smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301988676 971144175 /nfs/dbraw/zinc/14/41/75/971144175.db2.gz OAHUMNGQJYONID-UHFFFAOYSA-N 2 0 400.542 3.603 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157154 971533632 /nfs/dbraw/zinc/53/36/32/971533632.db2.gz UMCQJPOYUSCSFC-LJQANCHMSA-N 2 0 400.592 3.607 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303164425 971537439 /nfs/dbraw/zinc/53/74/39/971537439.db2.gz FRVZLOQCUUNFTR-YADHBBJMSA-N 2 0 412.622 3.731 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000303429238 971711021 /nfs/dbraw/zinc/71/10/21/971711021.db2.gz FHNVXFUDEGDMPA-AAZCMCCISA-N 2 0 403.570 3.963 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000303451214 971751080 /nfs/dbraw/zinc/75/10/80/971751080.db2.gz ILZRTSMJPWHMTF-UHFFFAOYSA-N 2 0 400.611 3.915 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488658 971787306 /nfs/dbraw/zinc/78/73/06/971787306.db2.gz RRGFFINKCYLYRC-YUJQQNLTSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494116 971791605 /nfs/dbraw/zinc/79/16/05/971791605.db2.gz SVILFTRQSVYGTE-LRCWTOGTSA-N 2 0 412.622 3.848 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000303651613 971931000 /nfs/dbraw/zinc/93/10/00/971931000.db2.gz KOMXJPWYXBHNNH-NJYVYQBISA-N 2 0 400.611 3.879 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000303685830 971962317 /nfs/dbraw/zinc/96/23/17/971962317.db2.gz ZWBXNKYVQKEPJF-NRFANRHFSA-N 2 0 407.002 3.868 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000303687064 971963166 /nfs/dbraw/zinc/96/31/66/971963166.db2.gz KSIIGGRPLUFNKQ-UHFFFAOYSA-N 2 0 408.590 3.600 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303705342 971971520 /nfs/dbraw/zinc/97/15/20/971971520.db2.gz XYTUTLLZSSHYHS-SFTDATJTSA-N 2 0 420.601 3.958 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCc1ccccc1 ZINC000537660222 1013220380 /nfs/dbraw/zinc/22/03/80/1013220380.db2.gz BECYLAKDKOODRO-XMMPIXPASA-N 2 0 423.601 3.875 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692608 1013256860 /nfs/dbraw/zinc/25/68/60/1013256860.db2.gz KPMQYIYVNXGCDB-CEXWTWQISA-N 2 0 408.468 3.575 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000542320763 1013275780 /nfs/dbraw/zinc/27/57/80/1013275780.db2.gz JEWOIJCXAQCLNO-QGZVFWFLSA-N 2 0 417.435 3.843 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000542367375 1013322515 /nfs/dbraw/zinc/32/25/15/1013322515.db2.gz OYLSXKIFQTXSFW-HXUWFJFHSA-N 2 0 404.603 3.577 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000537810489 1013372381 /nfs/dbraw/zinc/37/23/81/1013372381.db2.gz RODKLWIXRKCPFD-JOCHJYFZSA-N 2 0 415.626 3.698 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553505448 1013406313 /nfs/dbraw/zinc/40/63/13/1013406313.db2.gz VPSFZSKDEHKWHE-SANMLTNESA-N 2 0 412.537 3.985 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000542464027 1013411470 /nfs/dbraw/zinc/41/14/70/1013411470.db2.gz WDZJLNZLDWUIJU-MSOLQXFVSA-N 2 0 400.567 3.606 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537882791 1013462034 /nfs/dbraw/zinc/46/20/34/1013462034.db2.gz YFNYJZULNRTAHC-IBGZPJMESA-N 2 0 409.578 3.727 20 0 HHADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000048711593 964035224 /nfs/dbraw/zinc/03/52/24/964035224.db2.gz VUAWCLPCQWAYMH-INIZCTEOSA-N 2 0 403.368 3.826 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532812 1013477131 /nfs/dbraw/zinc/47/71/31/1013477131.db2.gz SVROODGZMHGVKV-BXWFABGCSA-N 2 0 400.485 3.688 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531478 1013473894 /nfs/dbraw/zinc/47/38/94/1013473894.db2.gz KXYDJSZBGFJPMF-ZMSDIMECSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026174459 964474998 /nfs/dbraw/zinc/47/49/98/964474998.db2.gz OFYXGKIVRYSADO-NRFANRHFSA-N 2 0 420.601 3.919 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000542593103 1013532557 /nfs/dbraw/zinc/53/25/57/1013532557.db2.gz NCTMGZVZBMMKOH-UHFFFAOYSA-N 2 0 400.394 3.722 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(-c2ccncc2)c1 ZINC000537972883 1013549752 /nfs/dbraw/zinc/54/97/52/1013549752.db2.gz HMDVNAKOSMPOFV-IBGZPJMESA-N 2 0 402.542 3.891 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057152480 965312797 /nfs/dbraw/zinc/31/27/97/965312797.db2.gz KXFACQKYHZHCDQ-JOCHJYFZSA-N 2 0 406.574 3.598 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057174310 965326449 /nfs/dbraw/zinc/32/64/49/965326449.db2.gz QZHUYBYCRMVUPH-XMMPIXPASA-N 2 0 405.586 3.988 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057177592 965330443 /nfs/dbraw/zinc/33/04/43/965330443.db2.gz HVVPNQGHSQFBPS-UHFFFAOYSA-N 2 0 409.549 3.819 20 0 HHADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819217 965555231 /nfs/dbraw/zinc/55/52/31/965555231.db2.gz VOWCSXZFBSMYMW-QHCPKHFHSA-N 2 0 406.574 3.843 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000054919860 965699899 /nfs/dbraw/zinc/69/98/99/965699899.db2.gz FNQYBCNSRUCPCM-QFIPXVFZSA-N 2 0 410.562 3.902 20 0 HHADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513394 965713241 /nfs/dbraw/zinc/71/32/41/965713241.db2.gz LWJMVIZYNMISGT-FCHUYYIVSA-N 2 0 422.617 3.792 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000030660782 965758209 /nfs/dbraw/zinc/75/82/09/965758209.db2.gz GJJVHJOSJOSZKU-UHFFFAOYSA-N 2 0 401.558 3.891 20 0 HHADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000058509866 965763018 /nfs/dbraw/zinc/76/30/18/965763018.db2.gz WILWUAVZLMTTET-UHFFFAOYSA-N 2 0 422.573 3.606 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000059037720 965998464 /nfs/dbraw/zinc/99/84/64/965998464.db2.gz GELWIAZOIRTWHZ-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000060524112 966190522 /nfs/dbraw/zinc/19/05/22/966190522.db2.gz ZKCXPZYBLZOVFQ-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000060580474 966214568 /nfs/dbraw/zinc/21/45/68/966214568.db2.gz JUJQAHCMUPYCCH-ISKFKSNPSA-N 2 0 421.585 3.861 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc4[nH]c(=O)oc4c3)C(C)C)cn2)CC1 ZINC000538059806 1013636688 /nfs/dbraw/zinc/63/66/88/1013636688.db2.gz FYECDMPFLMIGRP-JOCHJYFZSA-N 2 0 409.534 3.557 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000056791849 966465588 /nfs/dbraw/zinc/46/55/88/966465588.db2.gz SZMRSGCQLPZBPZ-HSZRJFAPSA-N 2 0 416.610 3.594 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000039010989 966488986 /nfs/dbraw/zinc/48/89/86/966488986.db2.gz CKKLMSRGMKTVAA-UHFFFAOYSA-N 2 0 406.574 3.615 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000061567295 966504303 /nfs/dbraw/zinc/50/43/03/966504303.db2.gz VKUYHOZHGKCRKK-UHFFFAOYSA-N 2 0 411.615 3.989 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100478 1013669415 /nfs/dbraw/zinc/66/94/15/1013669415.db2.gz FQFYYDCYQOXPQB-LADGPHEKSA-N 2 0 409.574 3.879 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000538102628 1013670557 /nfs/dbraw/zinc/67/05/57/1013670557.db2.gz MNODIZMVBBRVAG-MRXNPFEDSA-N 2 0 421.994 3.550 20 0 HHADRP CCc1ccc([C@H](CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000063144298 966759710 /nfs/dbraw/zinc/75/97/10/966759710.db2.gz KWVNSSQWJRAVOS-DEOSSOPVSA-N 2 0 424.658 3.980 20 0 HHADRP CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441630 966858622 /nfs/dbraw/zinc/85/86/22/966858622.db2.gz ZXZYHJODNDIBNF-UHFFFAOYSA-O 2 0 422.618 3.648 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000063464290 966867659 /nfs/dbraw/zinc/86/76/59/966867659.db2.gz XVUOSPNEXMGMBI-ISKFKSNPSA-N 2 0 408.590 3.809 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000043454714 966974376 /nfs/dbraw/zinc/97/43/76/966974376.db2.gz GHDLCPJGHVBCTH-UHFFFAOYSA-N 2 0 420.001 3.574 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000043490374 966983331 /nfs/dbraw/zinc/98/33/31/966983331.db2.gz DACBHMJBAOUKDA-HSZRJFAPSA-N 2 0 415.626 3.625 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000043665662 967009365 /nfs/dbraw/zinc/00/93/65/967009365.db2.gz QMOREYVKDOCRMG-QGZVFWFLSA-N 2 0 412.509 3.638 20 0 HHADRP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000542834360 1013697595 /nfs/dbraw/zinc/69/75/95/1013697595.db2.gz BPQFFUHROYSLBN-GMKZXUHWSA-N 2 0 407.558 3.662 20 0 HHADRP CC[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141419 1013703080 /nfs/dbraw/zinc/70/30/80/1013703080.db2.gz MITCBTRRNSJXOT-CYFREDJKSA-N 2 0 409.574 3.905 20 0 HHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OC(F)F ZINC000538143438 1013704478 /nfs/dbraw/zinc/70/44/78/1013704478.db2.gz GQBKPCCLARWXPU-KRWDZBQOSA-N 2 0 417.500 3.851 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000065428983 967461280 /nfs/dbraw/zinc/46/12/80/967461280.db2.gz CBZBDKIROFUVEM-IBGZPJMESA-N 2 0 413.562 3.612 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000065466327 967480023 /nfs/dbraw/zinc/48/00/23/967480023.db2.gz BTMISSHGDSTWLO-DEOSSOPVSA-N 2 0 424.589 3.524 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065518355 967503496 /nfs/dbraw/zinc/50/34/96/967503496.db2.gz QVSPWPRJXQIXCR-XJUOHMSHSA-N 2 0 400.611 3.566 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065518445 967503675 /nfs/dbraw/zinc/50/36/75/967503675.db2.gz VJDSRTOEAMZQAR-RUZDIDTESA-N 2 0 420.601 3.994 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065521758 967505902 /nfs/dbraw/zinc/50/59/02/967505902.db2.gz QBBHZJQDZQABDO-RDPSFJRHSA-N 2 0 406.574 3.917 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000045640065 967523538 /nfs/dbraw/zinc/52/35/38/967523538.db2.gz SHZQPTBKQDUWTN-UHFFFAOYSA-N 2 0 414.981 3.865 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)c(C)n2n1 ZINC000538192751 1013750774 /nfs/dbraw/zinc/75/07/74/1013750774.db2.gz CFPBTPRPVZPSOQ-LJQANCHMSA-N 2 0 407.562 3.714 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000538206447 1013759938 /nfs/dbraw/zinc/75/99/38/1013759938.db2.gz OMHKGXVYUQFNAN-KHYOSLBOSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211285 1013764290 /nfs/dbraw/zinc/76/42/90/1013764290.db2.gz SWABPWOOGCRIGA-HOYKHHGWSA-N 2 0 424.564 3.638 20 0 HHADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000538218392 1013769799 /nfs/dbraw/zinc/76/97/99/1013769799.db2.gz WHLOCGJYLVPCGL-XZOQPEGZSA-N 2 0 406.636 3.667 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000554089543 1013793716 /nfs/dbraw/zinc/79/37/16/1013793716.db2.gz FVGQKVUWQIEWCO-FUHWJXTLSA-N 2 0 415.500 3.611 20 0 HHADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099616 1013797301 /nfs/dbraw/zinc/79/73/01/1013797301.db2.gz NUDFMWZZZACRDT-MRXNPFEDSA-N 2 0 419.791 3.648 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065866841 968688661 /nfs/dbraw/zinc/68/86/61/968688661.db2.gz AAPDHZILCBDTCF-FQEVSTJZSA-N 2 0 419.610 3.516 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000071922978 968889456 /nfs/dbraw/zinc/88/94/56/968889456.db2.gz OBQNSAUFTJHWCC-NJYVYQBISA-N 2 0 404.599 3.864 20 0 HHADRP CN(C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554237515 1013867407 /nfs/dbraw/zinc/86/74/07/1013867407.db2.gz KTMNVVZBVILLAS-PGGWPXBNSA-N 2 0 404.986 3.744 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000108596993 969397857 /nfs/dbraw/zinc/39/78/57/969397857.db2.gz WNGWFMREWRNHSF-HXUWFJFHSA-N 2 0 409.574 3.789 20 0 HHADRP COc1cccc([C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)c1 ZINC000108965978 969441543 /nfs/dbraw/zinc/44/15/43/969441543.db2.gz BRZVIKUCOFUILQ-XMMPIXPASA-N 2 0 407.558 3.858 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109015971 969449752 /nfs/dbraw/zinc/44/97/52/969449752.db2.gz NNKBPNGIGDJTSU-UPVQGACJSA-N 2 0 409.549 3.991 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000109562851 969533844 /nfs/dbraw/zinc/53/38/44/969533844.db2.gz ZUHRIOFBCWDMPL-FCHUYYIVSA-N 2 0 411.615 3.989 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1)C(C)C ZINC000110600765 969694945 /nfs/dbraw/zinc/69/49/45/969694945.db2.gz XYJKYOAXNYPOEF-VWLOTQADSA-N 2 0 422.617 3.635 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000554362675 1013921845 /nfs/dbraw/zinc/92/18/45/1013921845.db2.gz XQYBKHWXXWBJHE-GOSISDBHSA-N 2 0 401.526 3.951 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195720494 969980600 /nfs/dbraw/zinc/98/06/00/969980600.db2.gz YFQULKSMJKKNHF-ZEQRLZLVSA-N 2 0 424.589 3.743 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000195746326 969998047 /nfs/dbraw/zinc/99/80/47/969998047.db2.gz ZNLJOEOLPYGGNE-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000139690331 970042474 /nfs/dbraw/zinc/04/24/74/970042474.db2.gz LCPHIMXLBBCENX-GOSISDBHSA-N 2 0 406.621 3.624 20 0 HHADRP c1sc(-c2ccccn2)nc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236698999 970157818 /nfs/dbraw/zinc/15/78/18/970157818.db2.gz CBCTYRPFZXWHKO-UHFFFAOYSA-N 2 0 421.614 3.893 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)CC1 ZINC000236943659 970192032 /nfs/dbraw/zinc/19/20/32/970192032.db2.gz JPCZABWAASRNNK-UHFFFAOYSA-N 2 0 424.420 3.664 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236948286 970192938 /nfs/dbraw/zinc/19/29/38/970192938.db2.gz XDQCPUSVAREJMG-KRWDZBQOSA-N 2 0 404.002 3.506 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000236952368 970193645 /nfs/dbraw/zinc/19/36/45/970193645.db2.gz CVVCCDOZRVZAAK-LJQANCHMSA-N 2 0 418.029 3.565 20 0 HHADRP CCN(CC)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236968363 970196951 /nfs/dbraw/zinc/19/69/51/970196951.db2.gz GOWOTSZXGUXPEP-QHCPKHFHSA-N 2 0 408.590 3.520 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000237068344 970217297 /nfs/dbraw/zinc/21/72/97/970217297.db2.gz JYKDGWQMCADLDG-UHFFFAOYSA-N 2 0 403.574 3.752 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000237074593 970217923 /nfs/dbraw/zinc/21/79/23/970217923.db2.gz HNCCDZMZFWYCCM-UHFFFAOYSA-N 2 0 421.564 3.796 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000237168263 970234153 /nfs/dbraw/zinc/23/41/53/970234153.db2.gz ZGDDMRGHDAUUKD-UHFFFAOYSA-N 2 0 412.525 3.945 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000237170013 970235298 /nfs/dbraw/zinc/23/52/98/970235298.db2.gz QKAJBMHEWHTVPG-UHFFFAOYSA-N 2 0 417.601 3.714 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237197291 970239903 /nfs/dbraw/zinc/23/99/03/970239903.db2.gz YUYQYHCBYFHUEE-HSZRJFAPSA-N 2 0 421.585 3.660 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)c1)C1CCOCC1 ZINC000237205920 970241353 /nfs/dbraw/zinc/24/13/53/970241353.db2.gz HUFBPNDHDIODQF-UHFFFAOYSA-N 2 0 421.541 3.720 20 0 HHADRP COc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OCc1ccccc1 ZINC000237352098 970268383 /nfs/dbraw/zinc/26/83/83/970268383.db2.gz UFPMLIZYDBOVGB-UHFFFAOYSA-N 2 0 423.601 3.922 20 0 HHADRP COc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(-c2ccccc2)cc1OC ZINC000237368828 970271073 /nfs/dbraw/zinc/27/10/73/970271073.db2.gz SSUNLZMNIYMWPB-UHFFFAOYSA-N 2 0 411.590 3.734 20 0 HHADRP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)CN1CC[NH+](C)CC1 ZINC000237416429 970281072 /nfs/dbraw/zinc/28/10/72/970281072.db2.gz ALMAQIQIRIITMI-IBGZPJMESA-N 2 0 401.982 3.892 20 0 HHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000237588430 970317993 /nfs/dbraw/zinc/31/79/93/970317993.db2.gz IKOUHNJVHQRWIQ-HXUWFJFHSA-N 2 0 421.564 3.712 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000237610305 970321866 /nfs/dbraw/zinc/32/18/66/970321866.db2.gz GYAQZGFDVRFXHH-OALUTQOASA-N 2 0 417.594 3.963 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237673773 970335906 /nfs/dbraw/zinc/33/59/06/970335906.db2.gz PNNSDUIRFOXJCK-HXUWFJFHSA-N 2 0 404.986 3.528 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774243 970363920 /nfs/dbraw/zinc/36/39/20/970363920.db2.gz CSZVAXBXWNMRIK-OYRHEFFESA-N 2 0 419.573 3.913 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996360 970377536 /nfs/dbraw/zinc/37/75/36/970377536.db2.gz XFLGSDMQDAZRGA-APWZRJJASA-N 2 0 406.621 3.624 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3c(Cl)nc4ccccn43)CC2)c1 ZINC000237855702 970382506 /nfs/dbraw/zinc/38/25/06/970382506.db2.gz DHQQFSFSLNPPFV-UHFFFAOYSA-N 2 0 411.981 3.988 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000247964612 970494109 /nfs/dbraw/zinc/49/41/09/970494109.db2.gz GBWSOIHPADMFII-REHUZNOOSA-N 2 0 409.574 3.605 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000195601444 970543843 /nfs/dbraw/zinc/54/38/43/970543843.db2.gz IFEIIPRNUXMIQW-HSZRJFAPSA-N 2 0 416.610 3.786 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000252147095 970554402 /nfs/dbraw/zinc/55/44/02/970554402.db2.gz OBQNSAUFTJHWCC-NJDAHSKKSA-N 2 0 404.599 3.864 20 0 HHADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000397502737 972872019 /nfs/dbraw/zinc/87/20/19/972872019.db2.gz APBJSYUJBTYYSJ-UHFFFAOYSA-N 2 0 403.364 3.874 20 0 HHADRP C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000410409838 974008840 /nfs/dbraw/zinc/00/88/40/974008840.db2.gz UJNWBYNDZSBMRJ-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000426158426 974272763 /nfs/dbraw/zinc/27/27/63/974272763.db2.gz CIFULSVVPUYMLP-NRFANRHFSA-N 2 0 400.567 3.643 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000426409405 974436254 /nfs/dbraw/zinc/43/62/54/974436254.db2.gz GZDUNDIDQGACIJ-OFNKIYASSA-N 2 0 411.590 3.690 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000426783860 974656659 /nfs/dbraw/zinc/65/66/59/974656659.db2.gz KSWNZXQMLLYEKM-RTBURBONSA-N 2 0 422.013 3.558 20 0 HHADRP CC(C)N(C(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000426785552 974658438 /nfs/dbraw/zinc/65/84/38/974658438.db2.gz QEYFBUYZMLUQJX-SFTDATJTSA-N 2 0 401.595 3.639 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426802842 974672020 /nfs/dbraw/zinc/67/20/20/974672020.db2.gz YDJSHRGFCKJGST-ROUUACIJSA-N 2 0 407.986 3.880 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)cc2)CC1 ZINC000427595578 975205884 /nfs/dbraw/zinc/20/58/84/975205884.db2.gz DRWDLJFWYCEIEM-UHFFFAOYSA-N 2 0 406.574 3.985 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ncc(C(F)(F)F)cc43)cn2)CC1 ZINC000427622420 975214015 /nfs/dbraw/zinc/21/40/15/975214015.db2.gz RHYHLYXGNIPQTC-IBGZPJMESA-N 2 0 419.495 3.805 20 0 HHADRP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC000427646500 975223124 /nfs/dbraw/zinc/22/31/24/975223124.db2.gz RNWGASRWIFKCJH-UHFFFAOYSA-N 2 0 422.554 3.507 20 0 HHADRP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)CCS2 ZINC000427881334 975331904 /nfs/dbraw/zinc/33/19/04/975331904.db2.gz IDHHNLWNNNFVTC-YADHBBJMSA-N 2 0 411.615 3.719 20 0 HHADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000428217544 975540660 /nfs/dbraw/zinc/54/06/60/975540660.db2.gz JUGNEAYZXQHCQY-UHFFFAOYSA-N 2 0 412.578 3.567 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000428273331 975587365 /nfs/dbraw/zinc/58/73/65/975587365.db2.gz ZTRSPCYDEJKXMZ-URXFXBBRSA-N 2 0 408.590 3.861 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283285 975596791 /nfs/dbraw/zinc/59/67/91/975596791.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 2 0 420.601 3.787 20 0 HHADRP CC(C)O[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000428369174 975688152 /nfs/dbraw/zinc/68/81/52/975688152.db2.gz HOCGEFMYRSCMQV-XMMPIXPASA-N 2 0 415.622 3.857 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079314 976364067 /nfs/dbraw/zinc/36/40/67/976364067.db2.gz AGZYRCAIKPQHBB-XUZZJYLKSA-N 2 0 405.586 3.925 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591082 /nfs/dbraw/zinc/59/10/82/976591082.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 2 0 423.601 3.938 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494173 976751748 /nfs/dbraw/zinc/75/17/48/976751748.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 2 0 400.611 3.584 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498014 976755512 /nfs/dbraw/zinc/75/55/12/976755512.db2.gz ZCZIAAIBQLQDRO-QFIPXVFZSA-N 2 0 400.611 3.631 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000430020118 977275789 /nfs/dbraw/zinc/27/57/89/977275789.db2.gz IZKJXNUSLUIQQF-WOJBJXKFSA-N 2 0 420.557 3.780 20 0 HHADRP COc1ccccc1-c1ncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000430242681 977414167 /nfs/dbraw/zinc/41/41/67/977414167.db2.gz SHCKZNGALKLHAV-BGYRXZFFSA-N 2 0 424.589 3.864 20 0 HHADRP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000430932462 977896612 /nfs/dbraw/zinc/89/66/12/977896612.db2.gz YWDGJLVEESLSFA-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430958426 977913187 /nfs/dbraw/zinc/91/31/87/977913187.db2.gz XURBAXKIVMWJML-UHFFFAOYSA-N 2 0 414.638 3.678 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430978965 977924627 /nfs/dbraw/zinc/92/46/27/977924627.db2.gz MIRSIKJZNCOZIC-RLLQIKCJSA-N 2 0 400.592 3.703 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C(F)(F)F)C1 ZINC000431036419 977969508 /nfs/dbraw/zinc/96/95/08/977969508.db2.gz WFXVWLJWWDZVAR-RTBURBONSA-N 2 0 411.512 3.807 20 0 HHADRP Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000431110676 978024680 /nfs/dbraw/zinc/02/46/80/978024680.db2.gz HZNZSKVIJAJMIK-UHFFFAOYSA-N 2 0 424.593 3.766 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1 ZINC000431127282 978035233 /nfs/dbraw/zinc/03/52/33/978035233.db2.gz JQOYGPBHHQVCFC-UHFFFAOYSA-N 2 0 412.582 3.622 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431672888 978427171 /nfs/dbraw/zinc/42/71/71/978427171.db2.gz JLLAAEMJMFZAGT-YFXJRYMSSA-N 2 0 412.553 3.781 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000431691682 978438691 /nfs/dbraw/zinc/43/86/91/978438691.db2.gz LRCVUEKGLXFFDU-UGKGYDQZSA-N 2 0 412.578 3.714 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000431774664 978502816 /nfs/dbraw/zinc/50/28/16/978502816.db2.gz FTNAIFXSXWFJJA-XMMPIXPASA-N 2 0 413.606 3.821 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000431903448 978588697 /nfs/dbraw/zinc/58/86/97/978588697.db2.gz UETYPNVVPGJPSJ-JXALWOEJSA-N 2 0 409.574 3.605 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914595 978597927 /nfs/dbraw/zinc/59/79/27/978597927.db2.gz SZBCSCOWTKTEJO-QHCPKHFHSA-N 2 0 410.606 3.701 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835931 978987806 /nfs/dbraw/zinc/98/78/06/978987806.db2.gz KFXTUMYQCFGJES-BWKNWUBXSA-N 2 0 405.586 3.954 20 0 HHADRP CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871650 978997369 /nfs/dbraw/zinc/99/73/69/978997369.db2.gz LWMHPONFWIZHBO-DENIHFKCSA-N 2 0 415.603 3.594 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023066 /nfs/dbraw/zinc/02/30/66/979023066.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 2 0 411.384 3.671 20 0 HHADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433074243 979059596 /nfs/dbraw/zinc/05/95/96/979059596.db2.gz HVGSQLVPKFRHGG-DEOSSOPVSA-N 2 0 424.585 3.561 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000433113479 979079478 /nfs/dbraw/zinc/07/94/78/979079478.db2.gz CKCFQGGVBUJSSY-IBGZPJMESA-N 2 0 402.583 3.745 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115940 979080378 /nfs/dbraw/zinc/08/03/78/979080378.db2.gz QGSABTFNHFSZTN-OAQYLSRUSA-N 2 0 421.585 3.688 20 0 HHADRP O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126785 979087033 /nfs/dbraw/zinc/08/70/33/979087033.db2.gz PRUDEJPOPQUNFI-XMMPIXPASA-N 2 0 403.570 3.994 20 0 HHADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167699 979111946 /nfs/dbraw/zinc/11/19/46/979111946.db2.gz OLEHFGQPMULLRC-JOCHJYFZSA-N 2 0 417.597 3.948 20 0 HHADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167700 979112041 /nfs/dbraw/zinc/11/20/41/979112041.db2.gz OLEHFGQPMULLRC-QFIPXVFZSA-N 2 0 417.597 3.948 20 0 HHADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172000 979116316 /nfs/dbraw/zinc/11/63/16/979116316.db2.gz CVBDTCNPWITEDC-NRFANRHFSA-N 2 0 423.576 3.861 20 0 HHADRP C[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433193793 979132667 /nfs/dbraw/zinc/13/26/67/979132667.db2.gz SHWNRDNOPHLMCN-FQEVSTJZSA-N 2 0 409.549 3.991 20 0 HHADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000433212151 979145178 /nfs/dbraw/zinc/14/51/78/979145178.db2.gz FWDIIZQWGSQFAX-UHFFFAOYSA-N 2 0 409.549 3.738 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433388566 979270199 /nfs/dbraw/zinc/27/01/99/979270199.db2.gz VBLNAEHLOONAAZ-UGKGYDQZSA-N 2 0 421.601 3.698 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433816621 979597619 /nfs/dbraw/zinc/59/76/19/979597619.db2.gz XXGSABNQJZCXGO-GOSISDBHSA-N 2 0 415.607 3.998 20 0 HHADRP CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434142051 979902044 /nfs/dbraw/zinc/90/20/44/979902044.db2.gz BFQZHOKWNHYKEF-XMMPIXPASA-N 2 0 407.558 3.789 20 0 HHADRP Cc1ccc(Cl)c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000434476327 980203881 /nfs/dbraw/zinc/20/38/81/980203881.db2.gz HRPVRTLNRQEEOZ-UHFFFAOYSA-N 2 0 401.942 3.686 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000436277003 981280867 /nfs/dbraw/zinc/28/08/67/981280867.db2.gz VPTSOKCUKYADKZ-UHFFFAOYSA-N 2 0 409.574 3.838 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218262 981633020 /nfs/dbraw/zinc/63/30/20/981633020.db2.gz UFWQRWWQCNXZIV-JRGCBEDISA-N 2 0 404.624 3.789 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448365745 981726038 /nfs/dbraw/zinc/72/60/38/981726038.db2.gz JUQVWUMRZUEICR-AUSIDOKSSA-N 2 0 414.594 3.888 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000448461320 981794498 /nfs/dbraw/zinc/79/44/98/981794498.db2.gz KJRGVICNCPNJFD-REWPJTCUSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000448463334 981797275 /nfs/dbraw/zinc/79/72/75/981797275.db2.gz ARKKLMMSFHHDJF-QMMLZNLJSA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469707 981809351 /nfs/dbraw/zinc/80/93/51/981809351.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@H](C)C1 ZINC000448519301 981845722 /nfs/dbraw/zinc/84/57/22/981845722.db2.gz CUORAGNBGADUMG-XMSQKQJNSA-N 2 0 421.029 3.924 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519680 981846733 /nfs/dbraw/zinc/84/67/33/981846733.db2.gz FHYAJUZIZGWOMQ-MXKPZRPRSA-N 2 0 416.635 3.789 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460387079 982166916 /nfs/dbraw/zinc/16/69/16/982166916.db2.gz OEGBBZJDPLKOLK-SMIHKQSGSA-N 2 0 412.622 3.518 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460411770 982195840 /nfs/dbraw/zinc/19/58/40/982195840.db2.gz ZZPCAEVNFWPCTH-DHIUTWEWSA-N 2 0 424.633 3.947 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000437625080 982246216 /nfs/dbraw/zinc/24/62/16/982246216.db2.gz OEHBYIRMQKSWDB-QGZVFWFLSA-N 2 0 416.488 3.508 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1)Cc1ccccc1 ZINC000438099540 982587390 /nfs/dbraw/zinc/58/73/90/982587390.db2.gz ZWUKWTFGIIIXEL-UHFFFAOYSA-N 2 0 422.548 3.767 20 0 HHADRP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186260 982640196 /nfs/dbraw/zinc/64/01/96/982640196.db2.gz GLFPWTKPXWEISO-QHCPKHFHSA-N 2 0 402.542 3.530 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000438213554 982656382 /nfs/dbraw/zinc/65/63/82/982656382.db2.gz YMLORKUYZKTSFA-UHFFFAOYSA-N 2 0 412.578 3.729 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006857 982720609 /nfs/dbraw/zinc/72/06/09/982720609.db2.gz JLMWMKHTMKGQFW-KZKAQZJJSA-N 2 0 424.589 3.872 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000438628591 982948891 /nfs/dbraw/zinc/94/88/91/982948891.db2.gz VRSINQZVQAFGAD-UHFFFAOYSA-N 2 0 410.562 3.755 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439680 983103832 /nfs/dbraw/zinc/10/38/32/983103832.db2.gz TYWUIIKMPWAKHV-PKTZIBPZSA-N 2 0 412.537 3.841 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000438846455 983113782 /nfs/dbraw/zinc/11/37/82/983113782.db2.gz BEIOSSBPCCDUMX-NJYVYQBISA-N 2 0 415.626 3.664 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC(C)C ZINC000438857668 983123506 /nfs/dbraw/zinc/12/35/06/983123506.db2.gz AFOZCAWDSFXLHL-SIKLNZKXSA-N 2 0 403.615 3.663 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977047 983189973 /nfs/dbraw/zinc/18/99/73/983189973.db2.gz SENSRXLBPBHSOY-HYBUGGRVSA-N 2 0 421.589 3.743 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000439088004 983244908 /nfs/dbraw/zinc/24/49/08/983244908.db2.gz SAEAYLQGGMBPIA-HXUWFJFHSA-N 2 0 424.589 3.512 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000439181719 983295773 /nfs/dbraw/zinc/29/57/73/983295773.db2.gz PODLXEWHZKBQHA-UHFFFAOYSA-N 2 0 400.592 3.617 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000439203970 983309088 /nfs/dbraw/zinc/30/90/88/983309088.db2.gz ZBFSDLBJOOEAFN-FQEVSTJZSA-N 2 0 421.589 3.702 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230502 983320594 /nfs/dbraw/zinc/32/05/94/983320594.db2.gz SAOLMVHWKIZKHE-QUCCMNQESA-N 2 0 400.592 3.657 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000439254767 983333978 /nfs/dbraw/zinc/33/39/78/983333978.db2.gz DQMZWMGGJPGEKU-UHFFFAOYSA-N 2 0 400.592 3.617 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000439301153 983352869 /nfs/dbraw/zinc/35/28/69/983352869.db2.gz ZTFZWTIKIDEDDR-GOSISDBHSA-N 2 0 402.608 3.951 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439361497 983379289 /nfs/dbraw/zinc/37/92/89/983379289.db2.gz VBKMRULPSCJSEJ-YLJYHZDGSA-N 2 0 420.648 3.966 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765065 983529642 /nfs/dbraw/zinc/52/96/42/983529642.db2.gz DRKCYOLPWHJVDG-NZQKXSOJSA-N 2 0 406.574 3.635 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1OC ZINC000439844535 983555711 /nfs/dbraw/zinc/55/57/11/983555711.db2.gz VMBOXMNVPSIVJV-FQEVSTJZSA-N 2 0 403.567 3.761 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000440094697 983642258 /nfs/dbraw/zinc/64/22/58/983642258.db2.gz JDRJCYTVZNUPSX-GHTZIAJQSA-N 2 0 413.566 3.582 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)c2)CC1 ZINC000440773151 983900402 /nfs/dbraw/zinc/90/04/02/983900402.db2.gz IMTJYHUQBASNNC-UHFFFAOYSA-N 2 0 400.611 3.838 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000441057616 984047747 /nfs/dbraw/zinc/04/77/47/984047747.db2.gz AHRBZVQMDVVHEG-FNZWTVRRSA-N 2 0 405.586 3.666 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441388362 984225232 /nfs/dbraw/zinc/22/52/32/984225232.db2.gz XHPPBXNSWZYYNT-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729206 984743695 /nfs/dbraw/zinc/74/36/95/984743695.db2.gz PTIINSZSTHFMNZ-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524628 985474663 /nfs/dbraw/zinc/47/46/63/985474663.db2.gz WQNCHMAUVCWVSS-PXDATVDWSA-N 2 0 420.601 3.513 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746905 985687756 /nfs/dbraw/zinc/68/77/56/985687756.db2.gz VJVKFEVWDKRXTF-PUHATCMVSA-N 2 0 400.611 3.660 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccc(F)cc2)CC1 ZINC000468071809 985729455 /nfs/dbraw/zinc/72/94/55/985729455.db2.gz RCBKEGPVABGBSN-VWLOTQADSA-N 3 0 418.645 3.995 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801256 985733867 /nfs/dbraw/zinc/73/38/67/985733867.db2.gz BLSAKQRDHYMQOE-VJBWXMMDSA-N 2 0 419.585 3.604 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000443599696 985776686 /nfs/dbraw/zinc/77/66/86/985776686.db2.gz KRGPBLDIVVYQAL-UHFFFAOYSA-N 2 0 400.567 3.540 20 0 HHADRP COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443600960 985777727 /nfs/dbraw/zinc/77/77/27/985777727.db2.gz JBIJFOSBDQVTAK-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000443636093 985819486 /nfs/dbraw/zinc/81/94/86/985819486.db2.gz BJBJXKZNYHWKFP-SRYPRDQNSA-N 2 0 400.611 3.646 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443645998 985837852 /nfs/dbraw/zinc/83/78/52/985837852.db2.gz CLJXEMCHVPQDHU-DVECYGJZSA-N 2 0 408.590 3.897 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463008320 985961492 /nfs/dbraw/zinc/96/14/92/985961492.db2.gz GRMSLWYFZDXLKE-YKSBVNFPSA-N 2 0 408.590 3.800 20 0 HHADRP Cc1ccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000463073118 986030583 /nfs/dbraw/zinc/03/05/83/986030583.db2.gz GWTLQCYCIZNGGX-AREMUKBSSA-N 2 0 407.602 3.665 20 0 HHADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000463292060 986259270 /nfs/dbraw/zinc/25/92/70/986259270.db2.gz ZCWSXXKYFDQIOV-BRDMEDAHSA-N 2 0 418.629 3.982 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468656120 986367370 /nfs/dbraw/zinc/36/73/70/986367370.db2.gz RTLMUGIQVOXYAL-KRWDZBQOSA-N 2 0 418.379 3.967 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000463628484 986604247 /nfs/dbraw/zinc/60/42/47/986604247.db2.gz LKFSSCZGOILXEL-SFHVURJKSA-N 2 0 424.511 3.685 20 0 HHADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468909309 986616244 /nfs/dbraw/zinc/61/62/44/986616244.db2.gz KCPVKCIGWHDUKQ-SLFFLAALSA-N 2 0 413.587 3.753 20 0 HHADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909531 986616426 /nfs/dbraw/zinc/61/64/26/986616426.db2.gz KCPVKCIGWHDUKQ-XUVXKRRUSA-N 2 0 413.587 3.753 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000469039293 986749299 /nfs/dbraw/zinc/74/92/99/986749299.db2.gz PIFXHPNKOJVCBI-GHTZIAJQSA-N 2 0 412.544 3.537 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000469233627 986954292 /nfs/dbraw/zinc/95/42/92/986954292.db2.gz RUNWPMUXJDATLE-UHFFFAOYSA-N 2 0 424.589 3.960 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469334363 987042502 /nfs/dbraw/zinc/04/25/02/987042502.db2.gz NBFICJXERJBXAC-XMMPIXPASA-N 2 0 415.541 3.769 20 0 HHADRP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367106 987064714 /nfs/dbraw/zinc/06/47/14/987064714.db2.gz JKVZYQIGWXERQP-DHIUTWEWSA-N 2 0 412.578 3.586 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000469425002 987113122 /nfs/dbraw/zinc/11/31/22/987113122.db2.gz VJZMRSMYOHAGPR-DEOSSOPVSA-N 2 0 423.605 3.502 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469554899 987226230 /nfs/dbraw/zinc/22/62/30/987226230.db2.gz UQNSBIWGAWQQTD-HXUWFJFHSA-N 2 0 403.452 3.987 20 0 HHADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000445219207 987284337 /nfs/dbraw/zinc/28/43/37/987284337.db2.gz RYABECCJVRORMJ-DENIHFKCSA-N 2 0 400.611 3.926 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000469758446 987412026 /nfs/dbraw/zinc/41/20/26/987412026.db2.gz REXAWALTRLBGOI-ACWUQQCTSA-N 2 0 405.586 3.708 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000469765375 987417849 /nfs/dbraw/zinc/41/78/49/987417849.db2.gz TZFWZLDOJPWFIN-GZOXUSKESA-N 2 0 419.569 3.809 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463956398 988068335 /nfs/dbraw/zinc/06/83/35/988068335.db2.gz ZFRQRPIDJPEZKP-IFMALSPDSA-N 2 0 410.562 3.723 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000463965854 988079136 /nfs/dbraw/zinc/07/91/36/988079136.db2.gz BFDHCIPLMXUFGQ-VQTJNVASSA-N 2 0 400.592 3.514 20 0 HHADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000470260772 988207916 /nfs/dbraw/zinc/20/79/16/988207916.db2.gz HOCMXIGIAHDKKH-SFHVURJKSA-N 2 0 400.538 3.759 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470286165 988242732 /nfs/dbraw/zinc/24/27/32/988242732.db2.gz VYHKBBVCXFEIGQ-RBUKOAKNSA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000470289029 988246983 /nfs/dbraw/zinc/24/69/83/988246983.db2.gz LBSHOIYINTVWQW-XPWALMASSA-N 2 0 400.611 3.800 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C(C)C ZINC000470508843 988506470 /nfs/dbraw/zinc/50/64/70/988506470.db2.gz YLZKBCUKGBDNSD-UHFFFAOYSA-N 2 0 402.627 3.845 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552541 988566019 /nfs/dbraw/zinc/56/60/19/988566019.db2.gz XJWJXTXVQLFFPQ-WSTZPKSXSA-N 2 0 411.512 3.772 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470601183 988618529 /nfs/dbraw/zinc/61/85/29/988618529.db2.gz UUQBXAVHFIZSRU-LJQANCHMSA-N 2 0 423.479 3.679 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2)CC1 ZINC000470728745 988758532 /nfs/dbraw/zinc/75/85/32/988758532.db2.gz XTLQXBLVKCVUAC-DEOSSOPVSA-N 2 0 412.622 3.792 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470731627 988763559 /nfs/dbraw/zinc/76/35/59/988763559.db2.gz FQOFEPLUKWGKBH-GOTSBHOMSA-N 2 0 412.553 3.734 20 0 HHADRP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470750308 988791226 /nfs/dbraw/zinc/79/12/26/988791226.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 2 0 408.590 3.815 20 0 HHADRP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770203 988993596 /nfs/dbraw/zinc/99/35/96/988993596.db2.gz FQXIFGZWVGPEQK-VXKWHMMOSA-N 2 0 403.636 3.682 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000464825398 989063861 /nfs/dbraw/zinc/06/38/61/989063861.db2.gz WVHJCJMBAJWOJA-OAQYLSRUSA-N 2 0 400.611 3.696 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000471001704 989068227 /nfs/dbraw/zinc/06/82/27/989068227.db2.gz RLRCDGSVOYYRMF-AUSIDOKSSA-N 2 0 424.589 3.583 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000471029132 989101366 /nfs/dbraw/zinc/10/13/66/989101366.db2.gz FXXZKJPZFLKBRC-UHFFFAOYSA-N 2 0 422.573 3.744 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000464946263 989238105 /nfs/dbraw/zinc/23/81/05/989238105.db2.gz HBVNEOJGRTUJAJ-HSZRJFAPSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471230017 989373917 /nfs/dbraw/zinc/37/39/17/989373917.db2.gz KCTKLILBBBDZJS-GOSISDBHSA-N 2 0 415.528 3.986 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465430297 989775522 /nfs/dbraw/zinc/77/55/22/989775522.db2.gz GZZLNGWVANCJRP-RZUBCFFCSA-N 2 0 414.619 3.603 20 0 HHADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431593 989776688 /nfs/dbraw/zinc/77/66/88/989776688.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 2 0 406.574 3.567 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465523682 989878326 /nfs/dbraw/zinc/87/83/26/989878326.db2.gz LGHIIRGVSMOSBH-TZIWHRDSSA-N 2 0 400.592 3.514 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000465534727 989896831 /nfs/dbraw/zinc/89/68/31/989896831.db2.gz SSMFMSITXTYKTR-MZKRTTBSSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465535289 989898416 /nfs/dbraw/zinc/89/84/16/989898416.db2.gz AKSOEXCWGRUFFJ-HDAAZOAOSA-N 2 0 406.640 3.798 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734041 989930175 /nfs/dbraw/zinc/93/01/75/989930175.db2.gz FHJUIFCJOMJUPC-FAEJEUNOSA-N 2 0 418.548 3.601 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000465568387 989936306 /nfs/dbraw/zinc/93/63/06/989936306.db2.gz KJSGVEWUTAGXKW-RTWAWAEBSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593565 989972060 /nfs/dbraw/zinc/97/20/60/989972060.db2.gz GKWUPKNBIUOTSI-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465593675 989973226 /nfs/dbraw/zinc/97/32/26/989973226.db2.gz GUHFJLLCPHGERW-SBHAEUEKSA-N 2 0 406.640 3.942 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000465615432 990002085 /nfs/dbraw/zinc/00/20/85/990002085.db2.gz KMKQWMBEIKQLEG-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617854 990004102 /nfs/dbraw/zinc/00/41/02/990004102.db2.gz DPLUOXJESIUMTF-UNMCSNQZSA-N 2 0 414.619 3.952 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000471858756 990031394 /nfs/dbraw/zinc/03/13/94/990031394.db2.gz SUZHZOBYEVTPJN-UHFFFAOYSA-N 2 0 407.002 3.822 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000465676576 990062212 /nfs/dbraw/zinc/06/22/12/990062212.db2.gz ABQODXUZCRXDIO-GGAORHGYSA-N 2 0 400.611 3.662 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000471962625 990127961 /nfs/dbraw/zinc/12/79/61/990127961.db2.gz FLICYGLEHYLMIJ-BJKOFHAPSA-N 2 0 422.573 3.899 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000465753812 990140009 /nfs/dbraw/zinc/14/00/09/990140009.db2.gz MBIGNFMGROPLCG-MQSCRBSSSA-N 2 0 400.611 3.660 20 0 HHADRP CN1CCC(CNC(=O)NCCCc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000465778665 990161258 /nfs/dbraw/zinc/16/12/58/990161258.db2.gz BWKBGMPGRKPAQQ-UHFFFAOYSA-N 2 0 407.002 3.522 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000465793755 990175535 /nfs/dbraw/zinc/17/55/35/990175535.db2.gz WINVHYMXZYJFCC-QHCPKHFHSA-N 2 0 400.611 3.936 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000465802922 990184710 /nfs/dbraw/zinc/18/47/10/990184710.db2.gz ACUDIURRAXXKJN-GMAHTHKFSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465879378 990997841 /nfs/dbraw/zinc/99/78/41/990997841.db2.gz ZBPKVINZVGDMQD-NFBKMPQASA-N 2 0 400.611 3.503 20 0 HHADRP CN1CCC(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956196 991097078 /nfs/dbraw/zinc/09/70/78/991097078.db2.gz ONNYJPNLTLCBSH-DHIUTWEWSA-N 2 0 412.622 3.647 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962407 991106818 /nfs/dbraw/zinc/10/68/18/991106818.db2.gz YSKZGUOFZIYWTN-DHIUTWEWSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011097 991176254 /nfs/dbraw/zinc/17/62/54/991176254.db2.gz BTXCFJPPGUAPFH-FGZHOGPDSA-N 2 0 402.627 3.906 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228576 991450774 /nfs/dbraw/zinc/45/07/74/991450774.db2.gz WFAJGKJZHKDHBG-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228578 991451014 /nfs/dbraw/zinc/45/10/14/991451014.db2.gz WFAJGKJZHKDHBG-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466248277 991484053 /nfs/dbraw/zinc/48/40/53/991484053.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 2 0 420.601 3.513 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000466374586 991652879 /nfs/dbraw/zinc/65/28/79/991652879.db2.gz UCVLYBHCGINWKH-IYBDPMFKSA-N 2 0 404.352 3.743 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000466462290 991753207 /nfs/dbraw/zinc/75/32/07/991753207.db2.gz BRMPMXRBUCCPBS-UHFFFAOYSA-N 2 0 411.512 3.971 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466514668 991801387 /nfs/dbraw/zinc/80/13/87/991801387.db2.gz MFVNFIKDQCKASI-RBBKRZOGSA-N 2 0 421.589 3.531 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466541536 991847125 /nfs/dbraw/zinc/84/71/25/991847125.db2.gz RQQANMVALIPJKB-RBBKRZOGSA-N 2 0 421.589 3.613 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000466728362 992039214 /nfs/dbraw/zinc/03/92/14/992039214.db2.gz IINMJJVFZAUDBX-IRXDYDNUSA-N 2 0 416.484 3.785 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000466932781 992244081 /nfs/dbraw/zinc/24/40/81/992244081.db2.gz LZXBFLDJAKFUNL-UHFFFAOYSA-N 2 0 409.574 3.770 20 0 HHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466933782 992245022 /nfs/dbraw/zinc/24/50/22/992245022.db2.gz ACEXFLSJXXTMLX-UHFFFAOYSA-N 2 0 402.560 3.765 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096140 992401815 /nfs/dbraw/zinc/40/18/15/992401815.db2.gz XJVHMWYDBDQZAF-NRFANRHFSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467203669 992528668 /nfs/dbraw/zinc/52/86/68/992528668.db2.gz WXTJKIIHUUJYTL-LEWJYISDSA-N 2 0 423.601 3.982 20 0 HHADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000467208229 992533063 /nfs/dbraw/zinc/53/30/63/992533063.db2.gz RSWBPDFVHKBFDI-RTWAWAEBSA-N 2 0 423.601 3.982 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccnn1-c1ccccc1 ZINC000467336848 992658049 /nfs/dbraw/zinc/65/80/49/992658049.db2.gz RVAQEWMVPKWPOS-FQEVSTJZSA-N 2 0 417.557 3.549 20 0 HHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000467378369 992694824 /nfs/dbraw/zinc/69/48/24/992694824.db2.gz VDEJQKFHIKMZQG-LEWJYISDSA-N 2 0 400.611 3.633 20 0 HHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000467388375 992701976 /nfs/dbraw/zinc/70/19/76/992701976.db2.gz KYRVLVHKXDQJOO-GOSISDBHSA-N 2 0 406.496 3.833 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000467438437 992734916 /nfs/dbraw/zinc/73/49/16/992734916.db2.gz GXSDUQAZPXMEOY-UHFFFAOYSA-N 2 0 422.017 3.820 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000467739642 992988820 /nfs/dbraw/zinc/98/88/20/992988820.db2.gz HEDKVQLARAMFJZ-FQEVSTJZSA-N 2 0 421.354 3.918 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467839184 993070972 /nfs/dbraw/zinc/07/09/72/993070972.db2.gz MAEFWVCGELXJLG-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000472116888 993168795 /nfs/dbraw/zinc/16/87/95/993168795.db2.gz BYNKWJPCXZCIPS-BOMBAVFCSA-N 2 0 412.622 3.851 20 0 HHADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000472144721 993199492 /nfs/dbraw/zinc/19/94/92/993199492.db2.gz VUMKKAVRFCSILS-UHFFFAOYSA-N 2 0 417.619 3.841 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167575 993214233 /nfs/dbraw/zinc/21/42/33/993214233.db2.gz ACRQQWWHRYHHSN-UKILVPOCSA-N 2 0 420.601 3.718 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167559 993214337 /nfs/dbraw/zinc/21/43/37/993214337.db2.gz ACRQQWWHRYHHSN-ILBGXUMGSA-N 2 0 420.601 3.718 20 0 HHADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472305585 993317686 /nfs/dbraw/zinc/31/76/86/993317686.db2.gz MJUZOBAONJMYLN-QFIPXVFZSA-N 2 0 400.611 3.852 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313975 993325149 /nfs/dbraw/zinc/32/51/49/993325149.db2.gz LEOXRJMTPRVQES-DNQXCXABSA-N 2 0 412.622 3.662 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319209 993330703 /nfs/dbraw/zinc/33/07/03/993330703.db2.gz UHVNQOKJJACOEK-DQEYMECFSA-N 2 0 420.601 3.672 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000472384083 993379314 /nfs/dbraw/zinc/37/93/14/993379314.db2.gz GQGKBNWFIRTFTN-XMMPIXPASA-N 2 0 412.622 3.806 20 0 HHADRP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472387006 993382437 /nfs/dbraw/zinc/38/24/37/993382437.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 2 0 420.601 3.815 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)cn2)CC1 ZINC000480718905 993587257 /nfs/dbraw/zinc/58/72/57/993587257.db2.gz OPOXTLHKKLCEHM-HXUWFJFHSA-N 2 0 400.954 3.880 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3F)cc2)CC1 ZINC000480731812 993598305 /nfs/dbraw/zinc/59/83/05/993598305.db2.gz RKTDDHOXJZVAOW-GOSISDBHSA-N 2 0 415.553 3.831 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472684920 993606009 /nfs/dbraw/zinc/60/60/09/993606009.db2.gz RJYRSDWUQWGPCT-LJQANCHMSA-N 2 0 408.384 3.974 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480757489 993622721 /nfs/dbraw/zinc/62/27/21/993622721.db2.gz LINGNODMOOCBNZ-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000480759846 993624814 /nfs/dbraw/zinc/62/48/14/993624814.db2.gz PSSWREHEYICWLZ-CXAGYDPISA-N 2 0 412.315 3.579 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778989 993645697 /nfs/dbraw/zinc/64/56/97/993645697.db2.gz JIPBEBKVOUVWDE-BWKNWUBXSA-N 2 0 403.574 3.902 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781026 993648673 /nfs/dbraw/zinc/64/86/73/993648673.db2.gz PYJAOLCKPIQLPI-GJZUVCINSA-N 2 0 422.617 3.553 20 0 HHADRP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000480911992 993768075 /nfs/dbraw/zinc/76/80/75/993768075.db2.gz PKYRPLCJCVARQF-WOJBJXKFSA-N 2 0 407.624 3.634 20 0 HHADRP C[C@@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000472958145 993890706 /nfs/dbraw/zinc/89/07/06/993890706.db2.gz HPWUIHNYPSVFML-QFIPXVFZSA-N 2 0 422.617 3.903 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000481184283 994015276 /nfs/dbraw/zinc/01/52/76/994015276.db2.gz BDOMPGZMFVUHNG-LMNJBCLMSA-N 2 0 422.491 3.945 20 0 HHADRP O=C(CCc1cc(Cl)cc(Cl)c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000481235651 994064642 /nfs/dbraw/zinc/06/46/42/994064642.db2.gz OHXDLGCAZKOLQK-UHFFFAOYSA-N 2 0 421.372 3.650 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000481237820 994066888 /nfs/dbraw/zinc/06/68/88/994066888.db2.gz CNRJJDBUFVXHJB-LJQANCHMSA-N 2 0 424.593 3.558 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000481245651 994072597 /nfs/dbraw/zinc/07/25/97/994072597.db2.gz IAZZPFPKASEFMS-DNVCBOLYSA-N 2 0 415.379 3.934 20 0 HHADRP CC[NH+]1CCC(NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000481255943 994079114 /nfs/dbraw/zinc/07/91/14/994079114.db2.gz MMIIFUHBVFDHMA-UHFFFAOYSA-N 2 0 408.590 3.862 20 0 HHADRP C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000481553250 994386721 /nfs/dbraw/zinc/38/67/21/994386721.db2.gz RTMJUWXZORBDCP-CQSZACIVSA-N 2 0 421.335 3.969 20 0 HHADRP C[NH+]1CCC(CNC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000481696480 994556891 /nfs/dbraw/zinc/55/68/91/994556891.db2.gz NMNRGSBUZXPGHB-UHFFFAOYSA-N 2 0 408.590 3.720 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481712551 994573622 /nfs/dbraw/zinc/57/36/22/994573622.db2.gz BBIBZGQOBPEVQJ-INIZCTEOSA-N 2 0 407.605 3.682 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000481729904 994588276 /nfs/dbraw/zinc/58/82/76/994588276.db2.gz YOJRWBDNZRHCBC-WRHNGFHOSA-N 2 0 400.588 3.995 20 0 HHADRP CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000481835936 994687580 /nfs/dbraw/zinc/68/75/80/994687580.db2.gz IUBQGWVYJWCHHV-IBGZPJMESA-N 2 0 424.427 3.691 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000473828605 994759660 /nfs/dbraw/zinc/75/96/60/994759660.db2.gz XTUCCSZPSBGZGS-NRFANRHFSA-N 2 0 413.566 3.626 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906143 994778231 /nfs/dbraw/zinc/77/82/31/994778231.db2.gz CONCBHKCVALYPR-IRLDBZIGSA-N 2 0 412.622 3.992 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000482111477 995058293 /nfs/dbraw/zinc/05/82/93/995058293.db2.gz CODVYVJAKULPRC-QGZVFWFLSA-N 2 0 420.504 3.555 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H](C)C1 ZINC000482113779 995061106 /nfs/dbraw/zinc/06/11/06/995061106.db2.gz ZDPWPNAUSQCHQU-XXBNENTESA-N 2 0 410.562 3.561 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000474134648 995111095 /nfs/dbraw/zinc/11/10/95/995111095.db2.gz JDJDYRUVRSVNBT-AOMIVXANSA-N 2 0 414.594 3.538 20 0 HHADRP CC(C)[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000482213172 995197240 /nfs/dbraw/zinc/19/72/40/995197240.db2.gz OJHKSNZKHNTMAY-DEOSSOPVSA-N 2 0 415.622 3.684 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)c(C)c2c1 ZINC000482238635 995221794 /nfs/dbraw/zinc/22/17/94/995221794.db2.gz AORNMSRJOAMRIC-QGZVFWFLSA-N 2 0 409.530 3.892 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCSc3c(Cl)cccc32)c1 ZINC000482258703 995236401 /nfs/dbraw/zinc/23/64/01/995236401.db2.gz FZPMARMCMWPGOM-IBGZPJMESA-N 2 0 403.979 3.958 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482293372 995272443 /nfs/dbraw/zinc/27/24/43/995272443.db2.gz RYMRGKNNCWDGQS-DQEYMECFSA-N 2 0 420.601 3.944 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1OC(F)(F)F ZINC000482434847 995427850 /nfs/dbraw/zinc/42/78/50/995427850.db2.gz GFSIJYZJOKCAEL-KRWDZBQOSA-N 2 0 423.483 3.628 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000474513521 995475120 /nfs/dbraw/zinc/47/51/20/995475120.db2.gz NGKMSLXWJDGPRF-SFTDATJTSA-N 2 0 412.622 3.803 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000482506986 995517757 /nfs/dbraw/zinc/51/77/57/995517757.db2.gz JGDUUNICWHCGEV-ROUUACIJSA-N 2 0 404.002 3.758 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482508888 995519125 /nfs/dbraw/zinc/51/91/25/995519125.db2.gz KAEUIDYIXYTEPE-YJBOKZPZSA-N 2 0 412.441 3.849 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)s2)cc1 ZINC000482540870 995549510 /nfs/dbraw/zinc/54/95/10/995549510.db2.gz ZXXKWTBPWJYTBL-QGZVFWFLSA-N 2 0 402.608 3.805 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000482544714 995552798 /nfs/dbraw/zinc/55/27/98/995552798.db2.gz UGHBQYPDMGKQFR-VUFWKLLHSA-N 2 0 403.567 3.727 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000482545796 995554401 /nfs/dbraw/zinc/55/44/01/995554401.db2.gz ZJVKPISMNGAMIH-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000482550657 995557808 /nfs/dbraw/zinc/55/78/08/995557808.db2.gz GEXSUGOWUWELIU-QZTJIDSGSA-N 2 0 408.525 3.570 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000482550492 995557889 /nfs/dbraw/zinc/55/78/89/995557889.db2.gz BZGNDTRRUSKCNP-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC3)cc1 ZINC000482550414 995558231 /nfs/dbraw/zinc/55/82/31/995558231.db2.gz QGWWYLVDJSKVDX-RTBURBONSA-N 2 0 412.603 3.673 20 0 HHADRP Clc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c(-n2cncn2)c1 ZINC000474605540 995561407 /nfs/dbraw/zinc/56/14/07/995561407.db2.gz ZMKNIVZZDXTJEL-UHFFFAOYSA-N 2 0 424.980 3.613 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000482555339 995563041 /nfs/dbraw/zinc/56/30/41/995563041.db2.gz XUBVHWWDHBABIW-KRWDZBQOSA-N 2 0 413.953 3.754 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562119 995568610 /nfs/dbraw/zinc/56/86/10/995568610.db2.gz PLYBLFRSQAIPML-MISYRCLQSA-N 2 0 411.512 3.909 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000482565877 995571495 /nfs/dbraw/zinc/57/14/95/995571495.db2.gz OJXFYUWGLOJRHZ-FQEVSTJZSA-N 2 0 404.558 3.739 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570404 995575663 /nfs/dbraw/zinc/57/56/63/995575663.db2.gz WJHQWFXYMZBZQZ-MAUKXSAKSA-N 2 0 416.566 3.504 20 0 HHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCCO2 ZINC000482618793 995614591 /nfs/dbraw/zinc/61/45/91/995614591.db2.gz IBOYUYBWYKUUIX-FYYLOGMGSA-N 2 0 407.558 3.696 20 0 HHADRP Cc1c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482658438 995651572 /nfs/dbraw/zinc/65/15/72/995651572.db2.gz QLTHSOYTIULIRN-HUUCEWRRSA-N 2 0 410.393 3.774 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000482710537 995699208 /nfs/dbraw/zinc/69/92/08/995699208.db2.gz YALMJSSDRAITMB-QGZVFWFLSA-N 2 0 404.002 3.549 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704529 /nfs/dbraw/zinc/70/45/29/995704529.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 0 409.659 3.527 20 0 HHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482809058 995764247 /nfs/dbraw/zinc/76/42/47/995764247.db2.gz CEVUJIVBLNGVCY-APWZRJJASA-N 2 0 415.965 3.897 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)oc1C ZINC000482884605 995816975 /nfs/dbraw/zinc/81/69/75/995816975.db2.gz CLTOEOULQNXXNL-IBGZPJMESA-N 2 0 414.594 3.795 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000482887884 995819409 /nfs/dbraw/zinc/81/94/09/995819409.db2.gz LHVMTGPFMWAHPP-YYDVJCTNSA-N 2 0 409.565 3.656 20 0 HHADRP CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009680 995866297 /nfs/dbraw/zinc/86/62/97/995866297.db2.gz RNUQKIHOOREAJS-LADGPHEKSA-N 2 0 424.589 3.604 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475145261 995953070 /nfs/dbraw/zinc/95/30/70/995953070.db2.gz KMPYXRYGGZWBIX-XPNTWCBSSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475156959 995959017 /nfs/dbraw/zinc/95/90/17/995959017.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000475192528 995986939 /nfs/dbraw/zinc/98/69/39/995986939.db2.gz UEAZVRISKMRMCU-FQEVSTJZSA-N 2 0 400.611 3.993 20 0 HHADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000475214677 996001687 /nfs/dbraw/zinc/00/16/87/996001687.db2.gz QQELQMIWDSYGQA-SESVDKBCSA-N 2 0 417.395 3.926 20 0 HHADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475278689 996041169 /nfs/dbraw/zinc/04/11/69/996041169.db2.gz JJJPVMNBOFWTDD-UNMCSNQZSA-N 2 0 419.569 3.953 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000483328644 996101010 /nfs/dbraw/zinc/10/10/10/996101010.db2.gz BNWIYXWYBYOPBS-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@@H]1C ZINC000483692271 996331789 /nfs/dbraw/zinc/33/17/89/996331789.db2.gz LFHINYXDWLSOAU-NZQKXSOJSA-N 2 0 400.611 3.933 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737278 996335997 /nfs/dbraw/zinc/33/59/97/996335997.db2.gz LBPKYTAHOAQBKC-AHWVRZQESA-N 2 0 424.585 3.561 20 0 HHADRP Cc1ncc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000483722469 996349255 /nfs/dbraw/zinc/34/92/55/996349255.db2.gz DJBRNPWGFJWKKR-CQSZACIVSA-N 2 0 407.484 3.715 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483724825 996351115 /nfs/dbraw/zinc/35/11/15/996351115.db2.gz HKOXHKSFLSLDOS-FYZZASKESA-N 2 0 407.624 3.536 20 0 HHADRP C[N@H+](CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccc(F)cc1 ZINC000483778075 996381412 /nfs/dbraw/zinc/38/14/12/996381412.db2.gz UKBWXARTNQLNIA-UHFFFAOYSA-N 2 0 418.582 3.530 20 0 HHADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483997921 996513597 /nfs/dbraw/zinc/51/35/97/996513597.db2.gz BVWDDORJJOEJKX-UHFFFAOYSA-N 2 0 400.611 3.599 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024149 996527708 /nfs/dbraw/zinc/52/77/08/996527708.db2.gz IEBCPJZQHIZJIL-PZJWPPBQSA-N 2 0 404.574 3.554 20 0 HHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1SC ZINC000484298377 996687189 /nfs/dbraw/zinc/68/71/89/996687189.db2.gz LQPYPVARYDZMOX-INIZCTEOSA-N 2 0 407.624 3.694 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000476294198 996736214 /nfs/dbraw/zinc/73/62/14/996736214.db2.gz FWUJZYBUSDVOEX-CWAQXLGLSA-N 2 0 406.574 3.743 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488268 996809897 /nfs/dbraw/zinc/80/98/97/996809897.db2.gz UVZDEAJGKWNMBO-AOIWGVFYSA-N 2 0 413.400 3.943 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000476575783 997075320 /nfs/dbraw/zinc/07/53/20/997075320.db2.gz ZYQRISXNDWHSRI-UCBGAZFYSA-N 2 0 424.564 3.923 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624012 997143833 /nfs/dbraw/zinc/14/38/33/997143833.db2.gz HZCOJVPRTFKCRQ-HYBUGGRVSA-N 2 0 424.589 3.652 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000476874882 997452618 /nfs/dbraw/zinc/45/26/18/997452618.db2.gz SVLOBYOHKXDHRO-HSZRJFAPSA-N 2 0 412.553 3.914 20 0 HHADRP COc1ccc(COC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476975031 997594402 /nfs/dbraw/zinc/59/44/02/997594402.db2.gz QMGDHNFBZLOKSI-NFBKMPQASA-N 2 0 404.595 3.549 20 0 HHADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986392 997610776 /nfs/dbraw/zinc/61/07/76/997610776.db2.gz PTJXDNBQLKAIMA-REWPJTCUSA-N 2 0 404.595 3.549 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395653 997823446 /nfs/dbraw/zinc/82/34/46/997823446.db2.gz GLSCRBZWBAWCDA-ZRCGQRJVSA-N 2 0 400.611 3.648 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2sccc2C1 ZINC000485477328 997926457 /nfs/dbraw/zinc/92/64/57/997926457.db2.gz JJAHOBWRVNQNKV-UHFFFAOYSA-N 2 0 409.599 3.621 20 0 HHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486145988 998595334 /nfs/dbraw/zinc/59/53/34/998595334.db2.gz OGFHZAWLKVQLBU-JOCHJYFZSA-N 2 0 409.578 3.509 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000478035082 998726452 /nfs/dbraw/zinc/72/64/52/998726452.db2.gz CWJIIKUUPZUHFD-PKOBYXMFSA-N 2 0 403.533 3.764 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000478408803 998942275 /nfs/dbraw/zinc/94/22/75/998942275.db2.gz BFIYVDNIWXGIIG-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478416022 998946321 /nfs/dbraw/zinc/94/63/21/998946321.db2.gz INJLRWLZPBJFPK-XLIONFOSSA-N 2 0 424.992 3.893 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3C[NH+](C)C)cc2)C[C@@H]1C ZINC000486823117 998956972 /nfs/dbraw/zinc/95/69/72/998956972.db2.gz KRWUMNBIVAJNOM-SFTDATJTSA-N 2 0 423.601 3.687 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024703 999039950 /nfs/dbraw/zinc/03/99/50/999039950.db2.gz ADNAMLYLFKREKD-HUVFLSCGSA-N 2 0 408.590 3.808 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487061359 999051269 /nfs/dbraw/zinc/05/12/69/999051269.db2.gz DAZBASDFJPKKLT-WIYYLYMNSA-N 2 0 412.553 3.597 20 0 HHADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000487094724 999061094 /nfs/dbraw/zinc/06/10/94/999061094.db2.gz RDEZUHXKGDOYOV-YWZLYKJASA-N 2 0 404.505 3.607 20 0 HHADRP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000487094722 999061210 /nfs/dbraw/zinc/06/12/10/999061210.db2.gz RDEZUHXKGDOYOV-QRWLVFNGSA-N 2 0 404.505 3.607 20 0 HHADRP Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1F ZINC000487311674 999131764 /nfs/dbraw/zinc/13/17/64/999131764.db2.gz FAPXUAMNENESQD-UHFFFAOYSA-N 2 0 405.905 3.516 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830373 999164226 /nfs/dbraw/zinc/16/42/26/999164226.db2.gz KHKKYOGSWAONNX-DENIHFKCSA-N 2 0 412.578 3.715 20 0 HHADRP COCCC1(C[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000478911219 999206036 /nfs/dbraw/zinc/20/60/36/999206036.db2.gz MSFQQNGSQSVMCN-OAQYLSRUSA-N 2 0 415.622 3.732 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073368 999280903 /nfs/dbraw/zinc/28/09/03/999280903.db2.gz XUFUTZMPOHJVQL-XZOQPEGZSA-N 2 0 412.622 3.805 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000479076341 999282828 /nfs/dbraw/zinc/28/28/28/999282828.db2.gz YTSZWOFOOCIBFC-QGZVFWFLSA-N 2 0 421.632 3.575 20 0 HHADRP c1ccc(COc2cncc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2)cc1 ZINC000488309300 999433718 /nfs/dbraw/zinc/43/37/18/999433718.db2.gz FCVNASQDUFRJPT-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474396 999499282 /nfs/dbraw/zinc/49/92/82/999499282.db2.gz YJDJGKADWBNAQB-IEZKXTBUSA-N 2 0 405.586 3.925 20 0 HHADRP c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000488585673 999536473 /nfs/dbraw/zinc/53/64/73/999536473.db2.gz JKNOMQTUVPFIJW-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP c1cc(CN2CCC([NH+]3CCCC3)CC2)cc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000488585985 999536477 /nfs/dbraw/zinc/53/64/77/999536477.db2.gz JSEDIDCPOLTFHS-UHFFFAOYSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648223 999557662 /nfs/dbraw/zinc/55/76/62/999557662.db2.gz XKJBYELSZJEQHR-IEEQIXEPSA-N 2 0 410.606 3.555 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648220 999557701 /nfs/dbraw/zinc/55/77/01/999557701.db2.gz XKJBYELSZJEQHR-AYEXWZOKSA-N 2 0 410.606 3.555 20 0 HHADRP C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488963842 999659023 /nfs/dbraw/zinc/65/90/23/999659023.db2.gz XDMMEHPJLMYCCR-MVBJEAIPSA-N 2 0 410.606 3.698 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000480029803 999693418 /nfs/dbraw/zinc/69/34/18/999693418.db2.gz MYOGJRTVJCYKDF-OAQYLSRUSA-N 2 0 423.605 3.685 20 0 HHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480050523 999701729 /nfs/dbraw/zinc/70/17/29/999701729.db2.gz WBXQFAJUXWSFDV-QGZVFWFLSA-N 2 0 407.624 3.821 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075197 999710391 /nfs/dbraw/zinc/71/03/91/999710391.db2.gz ZQXPIMOTGGFBKN-NYMACZPPSA-N 2 0 423.601 3.569 20 0 HHADRP COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000489158355 999713605 /nfs/dbraw/zinc/71/36/05/999713605.db2.gz RMCVSYYXJPINFG-HXUWFJFHSA-N 2 0 409.574 3.605 20 0 HHADRP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000480159953 999733660 /nfs/dbraw/zinc/73/36/60/999733660.db2.gz NHFMPDSUGSVZJU-WMZHIEFXSA-N 2 0 417.619 3.965 20 0 HHADRP c1c[nH]c(C2CC[NH+](Cc3cccc(C[NH+]4CCC(c5ncc[nH]5)CC4)c3)CC2)n1 ZINC000489394985 999757875 /nfs/dbraw/zinc/75/78/75/999757875.db2.gz SATWCCQXYICOTH-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000489442885 999768399 /nfs/dbraw/zinc/76/83/99/999768399.db2.gz HGBNCQVKRPRSGZ-SANMLTNESA-N 2 0 420.601 3.816 20 0 HHADRP c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000489461953 999772290 /nfs/dbraw/zinc/77/22/90/999772290.db2.gz ZKQPGBAOWZEIKI-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000489520251 999783134 /nfs/dbraw/zinc/78/31/34/999783134.db2.gz CLPPYHMNTAKVCU-IEXUWNMDSA-N 2 0 424.589 3.508 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489534023 999786431 /nfs/dbraw/zinc/78/64/31/999786431.db2.gz NJYFLSUNSJJFII-OFNKIYASSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489534025 999786488 /nfs/dbraw/zinc/78/64/88/999786488.db2.gz NJYFLSUNSJJFII-REWPJTCUSA-N 2 0 400.611 3.660 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489632190 999806429 /nfs/dbraw/zinc/80/64/29/999806429.db2.gz GHBCLQJGBRGUSO-FQEVSTJZSA-N 2 0 409.574 3.716 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480536827 999821114 /nfs/dbraw/zinc/82/11/14/999821114.db2.gz DJPROJNFQJTUQW-OALUTQOASA-N 2 0 410.400 3.524 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742541 999829145 /nfs/dbraw/zinc/82/91/45/999829145.db2.gz JGPRSOLCMDPXPT-SKWRHMBASA-N 2 0 412.622 3.659 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602977 999838257 /nfs/dbraw/zinc/83/82/57/999838257.db2.gz QVTVGOFFACSMMH-RTBURBONSA-N 2 0 415.603 3.820 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480604068 999838686 /nfs/dbraw/zinc/83/86/86/999838686.db2.gz FLXNIJGPSPMAKF-QFBILLFUSA-N 2 0 402.583 3.942 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480621547 999843061 /nfs/dbraw/zinc/84/30/61/999843061.db2.gz FMCYHQCXLGOWLG-APWZRJJASA-N 2 0 402.583 3.942 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000480620626 999843095 /nfs/dbraw/zinc/84/30/95/999843095.db2.gz VPVFXDPXTMOZRC-FQEVSTJZSA-N 2 0 409.640 3.880 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000489860439 999850515 /nfs/dbraw/zinc/85/05/15/999850515.db2.gz CMVVTLCOHZZLON-QHCPKHFHSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489869744 999851872 /nfs/dbraw/zinc/85/18/72/999851872.db2.gz AJQALHSQONUHQR-SFTDATJTSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000480693684 999861122 /nfs/dbraw/zinc/86/11/22/999861122.db2.gz MUSVZGUJUYAFKQ-LJQANCHMSA-N 2 0 424.589 3.642 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000480713420 999866032 /nfs/dbraw/zinc/86/60/32/999866032.db2.gz MEOZHJRKTKJJJK-FQEVSTJZSA-N 2 0 422.495 3.720 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2C1 ZINC000490162591 999902591 /nfs/dbraw/zinc/90/25/91/999902591.db2.gz AGMUAKHFEGXWSP-SANMLTNESA-N 2 0 420.601 3.672 20 0 HHADRP C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490654856 999989301 /nfs/dbraw/zinc/98/93/01/999989301.db2.gz ZALHIRQLZDCHQD-RCZVLFRGSA-N 2 0 407.602 3.750 20 0 HHADRP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825909 1000012474 /nfs/dbraw/zinc/01/24/74/1000012474.db2.gz LKVWKXYOPCFHSA-SQJMNOBHSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825832 1000012489 /nfs/dbraw/zinc/01/24/89/1000012489.db2.gz LCPYLWVTKCOFLL-FPOVZHCZSA-N 2 0 410.562 3.659 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000491050250 1000039231 /nfs/dbraw/zinc/03/92/31/1000039231.db2.gz HDXUNHJYLBCGFL-NRFANRHFSA-N 2 0 421.354 3.972 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000491050251 1000039304 /nfs/dbraw/zinc/03/93/04/1000039304.db2.gz HDXUNHJYLBCGFL-OAQYLSRUSA-N 2 0 421.354 3.972 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000491082483 1000043571 /nfs/dbraw/zinc/04/35/71/1000043571.db2.gz WOTBZWQZZMTLDF-AUSIDOKSSA-N 2 0 416.610 3.592 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000504737745 1000348448 /nfs/dbraw/zinc/34/84/48/1000348448.db2.gz OWTWNQGUQLUSKC-UHFFFAOYSA-N 2 0 410.562 3.585 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000504738650 1000348824 /nfs/dbraw/zinc/34/88/24/1000348824.db2.gz YRYRDZOHZCUFGQ-JOCHJYFZSA-N 2 0 412.553 3.565 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505415041 1000757334 /nfs/dbraw/zinc/75/73/34/1000757334.db2.gz MSRDOXBAUOCFLL-OAQYLSRUSA-N 2 0 401.501 3.522 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000495088287 1000828460 /nfs/dbraw/zinc/82/84/60/1000828460.db2.gz UUZUMLIRBOGSIL-REWPJTCUSA-N 2 0 403.586 3.833 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604624 1000930150 /nfs/dbraw/zinc/93/01/50/1000930150.db2.gz SPAYDBHRJVLIDW-RBUKOAKNSA-N 2 0 407.530 3.624 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000496249189 1001147031 /nfs/dbraw/zinc/14/70/31/1001147031.db2.gz YUVUGWHYYRTWFI-HYBUGGRVSA-N 2 0 424.589 3.652 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000506046869 1001189484 /nfs/dbraw/zinc/18/94/84/1001189484.db2.gz DILGQILVQHKFIO-FQEVSTJZSA-N 2 0 419.585 3.560 20 0 HHADRP O=C([C@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000506047074 1001189498 /nfs/dbraw/zinc/18/94/98/1001189498.db2.gz GVLALPXANWCDPH-DEOSSOPVSA-N 2 0 413.606 3.565 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC[NH+](C)CC1 ZINC000506152495 1001250979 /nfs/dbraw/zinc/25/09/79/1001250979.db2.gz FOCDZMOSPBHBRG-OAQYLSRUSA-N 2 0 418.589 3.639 20 0 HHADRP Cc1[nH+]ccc(N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1Cl ZINC000497129795 1001273152 /nfs/dbraw/zinc/27/31/52/1001273152.db2.gz NNFBTFJEYBDQPN-UHFFFAOYSA-N 2 0 400.954 3.508 20 0 HHADRP C[N@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000506324594 1001354652 /nfs/dbraw/zinc/35/46/52/1001354652.db2.gz DIJPIANFMWCYQD-UHFFFAOYSA-N 2 0 404.574 3.555 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000506474438 1001428928 /nfs/dbraw/zinc/42/89/28/1001428928.db2.gz MTXLTYIIPLWZFY-IBGZPJMESA-N 2 0 413.484 3.744 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497866563 1001542078 /nfs/dbraw/zinc/54/20/78/1001542078.db2.gz FLKFDPOOYXNLKV-JXFKEZNVSA-N 2 0 406.368 3.747 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506869340 1001573554 /nfs/dbraw/zinc/57/35/54/1001573554.db2.gz ZCVCJVBXAQZVRY-UHFFFAOYSA-N 2 0 416.997 3.746 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000506886934 1001580762 /nfs/dbraw/zinc/58/07/62/1001580762.db2.gz YWXMHZDBVTUEBI-UHFFFAOYSA-N 2 0 401.595 3.632 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000506924628 1001596254 /nfs/dbraw/zinc/59/62/54/1001596254.db2.gz CTKAHFRMHFQVRO-UHFFFAOYSA-N 2 0 412.578 3.802 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000498031330 1001613997 /nfs/dbraw/zinc/61/39/97/1001613997.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 2 0 418.607 3.888 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498128999 1001653895 /nfs/dbraw/zinc/65/38/95/1001653895.db2.gz XWSNDZCNSOGXDG-HSALFYBXSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951171 1001724480 /nfs/dbraw/zinc/72/44/80/1001724480.db2.gz MSGRFDBVOVUBPT-KNKQGSTJSA-N 2 0 404.574 3.724 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952211 1001725212 /nfs/dbraw/zinc/72/52/12/1001725212.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 2 0 412.622 3.731 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000498460184 1001887753 /nfs/dbraw/zinc/88/77/53/1001887753.db2.gz AWHHCWNZROEJNY-HXUWFJFHSA-N 2 0 413.537 3.754 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618102 1002018772 /nfs/dbraw/zinc/01/87/72/1002018772.db2.gz MBWNPKBSVCRBNA-DHIUTWEWSA-N 2 0 407.558 3.613 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383258 1002038810 /nfs/dbraw/zinc/03/88/10/1002038810.db2.gz SJMCWZXNZQVDOW-MZKRTTBSSA-N 2 0 400.611 3.696 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498687376 1002074247 /nfs/dbraw/zinc/07/42/47/1002074247.db2.gz ATEGVHJRTRWUHK-NZQKXSOJSA-N 2 0 400.611 3.660 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CN1Cc1ccccc1 ZINC000507457378 1002081887 /nfs/dbraw/zinc/08/18/87/1002081887.db2.gz BHIYBSLPXXPGNY-ZKGSSEMHSA-N 2 0 403.570 3.535 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707574 1002091551 /nfs/dbraw/zinc/09/15/51/1002091551.db2.gz UOMXDJYAWMBEQM-REWPJTCUSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)N1Cc2ccccc2C1 ZINC000507522680 1002131692 /nfs/dbraw/zinc/13/16/92/1002131692.db2.gz BNCIZNLPVSJOMA-DSNGMDLFSA-N 2 0 403.570 3.809 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000498811949 1002196352 /nfs/dbraw/zinc/19/63/52/1002196352.db2.gz BSLICEPLYZRWKO-UHFFFAOYSA-N 2 0 408.333 3.722 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898945 1002289511 /nfs/dbraw/zinc/28/95/11/1002289511.db2.gz UCTVBKURGSOSKR-SXSPYAJSSA-N 2 0 412.553 3.781 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507898623 1002432444 /nfs/dbraw/zinc/43/24/44/1002432444.db2.gz ZBGHDSBXQNAJLW-UHFFFAOYSA-N 2 0 411.512 3.910 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102065 1002492999 /nfs/dbraw/zinc/49/29/99/1002492999.db2.gz QDSWICGKVVXSLQ-IGKWTDBASA-N 2 0 424.589 3.508 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499110639 1002501236 /nfs/dbraw/zinc/50/12/36/1002501236.db2.gz KYKGULWNXYFIJK-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000499112098 1002502119 /nfs/dbraw/zinc/50/21/19/1002502119.db2.gz NWOSUVKYAZXSPZ-MYSJAJEPSA-N 2 0 408.590 3.888 20 0 HHADRP c1csc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141847 1002526249 /nfs/dbraw/zinc/52/62/49/1002526249.db2.gz NLWZFCUGVHOHCD-GPJHCHHRSA-N 2 0 411.615 3.907 20 0 HHADRP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150778 1002534889 /nfs/dbraw/zinc/53/48/89/1002534889.db2.gz ZCWSXXKYFDQIOV-IGSOQLKZSA-N 2 0 418.629 3.982 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000499163503 1002549343 /nfs/dbraw/zinc/54/93/43/1002549343.db2.gz WFGSAQCLYRETPY-LGKQTMLJSA-N 3 0 418.629 3.589 20 0 HHADRP c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499237862 1002629185 /nfs/dbraw/zinc/62/91/85/1002629185.db2.gz PFWJDZLYDUXICL-NFGXINMFSA-N 2 0 419.613 3.715 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000499738275 1003083594 /nfs/dbraw/zinc/08/35/94/1003083594.db2.gz ZKZFSZZURAUZKR-NHCUHLMSSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690312 1003127650 /nfs/dbraw/zinc/12/76/50/1003127650.db2.gz JNIFAZFASUOBDH-RDPSFJRHSA-N 2 0 420.601 3.706 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713094 1003151886 /nfs/dbraw/zinc/15/18/86/1003151886.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 2 0 411.590 3.807 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874914 1003295071 /nfs/dbraw/zinc/29/50/71/1003295071.db2.gz VMXODEHPRJDQAM-LEOXJPRUSA-N 2 0 412.578 3.597 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508880791 1003301802 /nfs/dbraw/zinc/30/18/02/1003301802.db2.gz MKQQQVAGRDDEKL-NZQKXSOJSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000508882772 1003305976 /nfs/dbraw/zinc/30/59/76/1003305976.db2.gz RDCYLCFTEBGECK-XMSQKQJNSA-N 2 0 400.542 3.590 20 0 HHADRP Cc1c2cc(Cl)ccc2oc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500023080 1003349032 /nfs/dbraw/zinc/34/90/32/1003349032.db2.gz CHFHFIJBXJRFCW-UHFFFAOYSA-N 2 0 412.921 3.732 20 0 HHADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508915249 1003354940 /nfs/dbraw/zinc/35/49/40/1003354940.db2.gz FFJVFRBPKAZFHZ-YKSBVNFPSA-N 2 0 408.590 3.984 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000500137347 1003497175 /nfs/dbraw/zinc/49/71/75/1003497175.db2.gz IWIWALIBNYUPLS-UHFFFAOYSA-N 2 0 412.578 3.927 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000500138409 1003498139 /nfs/dbraw/zinc/49/81/39/1003498139.db2.gz LEOIRSLBWXUPGQ-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000500188859 1003535181 /nfs/dbraw/zinc/53/51/81/1003535181.db2.gz WTIHZMBBLNKTJJ-SANMLTNESA-N 2 0 405.586 3.952 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231496 1003641435 /nfs/dbraw/zinc/64/14/35/1003641435.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 2 0 411.512 3.678 20 0 HHADRP O=C(N1CCC([NH+]2CCCCC2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509338230 1003715359 /nfs/dbraw/zinc/71/53/59/1003715359.db2.gz PRXRBSNXWWJMCR-QFIPXVFZSA-N 2 0 423.523 3.918 20 0 HHADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000500444588 1003722216 /nfs/dbraw/zinc/72/22/16/1003722216.db2.gz VAQQVDWLIIXLBX-IRLDBZIGSA-N 2 0 401.595 3.513 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000500527543 1003764244 /nfs/dbraw/zinc/76/42/44/1003764244.db2.gz GZQPNKMSYWKUGN-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500787849 1003956681 /nfs/dbraw/zinc/95/66/81/1003956681.db2.gz RXPLMUFSQXOLAI-JOCHJYFZSA-N 2 0 401.599 3.594 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000509594881 1003967927 /nfs/dbraw/zinc/96/79/27/1003967927.db2.gz WASSJQCILADRFW-IBGZPJMESA-N 2 0 420.001 3.574 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594399 1003968218 /nfs/dbraw/zinc/96/82/18/1003968218.db2.gz FDGJDCUMBYRMJH-ILWGZMRPSA-N 2 0 412.578 3.872 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000500808492 1003970202 /nfs/dbraw/zinc/97/02/02/1003970202.db2.gz RLWDXDSPLCPQKA-XMMPIXPASA-N 2 0 421.589 3.777 20 0 HHADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)sc1Br ZINC000512135561 1004047975 /nfs/dbraw/zinc/04/79/75/1004047975.db2.gz LYSTUSXUQPNCLT-CQSZACIVSA-N 2 0 424.408 3.961 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000512152323 1004060877 /nfs/dbraw/zinc/06/08/77/1004060877.db2.gz MNORHSSNOBRKPX-DDOAZUFRSA-N 2 0 410.650 3.804 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000500957055 1004077181 /nfs/dbraw/zinc/07/71/81/1004077181.db2.gz XJOKYVWMZMLQHS-UHFFFAOYSA-N 2 0 423.601 3.661 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000500989049 1004098005 /nfs/dbraw/zinc/09/80/05/1004098005.db2.gz KKFCBGRSMLURFD-UHFFFAOYSA-N 2 0 424.992 3.546 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000509835228 1004134755 /nfs/dbraw/zinc/13/47/55/1004134755.db2.gz YWCLGHOWQDUWLJ-FCHUYYIVSA-N 2 0 400.588 3.861 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041104 1004142691 /nfs/dbraw/zinc/14/26/91/1004142691.db2.gz VQYJYQBROYXYRC-DEOSSOPVSA-N 2 0 406.574 3.984 20 0 HHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]2CCCC[C@H]12 ZINC000501056033 1004158551 /nfs/dbraw/zinc/15/85/51/1004158551.db2.gz DKGAHEYMPLLLKL-QJUOVVKFSA-N 2 0 420.686 3.586 20 0 HHADRP C[C@@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067440 1004169384 /nfs/dbraw/zinc/16/93/84/1004169384.db2.gz IWYTYNKDRNARIQ-QGZVFWFLSA-N 2 0 400.954 3.761 20 0 HHADRP COc1ccc([C@@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068083 1004170457 /nfs/dbraw/zinc/17/04/57/1004170457.db2.gz KOQDXIZNRCWIED-VWLOTQADSA-N 2 0 424.589 3.752 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068886 1004171402 /nfs/dbraw/zinc/17/14/02/1004171402.db2.gz ASGPMOLTEHLTFH-NZQKXSOJSA-N 2 0 400.611 3.660 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000501071461 1004174727 /nfs/dbraw/zinc/17/47/27/1004174727.db2.gz GKGZBORVUPTJEA-UHFFFAOYSA-N 2 0 422.658 3.564 20 0 HHADRP c1ccc(C[NH+]2CC[C@]3(CCN(C[C@H]4C[N@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284799 1004187110 /nfs/dbraw/zinc/18/71/10/1004187110.db2.gz DKCSGTMHDXJYSI-SXOMAYOGSA-N 2 0 419.613 3.876 20 0 HHADRP c1ccc(C[NH+]2CC[C@]3(CCN(C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284798 1004187335 /nfs/dbraw/zinc/18/73/35/1004187335.db2.gz DKCSGTMHDXJYSI-SVBPBHIXSA-N 2 0 419.613 3.876 20 0 HHADRP CC(C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130012 1004223400 /nfs/dbraw/zinc/22/34/00/1004223400.db2.gz BSXYXWPOCUFJQC-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391691 1004265528 /nfs/dbraw/zinc/26/55/28/1004265528.db2.gz GVISCIWCCQCJMG-PMVMPFDFSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393806 1004266703 /nfs/dbraw/zinc/26/67/03/1004266703.db2.gz VYNVOJOFMCWRGE-AKIFATBCSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512407530 1004276301 /nfs/dbraw/zinc/27/63/01/1004276301.db2.gz WGHXOGZWYFMWON-GGAORHGYSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425059 1004291361 /nfs/dbraw/zinc/29/13/61/1004291361.db2.gz WXXHBCGDFXEGHF-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353867 /nfs/dbraw/zinc/35/38/67/1004353867.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 2 0 411.384 3.671 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@H]3C2)cc1 ZINC000512612308 1004425689 /nfs/dbraw/zinc/42/56/89/1004425689.db2.gz OJOSIQFWSVWATN-SDHOMARFSA-N 2 0 405.586 3.914 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616823 1004429699 /nfs/dbraw/zinc/42/96/99/1004429699.db2.gz CTTFNOWIHKLAHM-VEYUFSJPSA-N 2 0 417.597 3.925 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CC1 ZINC000512649426 1004461038 /nfs/dbraw/zinc/46/10/38/1004461038.db2.gz RYQNYNYXGOAHIY-QJEZIUSSSA-N 2 0 411.634 3.844 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501492951 1004464176 /nfs/dbraw/zinc/46/41/76/1004464176.db2.gz XTNZHITZKXITJE-VWNXMTODSA-N 2 0 406.574 3.723 20 0 HHADRP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653965 1004466302 /nfs/dbraw/zinc/46/63/02/1004466302.db2.gz IGSFBTJYMCQLSB-GMKZXUHWSA-N 2 0 408.542 3.629 20 0 HHADRP C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527785 1004491726 /nfs/dbraw/zinc/49/17/26/1004491726.db2.gz MDUBRGKFFVOESI-OAQYLSRUSA-N 2 0 407.480 3.852 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512698707 1004502924 /nfs/dbraw/zinc/50/29/24/1004502924.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1OC ZINC000501627106 1004562637 /nfs/dbraw/zinc/56/26/37/1004562637.db2.gz RWROYIANPKBEQZ-UHFFFAOYSA-N 2 0 418.582 3.508 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1OC ZINC000501634838 1004567476 /nfs/dbraw/zinc/56/74/76/1004567476.db2.gz DNGQKWGBDRHUEZ-HXUWFJFHSA-N 2 0 418.582 3.508 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+]2CCCC2)o1 ZINC000510464496 1004584902 /nfs/dbraw/zinc/58/49/02/1004584902.db2.gz KQQPVUQAZIUPAE-HSZRJFAPSA-N 2 0 424.589 3.997 20 0 HHADRP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501667402 1004585760 /nfs/dbraw/zinc/58/57/60/1004585760.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 2 0 409.578 3.842 20 0 HHADRP FC(F)OC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589571 /nfs/dbraw/zinc/58/95/71/1004589571.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 2 0 404.448 3.809 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000510509486 1004632009 /nfs/dbraw/zinc/63/20/09/1004632009.db2.gz DLBLHANNDOCWJR-UGKGYDQZSA-N 2 0 400.611 3.981 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000501770156 1004707852 /nfs/dbraw/zinc/70/78/52/1004707852.db2.gz NGLGWDDVZZMCBN-FPOVZHCZSA-N 2 0 421.651 3.871 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501779752 1004719166 /nfs/dbraw/zinc/71/91/66/1004719166.db2.gz YRMYGCTWJIGTLN-OAQYLSRUSA-N 2 0 412.603 3.633 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510575640 1004722418 /nfs/dbraw/zinc/72/24/18/1004722418.db2.gz ZMHLPLYBNDACES-ZVDOUQERSA-N 2 0 402.583 3.759 20 0 HHADRP Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782857 1004723856 /nfs/dbraw/zinc/72/38/56/1004723856.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 2 0 409.578 3.842 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000501786095 1004728065 /nfs/dbraw/zinc/72/80/65/1004728065.db2.gz PIXKJSLGMAJOPS-INIZCTEOSA-N 2 0 410.400 3.680 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823780 1004759176 /nfs/dbraw/zinc/75/91/76/1004759176.db2.gz GQMUHIXPHVUECL-MQSCRBSSSA-N 2 0 400.611 3.881 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000513149429 1004832367 /nfs/dbraw/zinc/83/23/67/1004832367.db2.gz KTQADLOZABRCED-UHFFFAOYSA-N 2 0 424.564 3.818 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1)C1CC1 ZINC000510789582 1004853437 /nfs/dbraw/zinc/85/34/37/1004853437.db2.gz HFLWDBFFJIEZBW-UHFFFAOYSA-N 2 0 401.620 3.762 20 0 HHADRP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000513281830 1004893926 /nfs/dbraw/zinc/89/39/26/1004893926.db2.gz URNXFLQNJCRIMR-UHFFFAOYSA-N 2 0 419.997 3.610 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000513350485 1004922815 /nfs/dbraw/zinc/92/28/15/1004922815.db2.gz DUSBJTFHZQTJLZ-SFTDATJTSA-N 2 0 421.585 3.822 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502150447 1004925044 /nfs/dbraw/zinc/92/50/44/1004925044.db2.gz SWMNETLJFPTOMM-AYOQOUSVSA-N 2 0 412.500 3.576 20 0 HHADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000510999730 1004973600 /nfs/dbraw/zinc/97/36/00/1004973600.db2.gz NQGVUDIIEFOPFZ-IQFVJIFQSA-N 2 0 404.558 3.793 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCc4cccs4)c(OC)c3)C2)CC1 ZINC000513460247 1004975941 /nfs/dbraw/zinc/97/59/41/1004975941.db2.gz DEALXBITVFEPNU-HXUWFJFHSA-N 2 0 415.603 3.548 20 0 HHADRP CC(C)(C)[NH+]1CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000511019406 1004982085 /nfs/dbraw/zinc/98/20/85/1004982085.db2.gz VUQOIDOCCHCPIA-UHFFFAOYSA-N 2 0 402.320 3.523 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000513542537 1005014815 /nfs/dbraw/zinc/01/48/15/1005014815.db2.gz FJYRQVZDHTYEDE-UYAOXDASSA-N 2 0 413.566 3.672 20 0 HHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513544629 1005015635 /nfs/dbraw/zinc/01/56/35/1005015635.db2.gz KNUWQURDIAREDQ-AREMUKBSSA-N 2 0 415.585 3.952 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513587835 1005038182 /nfs/dbraw/zinc/03/81/82/1005038182.db2.gz BKLZKLHTKLBXMI-QRVBRYPASA-N 2 0 413.537 3.942 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccncc3)cc2)CC1 ZINC000513632152 1005057788 /nfs/dbraw/zinc/05/77/88/1005057788.db2.gz NWENWKOZDHGUTE-UHFFFAOYSA-N 2 0 416.569 3.698 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690780 1005083521 /nfs/dbraw/zinc/08/35/21/1005083521.db2.gz MDYOOBMWAQSXRH-AQNXPRMDSA-N 2 0 405.546 3.727 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@@H]3C2)cc1 ZINC000513697983 1005086673 /nfs/dbraw/zinc/08/66/73/1005086673.db2.gz VFNLWYIDHCRALW-ISJGIBHGSA-N 2 0 420.601 3.699 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246668 1005089584 /nfs/dbraw/zinc/08/95/84/1005089584.db2.gz HHMZEYIESWTZBK-KJJMTIBFSA-N 2 0 404.643 3.935 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511292751 1005111429 /nfs/dbraw/zinc/11/14/29/1005111429.db2.gz KBAPVHAQTGJLFJ-WWNPGLIZSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000502608429 1005138268 /nfs/dbraw/zinc/13/82/68/1005138268.db2.gz RMNKSWHJNFVAQB-UHFFFAOYSA-N 2 0 406.571 3.603 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3Br)(N2CCCCC2)CC1 ZINC000513859740 1005162474 /nfs/dbraw/zinc/16/24/74/1005162474.db2.gz PHVZFBMCMJXAFW-FQEVSTJZSA-N 2 0 406.412 3.976 20 0 HHADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453746 1005183229 /nfs/dbraw/zinc/18/32/29/1005183229.db2.gz KUQPZEVKKBLCDF-GUMHCPJTSA-N 2 0 407.986 3.609 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)CC1 ZINC000502783930 1005216228 /nfs/dbraw/zinc/21/62/28/1005216228.db2.gz KXVWLSPLCZSNLN-UHFFFAOYSA-N 2 0 400.611 3.803 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000502813016 1005227900 /nfs/dbraw/zinc/22/79/00/1005227900.db2.gz VHBABACXPPWAIE-QHCPKHFHSA-N 2 0 416.610 3.643 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000502814037 1005228425 /nfs/dbraw/zinc/22/84/25/1005228425.db2.gz WNGPXQANRYMMNV-UHFFFAOYSA-N 2 0 408.590 3.944 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514029226 1005234710 /nfs/dbraw/zinc/23/47/10/1005234710.db2.gz OKKCYRGIKWNHEG-HSZRJFAPSA-N 2 0 412.622 3.949 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846398 1005242323 /nfs/dbraw/zinc/24/23/23/1005242323.db2.gz DLLVJGFCBLTAFY-VQIMIIECSA-N 2 0 414.516 3.824 20 0 HHADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502849291 1005243224 /nfs/dbraw/zinc/24/32/24/1005243224.db2.gz XQPGZURPGGJMLE-NRFANRHFSA-N 2 0 420.601 3.739 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000502863392 1005248706 /nfs/dbraw/zinc/24/87/06/1005248706.db2.gz QCAVKUNAHYDOPY-NFBKMPQASA-N 2 0 416.610 3.786 20 0 HHADRP CC(C)COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000511647378 1005260369 /nfs/dbraw/zinc/26/03/69/1005260369.db2.gz JUCMQJFUUWZBTH-UHFFFAOYSA-N 2 0 403.611 3.637 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648173 1005260893 /nfs/dbraw/zinc/26/08/93/1005260893.db2.gz ODOJWHMCCQYPFR-DEOSSOPVSA-N 2 0 421.585 3.642 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000502927372 1005278510 /nfs/dbraw/zinc/27/85/10/1005278510.db2.gz BPCBNVNJCMQQRM-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177029 1005299572 /nfs/dbraw/zinc/29/95/72/1005299572.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 2 0 412.603 3.534 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190444 1005305162 /nfs/dbraw/zinc/30/51/62/1005305162.db2.gz PEPNINVLUAMRSB-PKTZIBPZSA-N 2 0 412.553 3.873 20 0 HHADRP C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754537 1005308425 /nfs/dbraw/zinc/30/84/25/1005308425.db2.gz PNALQVCYDJDDGP-NRFANRHFSA-N 2 0 421.585 3.644 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000514241154 1005328721 /nfs/dbraw/zinc/32/87/21/1005328721.db2.gz FTUYMKXCXNONPV-HSZRJFAPSA-N 2 0 424.976 3.999 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000503079569 1005341655 /nfs/dbraw/zinc/34/16/55/1005341655.db2.gz CGCXZQALYIEQPF-LAUBAEHRSA-N 2 0 400.542 3.857 20 0 HHADRP CN(C(=O)NCC1([NH+](C)C)CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503117475 1005351354 /nfs/dbraw/zinc/35/13/54/1005351354.db2.gz NAAPNLSKESCBCU-UHFFFAOYSA-N 2 0 400.611 3.947 20 0 HHADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503400027 1005408400 /nfs/dbraw/zinc/40/84/00/1005408400.db2.gz MZJGTCSBUOMMJU-RPWUZVMVSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401709 1005408933 /nfs/dbraw/zinc/40/89/33/1005408933.db2.gz QWDIRBCFTQGISQ-WPFOTENUSA-N 2 0 412.622 3.975 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)C[C@H]1C ZINC000503430497 1005418194 /nfs/dbraw/zinc/41/81/94/1005418194.db2.gz RTLHGXFNZBASFD-XPNTWCBSSA-N 2 0 415.622 3.576 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000503446990 1005422966 /nfs/dbraw/zinc/42/29/66/1005422966.db2.gz NQKBTTVULVWQED-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503473394 1005431281 /nfs/dbraw/zinc/43/12/81/1005431281.db2.gz NWQUAAQIIYLLCH-UKILVPOCSA-N 2 0 420.601 3.687 20 0 HHADRP C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000503937171 1005515510 /nfs/dbraw/zinc/51/55/10/1005515510.db2.gz LIMMAQNDLONMID-HYBUGGRVSA-N 2 0 405.542 3.881 20 0 HHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000504086116 1005549783 /nfs/dbraw/zinc/54/97/83/1005549783.db2.gz IAAHJBDTGXMJEH-XMMPIXPASA-N 2 0 403.574 3.854 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000514407704 1005976200 /nfs/dbraw/zinc/97/62/00/1005976200.db2.gz XCZFGMXJGZBVTK-HXUWFJFHSA-N 2 0 402.583 3.603 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000531142234 1006015978 /nfs/dbraw/zinc/01/59/78/1006015978.db2.gz DXHGDOBBUWTGBU-UHFFFAOYSA-N 2 0 423.424 3.688 20 0 HHADRP C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000531167331 1006026082 /nfs/dbraw/zinc/02/60/82/1006026082.db2.gz BILHGMVNMHBJPY-QFIPXVFZSA-N 2 0 407.602 3.968 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)CN1CC[NH+](C)CC1 ZINC000534058461 1006030350 /nfs/dbraw/zinc/03/03/50/1006030350.db2.gz CBWPWEYXWLFMOM-FZKQIMNGSA-N 2 0 400.792 3.563 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H](C)O1 ZINC000531199465 1006042198 /nfs/dbraw/zinc/04/21/98/1006042198.db2.gz QMKVVFUKXCHNDZ-HOTGVXAUSA-N 2 0 421.383 3.818 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000531376021 1006160028 /nfs/dbraw/zinc/16/00/28/1006160028.db2.gz PFQSORWQZTWQML-LQWHRVPQSA-N 2 0 407.002 3.991 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000531376023 1006160203 /nfs/dbraw/zinc/16/02/03/1006160203.db2.gz PFQSORWQZTWQML-LVCYWYKZSA-N 2 0 407.002 3.991 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000531380539 1006163320 /nfs/dbraw/zinc/16/33/20/1006163320.db2.gz HDNULBHCKUFSIX-IBGZPJMESA-N 2 0 422.525 3.882 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000531430127 1006190281 /nfs/dbraw/zinc/19/02/81/1006190281.db2.gz FNWULSAPZVSNMX-UHFFFAOYSA-N 2 0 401.526 3.802 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534227039 1006224933 /nfs/dbraw/zinc/22/49/33/1006224933.db2.gz SNLJYRXUFSJLQS-QHCPKHFHSA-N 2 0 412.622 3.662 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534229513 1006228785 /nfs/dbraw/zinc/22/87/85/1006228785.db2.gz LYOWJIAYHBSBAP-NRFANRHFSA-N 2 0 421.585 3.861 20 0 HHADRP CC1(C)CC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC(C)(C)[NH2+]1 ZINC000534249134 1006256309 /nfs/dbraw/zinc/25/63/09/1006256309.db2.gz BWDSYDBQTBBULV-UHFFFAOYSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000534258373 1006267117 /nfs/dbraw/zinc/26/71/17/1006267117.db2.gz XRNDEVBZMNEPLU-GOSISDBHSA-N 2 0 400.542 3.597 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)CC2)CC1 ZINC000534259927 1006269695 /nfs/dbraw/zinc/26/96/95/1006269695.db2.gz XNSQZRZDXXMHSU-UHFFFAOYSA-N 2 0 404.574 3.730 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531621022 1006310852 /nfs/dbraw/zinc/31/08/52/1006310852.db2.gz XUSPRESCOHSXHB-LGVFNWMJSA-N 2 0 420.601 3.566 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000531694904 1006358883 /nfs/dbraw/zinc/35/88/83/1006358883.db2.gz LQDRLMIAXDWBOJ-SFHVURJKSA-N 2 0 416.587 3.662 20 0 HHADRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710483 1006370644 /nfs/dbraw/zinc/37/06/44/1006370644.db2.gz REQFMZRKYLNEIR-DZGCQCFKSA-N 2 0 421.891 3.776 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000515290493 1006380167 /nfs/dbraw/zinc/38/01/67/1006380167.db2.gz ZOXMZRCZCCYXGM-FQEVSTJZSA-N 2 0 402.583 3.905 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408907 1006384595 /nfs/dbraw/zinc/38/45/95/1006384595.db2.gz FBBHZMWNRFFNTQ-IFMALSPDSA-N 2 0 423.523 3.631 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389565 1006432093 /nfs/dbraw/zinc/43/20/93/1006432093.db2.gz IHPFAEVFUBIPOI-ZKMPZPQNSA-N 2 0 420.601 3.686 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000531900679 1006507196 /nfs/dbraw/zinc/50/71/96/1006507196.db2.gz SQTVULOHAHVPQV-MRXNPFEDSA-N 2 0 415.500 3.815 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000531900678 1006507837 /nfs/dbraw/zinc/50/78/37/1006507837.db2.gz SQTVULOHAHVPQV-INIZCTEOSA-N 2 0 415.500 3.815 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940061 1006533393 /nfs/dbraw/zinc/53/33/93/1006533393.db2.gz VBVODXQEUACHHX-NFBKMPQASA-N 2 0 409.574 3.877 20 0 HHADRP Cc1c([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965626 1006550769 /nfs/dbraw/zinc/55/07/69/1006550769.db2.gz HUERDSPIWXEZQI-UQBPGWFLSA-N 2 0 421.564 3.959 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1cccc(Cl)c1 ZINC000531989419 1006564401 /nfs/dbraw/zinc/56/44/01/1006564401.db2.gz NTVNUVNIWBTVHA-KRWDZBQOSA-N 2 0 424.980 3.832 20 0 HHADRP COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392812 1006663107 /nfs/dbraw/zinc/66/31/07/1006663107.db2.gz OVCQSRVSQPNXCS-JKFKMHIGSA-N 2 0 407.558 3.515 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000538404681 1006672677 /nfs/dbraw/zinc/67/26/77/1006672677.db2.gz NEOTYJFDIAAFGJ-SFTDATJTSA-N 2 0 400.611 3.792 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000515838842 1006711078 /nfs/dbraw/zinc/71/10/78/1006711078.db2.gz UHWWONSQIJDTDC-JOCHJYFZSA-N 2 0 404.574 3.600 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193456 1006711271 /nfs/dbraw/zinc/71/12/71/1006711271.db2.gz VGNSUIZLHIHADH-DRLORSAXSA-N 3 0 406.618 3.827 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CCC3)cc1 ZINC000532195491 1006712802 /nfs/dbraw/zinc/71/28/02/1006712802.db2.gz NBRVHUORFWKJCD-FQEVSTJZSA-N 2 0 414.619 3.813 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)CC(C)C ZINC000515848568 1006715596 /nfs/dbraw/zinc/71/55/96/1006715596.db2.gz LNERPDZWADOOIC-QFIPXVFZSA-N 2 0 406.590 3.846 20 0 HHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000532218715 1006729225 /nfs/dbraw/zinc/72/92/25/1006729225.db2.gz SCNBQMNOHBUZDM-HNNXBMFYSA-N 2 0 401.473 3.513 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000532295973 1006779058 /nfs/dbraw/zinc/77/90/58/1006779058.db2.gz MHAWCEPVQALIHR-UHFFFAOYSA-N 2 0 422.617 3.986 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534792973 1006796692 /nfs/dbraw/zinc/79/66/92/1006796692.db2.gz MHWNNLCSOJTBBB-SFHVURJKSA-N 2 0 400.792 3.707 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590677 1006857515 /nfs/dbraw/zinc/85/75/15/1006857515.db2.gz RVYHPXMLOFMHDP-GBXCKJPGSA-N 2 0 407.606 3.935 20 0 HHADRP CCOc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc(Cl)c1O ZINC000516111593 1006889630 /nfs/dbraw/zinc/88/96/30/1006889630.db2.gz XKRNXJDUABDBBU-UHFFFAOYSA-N 2 0 417.981 3.872 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000538638727 1006908479 /nfs/dbraw/zinc/90/84/79/1006908479.db2.gz MLTQOOGAMNKSBY-GOSISDBHSA-N 2 0 400.485 3.829 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000532494586 1006936359 /nfs/dbraw/zinc/93/63/59/1006936359.db2.gz MGCCXRUPLKBLEQ-KRWDZBQOSA-N 2 0 403.368 3.707 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000532579050 1007013280 /nfs/dbraw/zinc/01/32/80/1007013280.db2.gz FWTAIZFKAKRJGQ-XUZZJYLKSA-N 2 0 405.586 3.720 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534969394 1007024373 /nfs/dbraw/zinc/02/43/73/1007024373.db2.gz RIMHPWYARNJNTK-LAUBAEHRSA-N 2 0 422.976 3.646 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534976191 1007034500 /nfs/dbraw/zinc/03/45/00/1007034500.db2.gz MHNCDGVJKNRDGP-UHFFFAOYSA-N 2 0 400.542 3.727 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534978440 1007037658 /nfs/dbraw/zinc/03/76/58/1007037658.db2.gz AAVKOJXJFSXDLC-GCJKJVERSA-N 2 0 412.553 3.740 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534986273 1007044607 /nfs/dbraw/zinc/04/46/07/1007044607.db2.gz GWVDAQOGOBILMK-OPYAIIAOSA-N 2 0 422.976 3.742 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000534987225 1007045552 /nfs/dbraw/zinc/04/55/52/1007045552.db2.gz CDBJFWGZGWKIQA-ASKNOMKYSA-N 2 0 410.965 3.596 20 0 HHADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000538763141 1007048360 /nfs/dbraw/zinc/04/83/60/1007048360.db2.gz IJUSCQSDRPPOCH-RTBURBONSA-N 2 0 420.594 3.814 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538763713 1007049245 /nfs/dbraw/zinc/04/92/45/1007049245.db2.gz RSYNSBKJJDLZBP-JOCHJYFZSA-N 2 0 416.013 3.743 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000516392330 1007057277 /nfs/dbraw/zinc/05/72/77/1007057277.db2.gz QDAFOKOHJCFANX-HXUWFJFHSA-N 2 0 409.574 3.931 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164295 /nfs/dbraw/zinc/16/42/95/1007164295.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 2 0 400.611 3.975 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535212501 1007263036 /nfs/dbraw/zinc/26/30/36/1007263036.db2.gz QCDKJUNQNISFBG-FQEVSTJZSA-N 2 0 402.583 3.603 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c(C)n2n1 ZINC000538986441 1007281660 /nfs/dbraw/zinc/28/16/60/1007281660.db2.gz WTRYTYILLBTLKC-CEXWTWQISA-N 2 0 407.562 3.806 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000535232495 1007285877 /nfs/dbraw/zinc/28/58/77/1007285877.db2.gz CTOSXSNFFJTCLC-MRXNPFEDSA-N 2 0 423.424 3.764 20 0 HHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000516894357 1007335009 /nfs/dbraw/zinc/33/50/09/1007335009.db2.gz AJNHIKNVEJIUBO-UHFFFAOYSA-N 2 0 409.574 3.772 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039711 1007337775 /nfs/dbraw/zinc/33/77/75/1007337775.db2.gz ZJLKIGJZVGJNBE-GOSISDBHSA-N 2 0 414.981 3.978 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539072816 1007364216 /nfs/dbraw/zinc/36/42/16/1007364216.db2.gz UKPZFPOBMKUAIN-QRVBRYPASA-N 2 0 410.002 3.556 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000539072815 1007364471 /nfs/dbraw/zinc/36/44/71/1007364471.db2.gz UKPZFPOBMKUAIN-GUDVDZBRSA-N 2 0 410.002 3.556 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000539073599 1007364868 /nfs/dbraw/zinc/36/48/68/1007364868.db2.gz OXGOYQAUVPRRSY-FQEVSTJZSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000539075742 1007367368 /nfs/dbraw/zinc/36/73/68/1007367368.db2.gz KIPAVIKMOIVXJH-IAGOWNOFSA-N 2 0 410.587 3.870 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084689 1007373366 /nfs/dbraw/zinc/37/33/66/1007373366.db2.gz QCKFRXJBLVKWEA-IERDGZPVSA-N 2 0 401.938 3.737 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010668 1007375017 /nfs/dbraw/zinc/37/50/17/1007375017.db2.gz VTDKNVIMDJJGBF-DUXKGJEZSA-N 2 0 404.986 3.601 20 0 HHADRP c1cn(-c2ccccc2)nc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000539116739 1007404254 /nfs/dbraw/zinc/40/42/54/1007404254.db2.gz JUCQRXFJJSWVHP-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000535366294 1007423801 /nfs/dbraw/zinc/42/38/01/1007423801.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 2 0 406.574 3.642 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161763 1007461665 /nfs/dbraw/zinc/46/16/65/1007461665.db2.gz PRVIYOPJXRASHV-QRVBRYPASA-N 2 0 415.603 3.663 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000535397312 1007463024 /nfs/dbraw/zinc/46/30/24/1007463024.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000539294751 1007592168 /nfs/dbraw/zinc/59/21/68/1007592168.db2.gz FRTVAYHMMMQMNG-QFIPXVFZSA-N 2 0 423.601 3.891 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000539299078 1007596394 /nfs/dbraw/zinc/59/63/94/1007596394.db2.gz YZNFQQKABMLOIQ-FQEVSTJZSA-N 2 0 405.546 3.635 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C)CC1 ZINC000539311922 1007610941 /nfs/dbraw/zinc/61/09/41/1007610941.db2.gz PLJYIPVKEDALJY-LJQANCHMSA-N 2 0 412.553 3.955 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000539363466 1007666579 /nfs/dbraw/zinc/66/65/79/1007666579.db2.gz NIESQHVYVVGOIK-HSZRJFAPSA-N 2 0 402.542 3.993 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655640 1007667819 /nfs/dbraw/zinc/66/78/19/1007667819.db2.gz OWAQFUHQZFXUHM-GHTZIAJQSA-N 2 0 424.992 3.893 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395518 1007700547 /nfs/dbraw/zinc/70/05/47/1007700547.db2.gz PPKBKGSKZDZQQH-AKIFATBCSA-N 2 0 415.622 3.701 20 0 HHADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535676283 1007701232 /nfs/dbraw/zinc/70/12/32/1007701232.db2.gz PMGDSWVDUNDDDZ-NRFANRHFSA-N 2 0 423.576 3.861 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000535679405 1007706956 /nfs/dbraw/zinc/70/69/56/1007706956.db2.gz GDKYREISJAIDFR-FQEVSTJZSA-N 2 0 409.549 3.991 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000535679410 1007707408 /nfs/dbraw/zinc/70/74/08/1007707408.db2.gz GDKYREISJAIDFR-HXUWFJFHSA-N 2 0 409.549 3.991 20 0 HHADRP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535680689 1007709606 /nfs/dbraw/zinc/70/96/06/1007709606.db2.gz LJRQITWIVUDYSN-JOCHJYFZSA-N 2 0 405.586 3.722 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681876 1007711492 /nfs/dbraw/zinc/71/14/92/1007711492.db2.gz QQXHCOWQQBSWDV-UWJYYQICSA-N 2 0 424.992 3.892 20 0 HHADRP CC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683961 1007714767 /nfs/dbraw/zinc/71/47/67/1007714767.db2.gz OCGVLQRKQUUVMU-YLJYHZDGSA-N 2 0 410.965 3.503 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535684346 1007715367 /nfs/dbraw/zinc/71/53/67/1007715367.db2.gz UVCMNOQSPBAABU-LQWHRVPQSA-N 2 0 422.976 3.742 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699969 1007735977 /nfs/dbraw/zinc/73/59/77/1007735977.db2.gz KZZGCKVDMCPPHD-GHTZIAJQSA-N 2 0 424.992 3.845 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535698894 1007736253 /nfs/dbraw/zinc/73/62/53/1007736253.db2.gz IBIRPNJTUPBRBL-DYESRHJHSA-N 2 0 424.992 3.988 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535703406 1007740830 /nfs/dbraw/zinc/74/08/30/1007740830.db2.gz ZMBHMIIQHATOPI-FXAWDEMLSA-N 2 0 410.965 3.647 20 0 HHADRP CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535709088 1007749121 /nfs/dbraw/zinc/74/91/21/1007749121.db2.gz ZALYXJQUWUWJEM-QFIPXVFZSA-N 2 0 412.553 3.693 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000533458282 1007770490 /nfs/dbraw/zinc/77/04/90/1007770490.db2.gz KTZYLQGWSHYDEM-JRGCBEDISA-N 2 0 407.002 3.849 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651685 1007969148 /nfs/dbraw/zinc/96/91/48/1007969148.db2.gz RKSCIKTVOJFUOR-CJFMBICVSA-N 2 0 408.590 3.608 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000539687785 1008007748 /nfs/dbraw/zinc/00/77/48/1008007748.db2.gz DRJCRWKHMYOUOY-INIZCTEOSA-N 2 0 411.550 3.752 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000536002207 1008045867 /nfs/dbraw/zinc/04/58/67/1008045867.db2.gz IGHGYMRCVSAOPG-HSZRJFAPSA-N 2 0 406.574 3.805 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)C2)CC1 ZINC000533767323 1008092314 /nfs/dbraw/zinc/09/23/14/1008092314.db2.gz RVAMUEVOIXAXNG-IFMALSPDSA-N 2 0 419.013 3.850 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518015916 1008104874 /nfs/dbraw/zinc/10/48/74/1008104874.db2.gz YQJQZAQOPNNGFS-FPOVZHCZSA-N 2 0 404.986 3.793 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016673 1008105718 /nfs/dbraw/zinc/10/57/18/1008105718.db2.gz OEKRJUQMMSRXAF-REWPJTCUSA-N 2 0 414.594 3.538 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000539833227 1008127033 /nfs/dbraw/zinc/12/70/33/1008127033.db2.gz RBJNMDJKJPIJAE-FQEVSTJZSA-N 2 0 414.638 3.591 20 0 HHADRP C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539985549 1008221129 /nfs/dbraw/zinc/22/11/29/1008221129.db2.gz NOPAOLSZQYKECE-HXUWFJFHSA-N 2 0 406.574 3.593 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000540014429 1008238033 /nfs/dbraw/zinc/23/80/33/1008238033.db2.gz ZAQQFZTUMGIEKG-UHFFFAOYSA-N 2 0 418.601 3.931 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1)CC1CC1 ZINC000540014913 1008238361 /nfs/dbraw/zinc/23/83/61/1008238361.db2.gz AWVZYWDKKKDYOI-FQEVSTJZSA-N 2 0 406.640 3.894 20 0 HHADRP O=C(NCc1ccccc1)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000540051705 1008260329 /nfs/dbraw/zinc/26/03/29/1008260329.db2.gz SZXNEKDZXQWLGP-VWLOTQADSA-N 2 0 414.553 3.945 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c(C)n2n1 ZINC000540085931 1008279798 /nfs/dbraw/zinc/27/97/98/1008279798.db2.gz YWYYVPKEVHGUMR-SJORKVTESA-N 2 0 410.541 3.649 20 0 HHADRP C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540141172 1008308995 /nfs/dbraw/zinc/30/89/95/1008308995.db2.gz FMOPESVURHEJNR-YWZLYKJASA-N 2 0 407.352 3.774 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000540143459 1008310086 /nfs/dbraw/zinc/31/00/86/1008310086.db2.gz GSQVUAXTQSFCIT-HNAYVOBHSA-N 2 0 401.364 3.857 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000540161526 1008317344 /nfs/dbraw/zinc/31/73/44/1008317344.db2.gz QURJZGSNTDDBQG-MTNREXPMSA-N 2 0 402.583 3.589 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540163376 1008317796 /nfs/dbraw/zinc/31/77/96/1008317796.db2.gz LVVGASLNSAGMJJ-XZOQPEGZSA-N 2 0 424.004 3.801 20 0 HHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000518608010 1008363624 /nfs/dbraw/zinc/36/36/24/1008363624.db2.gz XCZSHWHVLWUOSX-CQSZACIVSA-N 2 0 410.331 3.644 20 0 HHADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518615971 1008366710 /nfs/dbraw/zinc/36/67/10/1008366710.db2.gz DVLXDICRJYXSIW-ROUUACIJSA-N 2 0 407.002 3.867 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540321661 1008379554 /nfs/dbraw/zinc/37/95/54/1008379554.db2.gz TWKWLGHJKDPJGD-ABSDTBQOSA-N 2 0 417.500 3.718 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000540394800 1008415076 /nfs/dbraw/zinc/41/50/76/1008415076.db2.gz KDLRKGUDAHFEOJ-HMILPKGGSA-N 2 0 400.588 3.792 20 0 HHADRP CCn1c2ccccc2nc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000518771688 1008417112 /nfs/dbraw/zinc/41/71/12/1008417112.db2.gz MUTRJWZUWBDMMW-UHFFFAOYSA-N 2 0 405.590 3.744 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000540407018 1008419797 /nfs/dbraw/zinc/41/97/97/1008419797.db2.gz DVTLSNQLOTVSBZ-RTBURBONSA-N 2 0 406.590 3.652 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1O2 ZINC000540468444 1008443112 /nfs/dbraw/zinc/44/31/12/1008443112.db2.gz QPNKEJKOMWNYKD-BJKOFHAPSA-N 2 0 421.585 3.638 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@H]1C ZINC000540473129 1008445347 /nfs/dbraw/zinc/44/53/47/1008445347.db2.gz VIZXYETYFWVNGJ-OYRHEFFESA-N 2 0 423.601 3.687 20 0 HHADRP C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000518862944 1008451075 /nfs/dbraw/zinc/45/10/75/1008451075.db2.gz DKSWRFPJBJVCEJ-KRWDZBQOSA-N 2 0 414.516 3.511 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000519014450 1008501805 /nfs/dbraw/zinc/50/18/05/1008501805.db2.gz MTHMXOLQZKQRKS-JOCHJYFZSA-N 2 0 412.553 3.565 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3cccnc3)c3ccc(Cl)cc3)cn2)CC1 ZINC000545459786 1008570617 /nfs/dbraw/zinc/57/06/17/1008570617.db2.gz ARVCHWHUUDLLAG-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP Cc1ccccc1[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCC(C)CC1 ZINC000543014940 1008592983 /nfs/dbraw/zinc/59/29/83/1008592983.db2.gz OWABGUGYBWDKBT-GCKKQHTFSA-N 2 0 401.639 3.842 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000543074777 1008652390 /nfs/dbraw/zinc/65/23/90/1008652390.db2.gz XLWGUOLFZJBQFE-YOEHRIQHSA-N 2 0 409.596 3.580 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c(Br)cccc43)cn2)CC1 ZINC000543081584 1008659142 /nfs/dbraw/zinc/65/91/42/1008659142.db2.gz XPMWGTBOBCODTD-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000519295303 1008706466 /nfs/dbraw/zinc/70/64/66/1008706466.db2.gz PKOKBVWTAZTDSD-JOCHJYFZSA-N 2 0 400.542 3.510 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204621 1008777209 /nfs/dbraw/zinc/77/72/09/1008777209.db2.gz KWNFZMZQUVNVFM-DHIUTWEWSA-N 2 0 412.622 3.660 20 0 HHADRP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000543236295 1008804636 /nfs/dbraw/zinc/80/46/36/1008804636.db2.gz GDFMQMWTKAYYOL-XZOQPEGZSA-N 2 0 401.518 3.633 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442946 1008819635 /nfs/dbraw/zinc/81/96/35/1008819635.db2.gz MPNHQPPARUKJMA-KNQAVFIVSA-N 2 0 401.501 3.596 20 0 HHADRP C[NH+]1CCCC[C@@H]1CC[NH+]1CCCC2(CCCN(CC[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000519481706 1008855085 /nfs/dbraw/zinc/85/50/85/1008855085.db2.gz WRJPVZYMHCDOJZ-AEAWWFNXSA-N 3 0 404.687 3.913 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000519556397 1008902211 /nfs/dbraw/zinc/90/22/11/1008902211.db2.gz FKTNSNIQULVZGR-HXUWFJFHSA-N 2 0 405.546 3.635 20 0 HHADRP c1nc(-c2ccncc2)sc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000519606385 1008927294 /nfs/dbraw/zinc/92/72/94/1008927294.db2.gz MHLKADKQEQKTPR-UHFFFAOYSA-N 2 0 421.614 3.893 20 0 HHADRP CCc1oc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1C(=O)OC ZINC000549400614 1008985746 /nfs/dbraw/zinc/98/57/46/1008985746.db2.gz UQAILHFRFAOBLD-UHFFFAOYSA-N 2 0 400.519 3.639 20 0 HHADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000545952771 1009016155 /nfs/dbraw/zinc/01/61/55/1009016155.db2.gz BSOCVFSKBYADEH-OLEQZPESSA-N 2 0 408.590 3.899 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458604 1009041436 /nfs/dbraw/zinc/04/14/36/1009041436.db2.gz GYADJAKHYMLBEG-LZLYRXPVSA-N 2 0 400.485 3.688 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453467 1009044039 /nfs/dbraw/zinc/04/40/39/1009044039.db2.gz CKSUFZBWSHCMFO-LEWJYISDSA-N 2 0 400.954 3.516 20 0 HHADRP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)o2)cc1C ZINC000543520285 1009111880 /nfs/dbraw/zinc/11/18/80/1009111880.db2.gz XOMHMVZQVXZGOP-FQEVSTJZSA-N 2 0 411.594 3.764 20 0 HHADRP Cn1ccc([C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000543594524 1009199793 /nfs/dbraw/zinc/19/97/93/1009199793.db2.gz SPZNGXSQFZVIGD-QHCPKHFHSA-N 2 0 412.965 3.936 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589724 1009217060 /nfs/dbraw/zinc/21/70/60/1009217060.db2.gz VNFCBHFJUBITAY-YADHBBJMSA-N 2 0 400.611 3.803 20 0 HHADRP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000549822489 1009432853 /nfs/dbraw/zinc/43/28/53/1009432853.db2.gz SWNSCZMAPKVZKG-RUZDIDTESA-N 2 0 423.601 3.934 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000543937303 1009529609 /nfs/dbraw/zinc/52/96/09/1009529609.db2.gz BUZQHTKFIAKDHC-JOCHJYFZSA-N 2 0 406.590 3.972 20 0 HHADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000544041469 1009644318 /nfs/dbraw/zinc/64/43/18/1009644318.db2.gz NCZUXFBBXUZSGW-WPVAHCMFSA-N 2 0 414.594 3.548 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000520613268 1009688705 /nfs/dbraw/zinc/68/87/05/1009688705.db2.gz ZBORAGJOONHAOD-GGAORHGYSA-N 2 0 416.610 3.738 20 0 HHADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704569 /nfs/dbraw/zinc/70/45/69/1009704569.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 2 0 421.560 3.942 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000520634374 1009711471 /nfs/dbraw/zinc/71/14/71/1009711471.db2.gz FGURXJOLNXMDDG-XMMPIXPASA-N 2 0 409.574 3.513 20 0 HHADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000550239373 1009797693 /nfs/dbraw/zinc/79/76/93/1009797693.db2.gz CZQMSHXSEVYGCR-UHFFFAOYSA-N 2 0 415.409 3.943 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC000550270530 1009821868 /nfs/dbraw/zinc/82/18/68/1009821868.db2.gz TXOFODPAEFZIRD-UHFFFAOYSA-N 2 0 406.496 3.963 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccco1 ZINC000520878480 1009933628 /nfs/dbraw/zinc/93/36/28/1009933628.db2.gz CACZNAWQWVKPDL-OAQYLSRUSA-N 2 0 404.599 3.960 20 0 HHADRP COc1ccc(Oc2ccc(C[NH2+]Cc3ccnc(N4CC[NH+](C)CC4)c3)cc2)cc1 ZINC000544353990 1009979897 /nfs/dbraw/zinc/97/98/97/1009979897.db2.gz QSQJEPWWSISZDH-UHFFFAOYSA-N 2 0 418.541 3.924 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000544486215 1010110118 /nfs/dbraw/zinc/11/01/18/1010110118.db2.gz AYGUJFSIDUUOBB-UHFFFAOYSA-N 2 0 400.394 3.722 20 0 HHADRP CCOC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881852 1010239127 /nfs/dbraw/zinc/23/91/27/1010239127.db2.gz DVAGPJDJKCQXBU-OOMBGRCJSA-N 2 0 414.590 3.627 20 0 HHADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000550888111 1010243012 /nfs/dbraw/zinc/24/30/12/1010243012.db2.gz YVDOAJRAQNZBDI-DHIUTWEWSA-N 2 0 406.636 3.667 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000547325676 1010254127 /nfs/dbraw/zinc/25/41/27/1010254127.db2.gz GDJKLXCTGOAUMV-UHFFFAOYSA-N 2 0 401.595 3.570 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000550937279 1010267256 /nfs/dbraw/zinc/26/72/56/1010267256.db2.gz FXUUKBKIGYPPHU-UHFFFAOYSA-N 2 0 401.576 3.591 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000550938247 1010267816 /nfs/dbraw/zinc/26/78/16/1010267816.db2.gz TUGKDMVHCPBJMP-NRUKRLKBSA-N 3 0 407.602 3.786 20 0 HHADRP CN1CC[C@@H](NC(=O)NCc2ccccc2Cn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960620 1010281678 /nfs/dbraw/zinc/28/16/78/1010281678.db2.gz GVWYQGVDBNGDPR-YADHBBJMSA-N 2 0 423.948 3.829 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000551020856 1010322309 /nfs/dbraw/zinc/32/23/09/1010322309.db2.gz RODQYTCUFXRMFI-SFHVURJKSA-N 2 0 401.576 3.923 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000521349701 1010325036 /nfs/dbraw/zinc/32/50/36/1010325036.db2.gz SHYMKDCICNLTGL-JOCHJYFZSA-N 2 0 419.013 3.868 20 0 HHADRP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547508239 1010333545 /nfs/dbraw/zinc/33/35/45/1010333545.db2.gz DOGLONPTPQVJMI-HARLFGEKSA-N 2 0 419.548 3.899 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000521464805 1010386574 /nfs/dbraw/zinc/38/65/74/1010386574.db2.gz YIBUZBYRQUFECW-NRFANRHFSA-N 2 0 413.566 3.544 20 0 HHADRP COc1cc([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258310 1010474553 /nfs/dbraw/zinc/47/45/53/1010474553.db2.gz FQDIKXGCCJSQJM-ICSRJNTNSA-N 2 0 413.537 3.809 20 0 HHADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000521687069 1010550884 /nfs/dbraw/zinc/55/08/84/1010550884.db2.gz IHJOGBOBTBMWPF-QGZVFWFLSA-N 2 0 414.516 3.653 20 0 HHADRP C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000521797475 1010625929 /nfs/dbraw/zinc/62/59/29/1010625929.db2.gz UUTYCWNQDCIETQ-CEXWTWQISA-N 2 0 400.567 3.701 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1)C(C)C ZINC000545127165 1010632422 /nfs/dbraw/zinc/63/24/22/1010632422.db2.gz RMTMKGWKNRGLRC-UHFFFAOYSA-N 2 0 420.561 3.781 20 0 HHADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703254 1010749448 /nfs/dbraw/zinc/74/94/48/1010749448.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 2 0 407.602 3.778 20 0 HHADRP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000545412735 1010778937 /nfs/dbraw/zinc/77/89/37/1010778937.db2.gz PVARMXCCIHRFNK-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522125873 1010824330 /nfs/dbraw/zinc/82/43/30/1010824330.db2.gz ZQAOVWOLEQQJDU-SFHVURJKSA-N 2 0 415.969 3.650 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000522127124 1010824937 /nfs/dbraw/zinc/82/49/37/1010824937.db2.gz BYBDNEOGAKJYKN-DEOSSOPVSA-N 2 0 421.589 3.824 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000522631458 1011124915 /nfs/dbraw/zinc/12/49/15/1011124915.db2.gz PKUWFMZZPUOSET-VAMGGRTRSA-N 2 0 406.640 3.627 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000540594842 1011251063 /nfs/dbraw/zinc/25/10/63/1011251063.db2.gz GQULEZZFFCVURQ-DFQSSKMNSA-N 2 0 411.512 3.750 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000540597882 1011253000 /nfs/dbraw/zinc/25/30/00/1011253000.db2.gz VXNWQNGORGEMGL-LJQANCHMSA-N 2 0 421.358 3.976 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536162104 1011291108 /nfs/dbraw/zinc/29/11/08/1011291108.db2.gz ZLMNBKFOHHRCAU-FOVJLYNBSA-N 2 0 406.574 3.957 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522886794 1011332866 /nfs/dbraw/zinc/33/28/66/1011332866.db2.gz LZLDOEJOESXYPM-QHCPKHFHSA-N 2 0 400.611 3.601 20 0 HHADRP c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000536302014 1011490939 /nfs/dbraw/zinc/49/09/39/1011490939.db2.gz JLFJJJJIZYTIJR-QFIPXVFZSA-N 2 0 404.514 3.906 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536460770 1011681244 /nfs/dbraw/zinc/68/12/44/1011681244.db2.gz YIOCYMZMINURDP-PXNSSMCTSA-N 2 0 410.965 3.503 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000536498708 1011704943 /nfs/dbraw/zinc/70/49/43/1011704943.db2.gz UKFOHNDMDMVIRG-UHFFFAOYSA-N 2 0 400.542 3.681 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000541090235 1011734638 /nfs/dbraw/zinc/73/46/38/1011734638.db2.gz PRFIZBREIHLEEB-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000536589367 1011751888 /nfs/dbraw/zinc/75/18/88/1011751888.db2.gz KANILMZRBRLPIG-UHFFFAOYSA-N 2 0 401.599 3.639 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1)Cc1ccccc1 ZINC000536678543 1011839740 /nfs/dbraw/zinc/83/97/40/1011839740.db2.gz GDYBMAIKBPBRGH-UHFFFAOYSA-N 2 0 404.558 3.628 20 0 HHADRP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(OCCC)c1 ZINC000536710485 1011882738 /nfs/dbraw/zinc/88/27/38/1011882738.db2.gz NUCXPZSWGAAJSD-QFIPXVFZSA-N 2 0 403.611 3.865 20 0 HHADRP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724295 1011896541 /nfs/dbraw/zinc/89/65/41/1011896541.db2.gz FCZDEESPUJBLBB-INIZCTEOSA-N 2 0 402.489 3.925 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536746181 1011932577 /nfs/dbraw/zinc/93/25/77/1011932577.db2.gz AKWJPQMVNBAQQU-UHFFFAOYSA-N 2 0 421.589 3.783 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000523470796 1011979111 /nfs/dbraw/zinc/97/91/11/1011979111.db2.gz OVXXHIIJUDHDGT-GMAHTHKFSA-N 2 0 400.611 3.803 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000536825144 1012053028 /nfs/dbraw/zinc/05/30/28/1012053028.db2.gz FBQKKNHNDIFFPM-AWEZNQCLSA-N 2 0 408.340 3.644 20 0 HHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536835501 1012065736 /nfs/dbraw/zinc/06/57/36/1012065736.db2.gz ZTYIQTVVPOARTE-PELRDEGISA-N 2 0 407.624 3.631 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067617 /nfs/dbraw/zinc/06/76/17/1012067617.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 2 0 411.634 3.912 20 0 HHADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1)c1ccccc1 ZINC000541377828 1012094981 /nfs/dbraw/zinc/09/49/81/1012094981.db2.gz TUECVNFBDXRZAN-DEOSSOPVSA-N 2 0 417.557 3.850 20 0 HHADRP COc1ccc(Oc2ccc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)nc3)cc2)cc1 ZINC000541391188 1012114011 /nfs/dbraw/zinc/11/40/11/1012114011.db2.gz YRRYKDWUKZBLIL-UHFFFAOYSA-N 2 0 418.541 3.924 20 0 HHADRP O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523609292 1012178804 /nfs/dbraw/zinc/17/88/04/1012178804.db2.gz FOAJWZWALVSOAI-XMMPIXPASA-N 2 0 409.549 3.745 20 0 HHADRP CCC1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000537016435 1012316866 /nfs/dbraw/zinc/31/68/66/1012316866.db2.gz KPTMGAAUUBQVRT-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1F ZINC000523807514 1012478350 /nfs/dbraw/zinc/47/83/50/1012478350.db2.gz BRQOCJPWOVOMBH-HXUWFJFHSA-N 2 0 404.574 3.685 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000541663044 1012491862 /nfs/dbraw/zinc/49/18/62/1012491862.db2.gz OBYRUHDFFVCVLV-UHFFFAOYSA-N 2 0 413.528 3.824 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876592 1012573185 /nfs/dbraw/zinc/57/31/85/1012573185.db2.gz MISWDNNKHPEPRD-YRPNKDGESA-N 2 0 406.640 3.626 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000541780783 1012649938 /nfs/dbraw/zinc/64/99/38/1012649938.db2.gz RXIJUBYGSCDMMA-SIKLNZKXSA-N 2 0 416.610 3.594 20 0 HHADRP C[NH+]1CCC[C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271838 1012725451 /nfs/dbraw/zinc/72/54/51/1012725451.db2.gz CACOCYSTFFGXSX-QUCCMNQESA-N 2 0 424.511 3.649 20 0 HHADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727818 /nfs/dbraw/zinc/72/78/18/1012727818.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 2 0 423.601 3.571 20 0 HHADRP CN(CCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1cc[nH+]cc1 ZINC000541857473 1012739403 /nfs/dbraw/zinc/73/94/03/1012739403.db2.gz HDVAOAWUTBSEBR-UHFFFAOYSA-N 2 0 408.468 3.517 20 0 HHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295622 1012753476 /nfs/dbraw/zinc/75/34/76/1012753476.db2.gz NEYFVWLXEJKDLA-DNVJHFABSA-N 2 0 413.606 3.601 20 0 HHADRP CSC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541916991 1012775464 /nfs/dbraw/zinc/77/54/64/1012775464.db2.gz WNVYBLFLNMGUJU-OALUTQOASA-N 2 0 403.558 3.971 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918441 1012775739 /nfs/dbraw/zinc/77/57/39/1012775739.db2.gz BBIMBRDFAZRKFO-SBUREZEXSA-N 2 0 408.521 3.737 20 0 HHADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000524037631 1012787399 /nfs/dbraw/zinc/78/73/99/1012787399.db2.gz HDVRCMXRNIREMP-UHFFFAOYSA-N 2 0 413.606 3.714 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524137932 1012923461 /nfs/dbraw/zinc/92/34/61/1012923461.db2.gz QYCYWSOAIHOPMW-HXUWFJFHSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000542041173 1012943370 /nfs/dbraw/zinc/94/33/70/1012943370.db2.gz KZDKTUWSZVFSML-URFUVDMWSA-N 2 0 420.644 3.799 20 0 HHADRP C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cc(Cl)sc1Cl ZINC000537486757 1012998446 /nfs/dbraw/zinc/99/84/46/1012998446.db2.gz PIXBLVBHLALQCS-BBRMVZONSA-N 2 0 414.402 3.995 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000524193471 1012999074 /nfs/dbraw/zinc/99/90/74/1012999074.db2.gz UIDAIGTWDSNYJF-FQEVSTJZSA-N 2 0 406.574 3.570 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000729682304 1071798378 /nfs/dbraw/zinc/79/83/78/1071798378.db2.gz MUXIGHQPHYRJOS-UHFFFAOYSA-N 2 0 404.558 3.813 20 0 HHADRP c1[nH]c2nccnc2c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000569863560 1072057938 /nfs/dbraw/zinc/05/79/38/1072057938.db2.gz DJNBNEDUVKXFRR-UHFFFAOYSA-N 2 0 412.541 3.522 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2cc1OCC ZINC000488206852 1072127034 /nfs/dbraw/zinc/12/70/34/1072127034.db2.gz AHBMNPQQHKYQLY-LJQANCHMSA-N 2 0 412.578 3.639 20 0 HHADRP Cc1noc(C2CC[NH+](CCCCCC[NH+]3CCC(c4nc(C)no4)CC3)CC2)n1 ZINC000729815235 1072129154 /nfs/dbraw/zinc/12/91/54/1072129154.db2.gz SGPCEKISNIMJJU-UHFFFAOYSA-N 2 0 416.570 3.689 20 0 HHADRP Cn1nccc1[C@@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815093 1072129985 /nfs/dbraw/zinc/12/99/85/1072129985.db2.gz NUIIQKIVJOUFQN-SZPZYZBQSA-N 2 0 412.626 3.773 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000611965174 1072175466 /nfs/dbraw/zinc/17/54/66/1072175466.db2.gz LUGYOXVDYYNIRG-LJQANCHMSA-N 2 0 423.557 3.692 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1)CC1CC1 ZINC000536738424 1072193360 /nfs/dbraw/zinc/19/33/60/1072193360.db2.gz SUOBJKHWZOOKAJ-UHFFFAOYSA-N 2 0 414.594 3.786 20 0 HHADRP Cc1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc(F)c1F ZINC001143599463 1072436453 /nfs/dbraw/zinc/43/64/53/1072436453.db2.gz FIVYDQBNDPIXIW-FQEVSTJZSA-N 2 0 401.501 3.924 20 0 HHADRP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296873 1072451587 /nfs/dbraw/zinc/45/15/87/1072451587.db2.gz ZANBIRHXCZNUOU-XMMPIXPASA-N 2 0 420.601 3.782 20 0 HHADRP CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000729842452 1072482671 /nfs/dbraw/zinc/48/26/71/1072482671.db2.gz DULQNTQRIMJTCN-LCCNJJIFSA-N 2 0 422.573 3.601 20 0 HHADRP CC(C)CCN1[C@@]2(CC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318897 1072497233 /nfs/dbraw/zinc/49/72/33/1072497233.db2.gz HVSPOIPTKKWUFK-YABDQXBESA-N 2 0 419.635 3.511 20 0 HHADRP Cc1nccn1CC(=O)c1cccc(-c2noc([C@H]3CCCC[C@]34CC[NH2+]C4)n2)c1 ZINC001212118378 1072530451 /nfs/dbraw/zinc/53/04/51/1072530451.db2.gz LFMRMJAWXOJLMQ-AUSIDOKSSA-N 2 0 405.502 3.762 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571328350 1072604036 /nfs/dbraw/zinc/60/40/36/1072604036.db2.gz LHSRQWAKACXPOP-YOEHRIQHSA-N 2 0 409.596 3.579 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574765 1072661239 /nfs/dbraw/zinc/66/12/39/1072661239.db2.gz CIQJEUIEXKDYKC-GMKZXUHWSA-N 2 0 407.606 3.967 20 0 HHADRP O=C(NCC1CC1)C1=CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168381644 1072776606 /nfs/dbraw/zinc/77/66/06/1072776606.db2.gz YOUHUFHYBPXRBJ-UHFFFAOYSA-N 2 0 419.613 3.818 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409601 1072831659 /nfs/dbraw/zinc/83/16/59/1072831659.db2.gz FVSOIMCXUAZCBY-REWPJTCUSA-N 2 0 400.611 3.975 20 0 HHADRP Cc1cccc(C2(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CCCC2)c1 ZINC000588644857 1073095579 /nfs/dbraw/zinc/09/55/79/1073095579.db2.gz ADRMSOAXPQFLGO-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000555081894 1073126455 /nfs/dbraw/zinc/12/64/55/1073126455.db2.gz QELYGOVUSBMZBM-UHFFFAOYSA-N 2 0 421.585 3.933 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000588770606 1073202157 /nfs/dbraw/zinc/20/21/57/1073202157.db2.gz UPOMRSPTXMRWCI-QFIPXVFZSA-N 2 0 415.626 3.913 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186288 1073249034 /nfs/dbraw/zinc/24/90/34/1073249034.db2.gz QYIZFSGIWNGPDL-QHAWAJNXSA-N 2 0 400.954 3.687 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555215745 1073267427 /nfs/dbraw/zinc/26/74/27/1073267427.db2.gz YTZITEHWBSXMLO-HSZRJFAPSA-N 2 0 412.622 3.947 20 0 HHADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452362 1073291361 /nfs/dbraw/zinc/29/13/61/1073291361.db2.gz JCUQOVRNHFYGSU-UNMCSNQZSA-N 2 0 402.966 3.972 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000590786603 1074004091 /nfs/dbraw/zinc/00/40/91/1074004091.db2.gz HNFLCXOLPHYXQN-HNNXBMFYSA-N 2 0 401.473 3.964 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926737 1074039910 /nfs/dbraw/zinc/03/99/10/1074039910.db2.gz OQIPEEKFDZPYPF-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)n(C)n1 ZINC000446924243 1074107223 /nfs/dbraw/zinc/10/72/23/1074107223.db2.gz DVNMFJDVGIXJIK-NEWJYFPISA-N 2 0 407.606 3.588 20 0 HHADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1CCCCC1 ZINC000591139638 1074126979 /nfs/dbraw/zinc/12/69/79/1074126979.db2.gz OPXPPSGPAOOCSC-HSZRJFAPSA-N 2 0 414.594 3.950 20 0 HHADRP COc1cccc(COc2cccc(Cl)c2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000592463747 1074761351 /nfs/dbraw/zinc/76/13/51/1074761351.db2.gz AFOVILIFNHJMMY-SFHVURJKSA-N 2 0 417.981 3.653 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000592463765 1074761408 /nfs/dbraw/zinc/76/14/08/1074761408.db2.gz AYYUWAGSYDZJSF-QGZVFWFLSA-N 2 0 405.945 3.784 20 0 HHADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592489828 1074769428 /nfs/dbraw/zinc/76/94/28/1074769428.db2.gz BLAKHBAGHWMLKA-SFHVURJKSA-N 2 0 407.002 3.726 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594290136 1075278386 /nfs/dbraw/zinc/27/83/86/1075278386.db2.gz QVIDMUBSQSOVGR-NRFANRHFSA-N 2 0 404.986 3.574 20 0 HHADRP c1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1-c1ccc(C[NH+]3CCCC3)cc1)CN2 ZINC000595141573 1075407950 /nfs/dbraw/zinc/40/79/50/1075407950.db2.gz NXIVNMSBCJATGN-OAQYLSRUSA-N 2 0 401.558 3.977 20 0 HHADRP C[N@H+](CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1)Cc1ccccc1 ZINC000595571974 1075466536 /nfs/dbraw/zinc/46/65/36/1075466536.db2.gz YLAROQXVZIZYFP-UHFFFAOYSA-N 2 0 403.570 3.968 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000602277889 1075725877 /nfs/dbraw/zinc/72/58/77/1075725877.db2.gz LXGUSCPZXPVZMR-GOSISDBHSA-N 2 0 418.379 3.967 20 0 HHADRP COc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000602277342 1075725883 /nfs/dbraw/zinc/72/58/83/1075725883.db2.gz KPQKEXVEBHUFSD-QFIPXVFZSA-N 2 0 409.574 3.532 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164714245 720123855 /nfs/dbraw/zinc/12/38/55/720123855.db2.gz BCGRFGYLELJLSL-HXUWFJFHSA-N 2 0 405.546 3.774 20 0 HHADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@H]3C2)cn1 ZINC001164771863 721209638 /nfs/dbraw/zinc/20/96/38/721209638.db2.gz RLEKCFBXZRZMFZ-FGZHOGPDSA-N 2 0 416.573 3.527 20 0 HHADRP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019576 721802417 /nfs/dbraw/zinc/80/24/17/721802417.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 2 0 406.578 3.517 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165023251 721830445 /nfs/dbraw/zinc/83/04/45/721830445.db2.gz IKUTVQXIBBTPTN-AGILITTLSA-N 2 0 405.590 3.809 20 0 HHADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164994357 722213248 /nfs/dbraw/zinc/21/32/48/722213248.db2.gz AZKLCJBZICIUFB-RUZDIDTESA-N 2 0 424.564 3.844 20 0 HHADRP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301843771 971083116 /nfs/dbraw/zinc/08/31/16/971083116.db2.gz LCJUMASSLYQBOP-JWTNVVGKSA-N 2 0 416.516 3.892 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000542148806 1013084219 /nfs/dbraw/zinc/08/42/19/1013084219.db2.gz UMUVSWOLSDLAPO-KRWDZBQOSA-N 2 0 412.578 3.749 20 0 HHADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303145284 971526678 /nfs/dbraw/zinc/52/66/78/971526678.db2.gz DPDQBLPOZBKFNX-HXUWFJFHSA-N 2 0 411.565 3.717 20 0 HHADRP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172057 971541417 /nfs/dbraw/zinc/54/14/17/971541417.db2.gz VUVWDWCFUVKEMS-WIYYLYMNSA-N 2 0 411.512 3.679 20 0 HHADRP CC1(C)CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000303238564 971574318 /nfs/dbraw/zinc/57/43/18/971574318.db2.gz HUQNNSMAPFRYLK-NRFANRHFSA-N 2 0 410.562 3.723 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000303785784 972026572 /nfs/dbraw/zinc/02/65/72/972026572.db2.gz DMAYZHJXCJSKLP-ZJSXRUAMSA-N 2 0 408.590 3.904 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000537613496 1013154019 /nfs/dbraw/zinc/15/40/19/1013154019.db2.gz QIDXVDCKNVARTI-REWPJTCUSA-N 2 0 406.574 3.633 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000537647097 1013207834 /nfs/dbraw/zinc/20/78/34/1013207834.db2.gz OHBQRMHUDQKDDF-FQEVSTJZSA-N 2 0 421.383 3.568 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C[C@H](C)O1 ZINC000537661104 1013222011 /nfs/dbraw/zinc/22/20/11/1013222011.db2.gz MAWMZTZCSZEZCE-HDICACEKSA-N 2 0 400.592 3.916 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000537746189 1013309673 /nfs/dbraw/zinc/30/96/73/1013309673.db2.gz FHQHBPTYADRPNU-UHFFFAOYSA-N 2 0 413.993 3.930 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1)CC1CC1 ZINC000537813240 1013376328 /nfs/dbraw/zinc/37/63/28/1013376328.db2.gz GFGIFUKQOATGJI-UHFFFAOYSA-N 2 0 412.622 3.967 20 0 HHADRP C[C@@H](CNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845758 1013410446 /nfs/dbraw/zinc/41/04/46/1013410446.db2.gz MQNXDKRPRHHRCB-SFTDATJTSA-N 2 0 408.590 3.928 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000553513601 1013413584 /nfs/dbraw/zinc/41/35/84/1013413584.db2.gz LIXLYYZKAJEYNK-KNQAVFIVSA-N 2 0 407.668 3.707 20 0 HHADRP C[C@@H](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1 ZINC000537855481 1013424881 /nfs/dbraw/zinc/42/48/81/1013424881.db2.gz ALNFXMUDKLCCKD-LJQANCHMSA-N 2 0 414.981 3.632 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000048816716 964064910 /nfs/dbraw/zinc/06/49/10/964064910.db2.gz YEUGIYZAUICFLG-QRVBRYPASA-N 2 0 410.558 3.918 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000049794924 964214776 /nfs/dbraw/zinc/21/47/76/964214776.db2.gz SGQISNDXCPMAGH-OAQYLSRUSA-N 2 0 415.969 3.650 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000049798131 964216195 /nfs/dbraw/zinc/21/61/95/964216195.db2.gz ZRJHQFPKOMQJQV-HSZRJFAPSA-N 2 0 412.553 3.701 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050137043 964275864 /nfs/dbraw/zinc/27/58/64/964275864.db2.gz HHMQNXOHICNVLE-IBGZPJMESA-N 2 0 404.624 3.620 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2ccccc2n1 ZINC000537968330 1013545593 /nfs/dbraw/zinc/54/55/93/1013545593.db2.gz BGNLBQZMUDQGPQ-IBGZPJMESA-N 2 0 402.542 3.911 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1OC ZINC000537972932 1013550189 /nfs/dbraw/zinc/55/01/89/1013550189.db2.gz JQZGPMUTHFEWFI-FQEVSTJZSA-N 2 0 403.954 3.881 20 0 HHADRP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980947 1013557284 /nfs/dbraw/zinc/55/72/84/1013557284.db2.gz QJNIVBMNYAYFHT-WZONZLPQSA-N 2 0 415.603 3.563 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057152481 965312388 /nfs/dbraw/zinc/31/23/88/965312388.db2.gz KXFACQKYHZHCDQ-QFIPXVFZSA-N 2 0 406.574 3.598 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057176775 965328384 /nfs/dbraw/zinc/32/83/84/965328384.db2.gz KYSPCIGEXKFVKF-QFIPXVFZSA-N 2 0 409.549 3.819 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029333107 965349771 /nfs/dbraw/zinc/34/97/71/965349771.db2.gz HWKOHLGHARREAW-DEOSSOPVSA-N 2 0 406.574 3.919 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000054382352 965493941 /nfs/dbraw/zinc/49/39/41/965493941.db2.gz DMMZZUFBWIKJAO-OALUTQOASA-N 2 0 415.626 3.625 20 0 HHADRP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888614 965572834 /nfs/dbraw/zinc/57/28/34/965572834.db2.gz MHGDJOYVYQYXCH-UHFFFAOYSA-N 2 0 423.548 3.834 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000030665205 965760786 /nfs/dbraw/zinc/76/07/86/965760786.db2.gz GKGGXSVHIAUROC-RUZDIDTESA-N 2 0 417.601 3.901 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030693654 965769063 /nfs/dbraw/zinc/76/90/63/965769063.db2.gz WUKVKKOSHGYWHY-RUZDIDTESA-N 2 0 422.617 3.637 20 0 HHADRP c1ccc([C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000542697211 1013614697 /nfs/dbraw/zinc/61/46/97/1013614697.db2.gz HPSWULUKNLDOFM-VWLOTQADSA-N 2 0 402.542 3.873 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000060545062 966197520 /nfs/dbraw/zinc/19/75/20/966197520.db2.gz RYMIWOAWDHIVCG-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000060979410 966342121 /nfs/dbraw/zinc/34/21/21/966342121.db2.gz GAQYMBBCKKHXIW-UHFFFAOYSA-N 2 0 408.521 3.880 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000061015798 966351533 /nfs/dbraw/zinc/35/15/33/966351533.db2.gz NLQUEDVSMYGZRO-UHFFFAOYSA-N 2 0 421.564 3.536 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000061070421 966364571 /nfs/dbraw/zinc/36/45/71/966364571.db2.gz KHLSRDLFEKIGQN-VXKWHMMOSA-N 2 0 410.562 3.943 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000056813367 966477264 /nfs/dbraw/zinc/47/72/64/966477264.db2.gz DUCHSYALMHNIBL-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000061498638 966481438 /nfs/dbraw/zinc/48/14/38/966481438.db2.gz LJIMGDZKNHUUJC-OAQYLSRUSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000042208657 966744878 /nfs/dbraw/zinc/74/48/78/966744878.db2.gz FGWDCEBWDGKZBE-UHFFFAOYSA-N 2 0 404.002 3.567 20 0 HHADRP CCC1(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000538116089 1013677159 /nfs/dbraw/zinc/67/71/59/1013677159.db2.gz DTAROSBIBLJLAR-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000043800710 967036511 /nfs/dbraw/zinc/03/65/11/967036511.db2.gz XNZXZXMKASGMHF-QHCPKHFHSA-N 2 0 409.578 3.643 20 0 HHADRP COc1cc(C)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000542835895 1013698449 /nfs/dbraw/zinc/69/84/49/1013698449.db2.gz BUEIEHOELIMMHD-UHFFFAOYSA-N 2 0 422.495 3.767 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000064229352 967095321 /nfs/dbraw/zinc/09/53/21/967095321.db2.gz XEBVQPCPAFLQLW-UHFFFAOYSA-N 2 0 400.542 3.551 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000542847717 1013706214 /nfs/dbraw/zinc/70/62/14/1013706214.db2.gz XBZSZNDXYVWMBJ-LOSJGSFVSA-N 2 0 402.542 3.507 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045029262 967336293 /nfs/dbraw/zinc/33/62/93/967336293.db2.gz INOHOMYYUNMJEG-UHFFFAOYSA-N 2 0 406.574 3.569 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[NH+](C)C)cc1 ZINC000065469737 967482477 /nfs/dbraw/zinc/48/24/77/967482477.db2.gz SWTVEIDIOBTWHR-QHCPKHFHSA-N 2 0 400.611 3.895 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065523950 967507674 /nfs/dbraw/zinc/50/76/74/967507674.db2.gz ALTBQYUCYRSERP-BGYRXZFFSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000065549917 967514790 /nfs/dbraw/zinc/51/47/90/967514790.db2.gz ALRCLAPKWUOADU-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976254 967614270 /nfs/dbraw/zinc/61/42/70/967614270.db2.gz IXWMNEPHKNVPJP-VQTJNVASSA-N 2 0 401.599 3.521 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000047884141 968351188 /nfs/dbraw/zinc/35/11/88/968351188.db2.gz LTKKDDRAYQVKKH-PMACEKPBSA-N 2 0 400.611 3.837 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000065750147 968624223 /nfs/dbraw/zinc/62/42/23/968624223.db2.gz HGYRSKCFFBDPTA-SZPZYZBQSA-N 2 0 414.638 3.705 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000072001818 968925784 /nfs/dbraw/zinc/92/57/84/968925784.db2.gz GQXWUOLUJHCFSK-QFIPXVFZSA-N 2 0 416.516 3.531 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000107509986 969310017 /nfs/dbraw/zinc/31/00/17/969310017.db2.gz QCCPZBAWKSKULI-UHFFFAOYSA-N 2 0 411.550 3.724 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554236969 1013866535 /nfs/dbraw/zinc/86/65/35/1013866535.db2.gz AGKCOVSRZUPWFG-DBXWQHBBSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554236971 1013866735 /nfs/dbraw/zinc/86/67/35/1013866735.db2.gz AGKCOVSRZUPWFG-LQWHRVPQSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554236976 1013866845 /nfs/dbraw/zinc/86/68/45/1013866845.db2.gz AGKCOVSRZUPWFG-OPYAIIAOSA-N 2 0 404.986 3.745 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000109310494 969496461 /nfs/dbraw/zinc/49/64/61/969496461.db2.gz VUNVRUMPDTUASF-HSZRJFAPSA-N 2 0 409.578 3.561 20 0 HHADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109339330 969501565 /nfs/dbraw/zinc/50/15/65/969501565.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 2 0 409.549 3.772 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000110149887 969630138 /nfs/dbraw/zinc/63/01/38/969630138.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 2 0 411.512 3.774 20 0 HHADRP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152498 969630584 /nfs/dbraw/zinc/63/05/84/969630584.db2.gz LXSOISMOVMSBSX-WIYYLYMNSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@@H](C)O1 ZINC000110434132 969667364 /nfs/dbraw/zinc/66/73/64/969667364.db2.gz XJVJQAHNNWYYKM-HZPDHXFCSA-N 2 0 411.949 3.629 20 0 HHADRP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000236688527 970156192 /nfs/dbraw/zinc/15/61/92/970156192.db2.gz IOPIHWLTJGLPCK-DEOSSOPVSA-N 2 0 410.606 3.639 20 0 HHADRP c1ccc(C[NH+]2CCN(CC[NH2+]Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000236705930 970159484 /nfs/dbraw/zinc/15/94/84/970159484.db2.gz ZHZNJRNDSPIWPK-UHFFFAOYSA-N 2 0 416.569 3.568 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000236814359 970175349 /nfs/dbraw/zinc/17/53/49/970175349.db2.gz ZWXQRKFWXPUQNC-UHFFFAOYSA-N 2 0 420.601 3.631 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000236948430 970192787 /nfs/dbraw/zinc/19/27/87/970192787.db2.gz APSSKKPZTPFAMM-INIZCTEOSA-N 2 0 424.420 3.851 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000236948186 970193102 /nfs/dbraw/zinc/19/31/02/970193102.db2.gz FOZOKXAKIFWXPG-SFHVURJKSA-N 2 0 418.029 3.814 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC1 ZINC000236972968 970197023 /nfs/dbraw/zinc/19/70/23/970197023.db2.gz SWILFIVWXCATSW-SFHVURJKSA-N 2 0 404.002 3.765 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236977928 970198883 /nfs/dbraw/zinc/19/88/83/970198883.db2.gz WXGNLYJURBHGDC-GOSISDBHSA-N 2 0 414.981 3.708 20 0 HHADRP COCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000143557115 970201144 /nfs/dbraw/zinc/20/11/44/970201144.db2.gz CUNJELAOZHKEKQ-UHFFFAOYSA-N 2 0 402.583 3.683 20 0 HHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000237046444 970213400 /nfs/dbraw/zinc/21/34/00/970213400.db2.gz ZDQGEIZERUBRRV-IBGZPJMESA-N 2 0 423.399 3.698 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237104662 970222728 /nfs/dbraw/zinc/22/27/28/970222728.db2.gz WOILASSEKVDYKE-UHFFFAOYSA-N 2 0 424.980 3.579 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237164030 970233476 /nfs/dbraw/zinc/23/34/76/970233476.db2.gz NWTPHENDSAPVGE-UHFFFAOYSA-N 2 0 404.002 3.506 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145597470 970266176 /nfs/dbraw/zinc/26/61/76/970266176.db2.gz AJQAFFSDARNRBK-HXUWFJFHSA-N 2 0 402.652 3.770 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000145670387 970268639 /nfs/dbraw/zinc/26/86/39/970268639.db2.gz MKTNGMFTZFKRNJ-QFIPXVFZSA-N 2 0 411.615 3.989 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000237420712 970282552 /nfs/dbraw/zinc/28/25/52/970282552.db2.gz RGEHMIMLVRZNIF-QFIPXVFZSA-N 2 0 417.601 3.882 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000237589884 970318874 /nfs/dbraw/zinc/31/88/74/970318874.db2.gz FLBXNBSFESNNAL-OAQYLSRUSA-N 2 0 417.601 3.821 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237609110 970322081 /nfs/dbraw/zinc/32/20/81/970322081.db2.gz DHSBGPNLOTWWOP-IYBDPMFKSA-N 2 0 406.521 3.746 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237664060 970333496 /nfs/dbraw/zinc/33/34/96/970333496.db2.gz DAJDJQRHZGEPNW-QGZVFWFLSA-N 2 0 404.002 3.684 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000237664817 970333941 /nfs/dbraw/zinc/33/39/41/970333941.db2.gz YBACFLBCVBDYPH-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000237665433 970334194 /nfs/dbraw/zinc/33/41/94/970334194.db2.gz FBGUOKSOEWGWFF-JOCHJYFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237672109 970336302 /nfs/dbraw/zinc/33/63/02/970336302.db2.gz OXILYMUJEOKEGE-LJQANCHMSA-N 2 0 412.578 3.993 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(C(=O)C(C)(C)C)CC3)CC2)c1 ZINC000237721360 970346899 /nfs/dbraw/zinc/34/68/99/970346899.db2.gz ATXYBKIJTZSEEI-UHFFFAOYSA-N 2 0 414.638 3.524 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148995947 970378171 /nfs/dbraw/zinc/37/81/71/970378171.db2.gz XFLGSDMQDAZRGA-LPHOPBHVSA-N 2 0 406.621 3.624 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)c2)C1 ZINC000237940549 970399872 /nfs/dbraw/zinc/39/98/72/970399872.db2.gz AATFGKVTAJDFAG-QHCPKHFHSA-N 2 0 421.585 3.995 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195548888 970505154 /nfs/dbraw/zinc/50/51/54/970505154.db2.gz PZMFOSFSOGLSKL-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)NCCCC[NH+]1CCC[C@H]1CO)C1CCCCC1 ZINC000250235974 970533263 /nfs/dbraw/zinc/53/32/63/970533263.db2.gz OJIQNZHSHLBJLD-QFIPXVFZSA-N 2 0 416.610 3.810 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000195601445 970544159 /nfs/dbraw/zinc/54/41/59/970544159.db2.gz IFEIIPRNUXMIQW-QHCPKHFHSA-N 2 0 416.610 3.786 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000251598078 970547580 /nfs/dbraw/zinc/54/75/80/970547580.db2.gz BOLHKJKQBJYIJJ-SQJMNOBHSA-N 2 0 421.585 3.578 20 0 HHADRP Brc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154677 972624833 /nfs/dbraw/zinc/62/48/33/972624833.db2.gz OAURNBFZSPCUMN-INIZCTEOSA-N 2 0 403.320 3.790 20 0 HHADRP Brc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154681 972625667 /nfs/dbraw/zinc/62/56/67/972625667.db2.gz OAURNBFZSPCUMN-MRXNPFEDSA-N 2 0 403.320 3.790 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000392966007 972859253 /nfs/dbraw/zinc/85/92/53/972859253.db2.gz UXQRZEZEMGAGEB-RBUKOAKNSA-N 2 0 410.400 3.524 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000409531887 972987232 /nfs/dbraw/zinc/98/72/32/972987232.db2.gz CVVNERTVIOYYDJ-VWLOTQADSA-N 2 0 420.601 3.542 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410310293 973853006 /nfs/dbraw/zinc/85/30/06/973853006.db2.gz IOJPIYDKUDDKMH-VWLOTQADSA-N 2 0 420.601 3.657 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000410325553 973880131 /nfs/dbraw/zinc/88/01/31/973880131.db2.gz ZGQMVBXZTJBODS-WOJBJXKFSA-N 2 0 400.611 3.627 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000410325552 973881538 /nfs/dbraw/zinc/88/15/38/973881538.db2.gz ZGQMVBXZTJBODS-PMACEKPBSA-N 2 0 400.611 3.627 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000410356479 973947424 /nfs/dbraw/zinc/94/74/24/973947424.db2.gz XDLCHZRQXPYBMG-FQEVSTJZSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974599 /nfs/dbraw/zinc/97/45/99/973974599.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000426055440 974177864 /nfs/dbraw/zinc/17/78/64/974177864.db2.gz RFELYBYDOCZKKR-MRXNPFEDSA-N 2 0 401.020 3.694 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000427147389 974940223 /nfs/dbraw/zinc/94/02/23/974940223.db2.gz MAYPNNHMUCOQPI-QHCPKHFHSA-N 2 0 401.595 3.636 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427717613 975250518 /nfs/dbraw/zinc/25/05/18/975250518.db2.gz HTUDPQYKCSXXNT-LJQANCHMSA-N 2 0 420.479 3.559 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428107916 975440447 /nfs/dbraw/zinc/44/04/47/975440447.db2.gz ORSJCFMKUGAIFK-BAGYTPMASA-N 2 0 410.562 3.769 20 0 HHADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000428452994 975760028 /nfs/dbraw/zinc/76/00/28/975760028.db2.gz ONJLUIFMDSVERW-IVMQYODDSA-N 2 0 410.400 3.632 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532979 975828361 /nfs/dbraw/zinc/82/83/61/975828361.db2.gz HXFWAWOTIFXUOU-NBGIEHNGSA-N 2 0 421.585 3.535 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000428719980 976008765 /nfs/dbraw/zinc/00/87/65/976008765.db2.gz QKDVGCMEHNUDRS-GGAORHGYSA-N 2 0 415.622 3.542 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753114 976026399 /nfs/dbraw/zinc/02/63/99/976026399.db2.gz MDWVWKDXYQRGLK-PQNGQFLHSA-N 2 0 408.590 3.859 20 0 HHADRP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429018252 976299378 /nfs/dbraw/zinc/29/93/78/976299378.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 2 0 408.384 3.812 20 0 HHADRP Oc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H]1Cc3cccc(O)c3C1)C2 ZINC000429314841 976584361 /nfs/dbraw/zinc/58/43/61/976584361.db2.gz GAEWKDHRZOMMLK-VXKWHMMOSA-N 2 0 400.522 3.612 20 0 HHADRP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439656 976718190 /nfs/dbraw/zinc/71/81/90/976718190.db2.gz FMYDQOSZZHNNNW-BWKNWUBXSA-N 2 0 411.590 3.569 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000429500788 976756267 /nfs/dbraw/zinc/75/62/67/976756267.db2.gz GOQDTHNKSADEDN-LEWJYISDSA-N 2 0 409.578 3.772 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430020114 977275962 /nfs/dbraw/zinc/27/59/62/977275962.db2.gz IZKJXNUSLUIQQF-BGYRXZFFSA-N 2 0 420.557 3.780 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccnn3-c3ccccc3OC)CC2)cc1 ZINC000430038911 977289766 /nfs/dbraw/zinc/28/97/66/977289766.db2.gz LFKLUXZSZRXXPH-UHFFFAOYSA-N 2 0 420.557 3.891 20 0 HHADRP CCOc1ccccc1OCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430915343 977884093 /nfs/dbraw/zinc/88/40/93/977884093.db2.gz CHNIDBWISDZWIL-UHFFFAOYSA-N 2 0 403.611 3.592 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114246 978027167 /nfs/dbraw/zinc/02/71/67/978027167.db2.gz KVHOUMKEXPSGAV-WOJBJXKFSA-N 2 0 416.614 3.577 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000431278000 978163679 /nfs/dbraw/zinc/16/36/79/978163679.db2.gz ZALUUYVCIIGEIY-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000431648096 978407812 /nfs/dbraw/zinc/40/78/12/978407812.db2.gz NQRHJFPOAGSYMF-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431675384 978428589 /nfs/dbraw/zinc/42/85/89/978428589.db2.gz IEJDTADNPOITAK-QDSKXPNFSA-N 2 0 408.590 3.512 20 0 HHADRP CC(C)(CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[NH+]1CCCCC1 ZINC000431776707 978504206 /nfs/dbraw/zinc/50/42/06/978504206.db2.gz SOMKWUAJYLHHFW-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCc1ccccc1Cl ZINC000431863333 978558495 /nfs/dbraw/zinc/55/84/95/978558495.db2.gz DUENVTJUAUQITM-UHFFFAOYSA-N 2 0 407.002 3.678 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC[NH+]2CC=CCC2)cc1)C[C@@H]1CCCCO1 ZINC000432368507 978780961 /nfs/dbraw/zinc/78/09/61/978780961.db2.gz QPDKSVFAMAPIMN-QHCPKHFHSA-N 2 0 414.594 3.850 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805567 /nfs/dbraw/zinc/80/55/67/978805567.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 2 0 411.512 3.847 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022883 /nfs/dbraw/zinc/02/28/83/979022883.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 2 0 411.384 3.671 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433158362 979106489 /nfs/dbraw/zinc/10/64/89/979106489.db2.gz ANYXDFVLHURDRC-UHFFFAOYSA-N 2 0 417.553 3.661 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433363177 979256957 /nfs/dbraw/zinc/25/69/57/979256957.db2.gz GYUACTPSTAASHU-ISKFKSNPSA-N 2 0 409.574 3.898 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000433577634 979398847 /nfs/dbraw/zinc/39/88/47/979398847.db2.gz DLDRAHVICFMSDX-UHFFFAOYSA-N 2 0 414.638 3.549 20 0 HHADRP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435529318 980923576 /nfs/dbraw/zinc/92/35/76/980923576.db2.gz REHXLUIXCROLAO-UNMCSNQZSA-N 2 0 424.593 3.634 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532017 980924933 /nfs/dbraw/zinc/92/49/33/980924933.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436270441 981278781 /nfs/dbraw/zinc/27/87/81/981278781.db2.gz APSGAVNUXKHZLH-HJLBWTBNSA-N 2 0 411.590 3.942 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000436418818 981358438 /nfs/dbraw/zinc/35/84/38/981358438.db2.gz YFPSUULIZCAJCQ-NQIIRXRSSA-N 2 0 413.528 3.790 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448209905 981623618 /nfs/dbraw/zinc/62/36/18/981623618.db2.gz VULBRYWCTIRLGF-KNQAVFIVSA-N 2 0 416.635 3.618 20 0 HHADRP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235346 981644892 /nfs/dbraw/zinc/64/48/92/981644892.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 0 417.623 3.856 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H](C)C1 ZINC000448460847 981794577 /nfs/dbraw/zinc/79/45/77/981794577.db2.gz GLOLSTOIAWORNK-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853828 /nfs/dbraw/zinc/85/38/28/981853828.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 2 0 414.638 3.831 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387081 982166611 /nfs/dbraw/zinc/16/66/11/982166611.db2.gz OEGBBZJDPLKOLK-WXFUMESZSA-N 2 0 412.622 3.518 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000437607699 982229410 /nfs/dbraw/zinc/22/94/10/982229410.db2.gz XKFANMLGKZLQIX-QGZVFWFLSA-N 2 0 400.489 3.894 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460658018 982428655 /nfs/dbraw/zinc/42/86/55/982428655.db2.gz RTWZTFNVCQIHMV-TWDDROGUSA-N 2 0 424.633 3.803 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000438195411 982645883 /nfs/dbraw/zinc/64/58/83/982645883.db2.gz AFKUSDKDPVAMRH-UHFFFAOYSA-N 2 0 412.578 3.729 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448406 983113917 /nfs/dbraw/zinc/11/39/17/983113917.db2.gz YDHSRGPVZITXQN-FTJBHMTQSA-N 2 0 417.597 3.879 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861626 983127253 /nfs/dbraw/zinc/12/72/53/983127253.db2.gz JGIOWGYDCUYPCV-XXBNENTESA-N 2 0 409.578 3.518 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467400 983129356 /nfs/dbraw/zinc/12/93/56/983129356.db2.gz OJQNAIXTQGUBQI-JOCHJYFZSA-N 2 0 409.574 3.659 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000439024735 983217087 /nfs/dbraw/zinc/21/70/87/983217087.db2.gz VGNGBRVLXZOIBQ-LJQANCHMSA-N 2 0 403.567 3.690 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000439237949 983324297 /nfs/dbraw/zinc/32/42/97/983324297.db2.gz OGGARVGGIIFLJL-NRFANRHFSA-N 2 0 400.592 3.658 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000439762534 983528481 /nfs/dbraw/zinc/52/84/81/983528481.db2.gz BYAJMRLYPMCBQL-SFHVURJKSA-N 2 0 401.514 3.598 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000439762532 983528565 /nfs/dbraw/zinc/52/85/65/983528565.db2.gz BYAJMRLYPMCBQL-GOSISDBHSA-N 2 0 401.514 3.598 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000439962370 983596493 /nfs/dbraw/zinc/59/64/93/983596493.db2.gz PYDWEYTUCSKEKF-QFIPXVFZSA-N 2 0 412.578 3.847 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440816645 983919272 /nfs/dbraw/zinc/91/92/72/983919272.db2.gz NNKUASXCNOGOIK-UDTLNKQYSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192133 984107636 /nfs/dbraw/zinc/10/76/36/984107636.db2.gz DBFPHCKDYHROIO-HUVFLSCGSA-N 2 0 407.558 3.866 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000441375853 984217202 /nfs/dbraw/zinc/21/72/02/984217202.db2.gz JICWVWKHVMSXFU-LPHOPBHVSA-N 2 0 424.511 3.548 20 0 HHADRP CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)[NH+](CC)CC ZINC000461641215 984662735 /nfs/dbraw/zinc/66/27/35/984662735.db2.gz HLFDKVAUSQDENJ-SFHVURJKSA-N 2 0 400.489 3.516 20 0 HHADRP COCC[NH+]1CCC(Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070055 985041953 /nfs/dbraw/zinc/04/19/53/985041953.db2.gz VDIYMAWNIIJGTF-DEOSSOPVSA-N 2 0 403.611 3.989 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1c(F)cccc1Cl ZINC000462123427 985093108 /nfs/dbraw/zinc/09/31/08/985093108.db2.gz WQALJQQJKVRMOF-IBGZPJMESA-N 2 0 404.957 3.927 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1(C)C ZINC000442869693 985252786 /nfs/dbraw/zinc/25/27/86/985252786.db2.gz FAQYJGJHSSZLPT-OAQYLSRUSA-N 2 0 403.517 3.993 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873510 985253160 /nfs/dbraw/zinc/25/31/60/985253160.db2.gz PJQUJVNAZYOSPI-GOSISDBHSA-N 2 0 402.583 3.942 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872195 985253257 /nfs/dbraw/zinc/25/32/57/985253257.db2.gz HPHWDCPKENXSPC-KRWDZBQOSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000443200228 985440181 /nfs/dbraw/zinc/44/01/81/985440181.db2.gz GCCBONRAZMVCOK-HZPDHXFCSA-N 2 0 403.958 3.905 20 0 HHADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462539207 985487074 /nfs/dbraw/zinc/48/70/74/985487074.db2.gz QZWPVLHGDQENGW-MRXNPFEDSA-N 2 0 402.505 3.507 20 0 HHADRP FC(F)(F)COc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000462681941 985621003 /nfs/dbraw/zinc/62/10/03/985621003.db2.gz RYPDVYBUIFTYQV-UHFFFAOYSA-N 2 0 407.480 3.535 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)c2cc1OCC ZINC000462822682 985747458 /nfs/dbraw/zinc/74/74/58/985747458.db2.gz WGKQGAJRZJLEJE-UHFFFAOYSA-N 2 0 423.561 3.705 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462879056 985803809 /nfs/dbraw/zinc/80/38/09/985803809.db2.gz PIGZLYRTOCSVRD-DHLKQENFSA-N 3 0 418.645 3.995 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000443636948 985820665 /nfs/dbraw/zinc/82/06/65/985820665.db2.gz HFQDYIPDCXTMNB-SRYPRDQNSA-N 2 0 400.611 3.646 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000462905539 985835931 /nfs/dbraw/zinc/83/59/31/985835931.db2.gz CZUGXISMTBCTAN-HXUWFJFHSA-N 2 0 410.581 3.972 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000468254014 985953562 /nfs/dbraw/zinc/95/35/62/985953562.db2.gz ZKRCAAUTIUSSOF-UHFFFAOYSA-N 2 0 411.512 3.860 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015027 985970133 /nfs/dbraw/zinc/97/01/33/985970133.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 2 0 420.601 3.670 20 0 HHADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015383 985970467 /nfs/dbraw/zinc/97/04/67/985970467.db2.gz WZIACWMBCMAXBR-XZOQPEGZSA-N 2 0 404.595 3.858 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016653 985973125 /nfs/dbraw/zinc/97/31/25/985973125.db2.gz UWVCITSAZHZCTC-HYBUGGRVSA-N 2 0 406.574 3.602 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463026163 985985156 /nfs/dbraw/zinc/98/51/56/985985156.db2.gz ZKVPVZMHGDKVRS-HXUWFJFHSA-N 2 0 411.594 3.907 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026711 985986120 /nfs/dbraw/zinc/98/61/20/985986120.db2.gz BSGPBBOPBDCGSG-SANMLTNESA-N 2 0 407.602 3.646 20 0 HHADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000468450777 986145807 /nfs/dbraw/zinc/14/58/07/986145807.db2.gz PYGJGYDDALSNED-VXKWHMMOSA-N 2 0 420.601 3.816 20 0 HHADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)C1)CCCC2 ZINC000468453238 986147463 /nfs/dbraw/zinc/14/74/63/986147463.db2.gz UXRSKEXTENYYSH-OAQYLSRUSA-N 2 0 424.614 3.706 20 0 HHADRP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)C1)CCCC2 ZINC000468453237 986147701 /nfs/dbraw/zinc/14/77/01/986147701.db2.gz UXRSKEXTENYYSH-NRFANRHFSA-N 2 0 424.614 3.706 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272791 986240241 /nfs/dbraw/zinc/24/02/41/986240241.db2.gz UITXOFSDLUFHFI-BWKNWUBXSA-N 2 0 420.601 3.813 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000463294818 986262451 /nfs/dbraw/zinc/26/24/51/986262451.db2.gz WFGSAQCLYRETPY-COZMKHHLSA-N 3 0 418.629 3.589 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000444236750 986425870 /nfs/dbraw/zinc/42/58/70/986425870.db2.gz JLMRDNBASFIIHV-IIZPIQPGSA-N 2 0 409.578 3.838 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000469065277 986777094 /nfs/dbraw/zinc/77/70/94/986777094.db2.gz VGFHOVWMXJKRFH-UHFFFAOYSA-N 2 0 404.514 3.508 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)s1 ZINC000444760009 986920585 /nfs/dbraw/zinc/92/05/85/986920585.db2.gz IKBPQYSWKVRGSR-ZFWWWQNUSA-N 2 0 410.381 3.580 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206687 986930629 /nfs/dbraw/zinc/93/06/29/986930629.db2.gz WQCFKQUSBKUMNH-QFIPXVFZSA-N 2 0 407.549 3.900 20 0 HHADRP Cc1cccc(N2CC[NH+](CCC(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)CC2)c1 ZINC000469254066 986973496 /nfs/dbraw/zinc/97/34/96/986973496.db2.gz XXNMFVRUUPXWKO-UHFFFAOYSA-N 2 0 422.617 3.664 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000469372008 987068732 /nfs/dbraw/zinc/06/87/32/987068732.db2.gz VCCIKSVRLIHVNQ-UHFFFAOYSA-N 2 0 408.590 3.552 20 0 HHADRP CC(F)(F)c1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000444934156 987078884 /nfs/dbraw/zinc/07/88/84/987078884.db2.gz VNVCUXZVEZIPGA-UHFFFAOYSA-N 2 0 403.477 3.527 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000469433555 987120243 /nfs/dbraw/zinc/12/02/43/987120243.db2.gz FYJTXBKSPLQFPF-DEOSSOPVSA-N 2 0 423.605 3.502 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522178 987198008 /nfs/dbraw/zinc/19/80/08/987198008.db2.gz OSSKTXKJDNBDDQ-FGZHOGPDSA-N 2 0 412.622 3.555 20 0 HHADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000445219209 987284279 /nfs/dbraw/zinc/28/42/79/987284279.db2.gz RYABECCJVRORMJ-KNQAVFIVSA-N 2 0 400.611 3.926 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000469865997 987503377 /nfs/dbraw/zinc/50/33/77/987503377.db2.gz WZEJVQFULNHJCP-REWPJTCUSA-N 2 0 409.578 3.908 20 0 HHADRP C[N@@H+](Cc1cc(Br)cc(Br)c1N)CC1CC[NH+](C)CC1 ZINC000469913110 987543251 /nfs/dbraw/zinc/54/32/51/987543251.db2.gz AGLRFUDGBCXYIT-UHFFFAOYSA-N 2 0 405.178 3.567 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000470047099 987936302 /nfs/dbraw/zinc/93/63/02/987936302.db2.gz RGYKKQZGTDYJRL-FQEVSTJZSA-N 2 0 422.495 3.869 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000470047100 987936369 /nfs/dbraw/zinc/93/63/69/987936369.db2.gz RGYKKQZGTDYJRL-HXUWFJFHSA-N 2 0 422.495 3.869 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000463965946 988078687 /nfs/dbraw/zinc/07/86/87/988078687.db2.gz GDDMLHPIZHQLKB-OPYAIIAOSA-N 2 0 416.591 3.860 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470268608 988218078 /nfs/dbraw/zinc/21/80/78/988218078.db2.gz NKWFWWXDGHNPSM-HXUWFJFHSA-N 2 0 413.566 3.838 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1C ZINC000470278856 988233197 /nfs/dbraw/zinc/23/31/97/988233197.db2.gz HYSVVSMJJKJZDT-MNEFBYGVSA-N 2 0 414.516 3.822 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470280708 988235325 /nfs/dbraw/zinc/23/53/25/988235325.db2.gz QORIQUWIAAOZFV-LJQANCHMSA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287009 988243627 /nfs/dbraw/zinc/24/36/27/988243627.db2.gz XUNASMJNLPZOTK-LPHOPBHVSA-N 2 0 414.516 3.585 20 0 HHADRP C[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470520144 988518764 /nfs/dbraw/zinc/51/87/64/988518764.db2.gz IDLSHLZYJLXKAH-FQEVSTJZSA-N 2 0 400.526 3.984 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000470737615 988773768 /nfs/dbraw/zinc/77/37/68/988773768.db2.gz QOMQTUADAJAULA-HXUWFJFHSA-N 2 0 419.013 3.678 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470744486 988783753 /nfs/dbraw/zinc/78/37/53/988783753.db2.gz GYMNJHQBNLPOKB-XPNTWCBSSA-N 2 0 400.611 3.660 20 0 HHADRP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746103 988786249 /nfs/dbraw/zinc/78/62/49/988786249.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 2 0 406.574 3.567 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748426 988789816 /nfs/dbraw/zinc/78/98/16/988789816.db2.gz WNNWFYUNFHKNQT-LGVFNWMJSA-N 2 0 412.622 3.792 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830837 989071024 /nfs/dbraw/zinc/07/10/24/989071024.db2.gz MPJWFGCNURPBCP-VQTJNVASSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000464953763 989250126 /nfs/dbraw/zinc/25/01/26/989250126.db2.gz RUVSFWPOPZYDDZ-QHCPKHFHSA-N 2 0 400.611 3.696 20 0 HHADRP Cc1ccc(SCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C ZINC000471217170 989359583 /nfs/dbraw/zinc/35/95/83/989359583.db2.gz VXTZRAWHAJTGGD-UHFFFAOYSA-N 2 0 405.652 3.812 20 0 HHADRP Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)c(NC[C@H](c2ccco2)[NH+](C)C)nc1C ZINC000471242889 989388784 /nfs/dbraw/zinc/38/87/84/989388784.db2.gz HSRLUIUNSVRGNT-QZTJIDSGSA-N 2 0 412.538 3.709 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471380222 989558025 /nfs/dbraw/zinc/55/80/25/989558025.db2.gz OWBJLTBDQUJOIT-PLQXJYEYSA-N 2 0 403.570 3.877 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(C)C ZINC000465359559 989709492 /nfs/dbraw/zinc/70/94/92/989709492.db2.gz SXYGRTQKUTXHAE-UHFFFAOYSA-N 2 0 401.595 3.634 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407412 989754303 /nfs/dbraw/zinc/75/43/03/989754303.db2.gz MFURUTAPPFTVNN-GOTSBHOMSA-N 2 0 424.589 3.970 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416864 989763354 /nfs/dbraw/zinc/76/33/54/989763354.db2.gz YFVAFOFYKUUETD-NFBKMPQASA-N 2 0 416.610 3.596 20 0 HHADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431590 989776541 /nfs/dbraw/zinc/77/65/41/989776541.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 2 0 406.574 3.567 20 0 HHADRP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000465435222 989780779 /nfs/dbraw/zinc/78/07/79/989780779.db2.gz BNFANZBVEDGYFE-QFIPXVFZSA-N 2 0 420.601 3.957 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598685 989802179 /nfs/dbraw/zinc/80/21/79/989802179.db2.gz LRQSDICNEGRMQZ-VWNXMTODSA-N 2 0 406.574 3.645 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000471628458 989835936 /nfs/dbraw/zinc/83/59/36/989835936.db2.gz UYVNQFBGGGZLPF-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000465519174 989871851 /nfs/dbraw/zinc/87/18/51/989871851.db2.gz GAZXOGIOPQNTAQ-TXTKFYIRSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000465524823 989881057 /nfs/dbraw/zinc/88/10/57/989881057.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 2 0 420.601 3.741 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524805 989881195 /nfs/dbraw/zinc/88/11/95/989881195.db2.gz DGKPYSQZSGIPED-UKILVPOCSA-N 2 0 420.601 3.987 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000471681884 989885720 /nfs/dbraw/zinc/88/57/20/989885720.db2.gz BKFVYCBOEWNDHH-FQEVSTJZSA-N 2 0 418.379 3.981 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000465533148 989894467 /nfs/dbraw/zinc/89/44/67/989894467.db2.gz JFWPFHVLYBFUBG-SZVBFZGTSA-N 2 0 406.621 3.795 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555709 989918965 /nfs/dbraw/zinc/91/89/65/989918965.db2.gz YTUMEWAKMNNPCI-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711157 990096489 /nfs/dbraw/zinc/09/64/89/990096489.db2.gz GQLACGJOHPVKSC-DHIUTWEWSA-N 2 0 400.611 3.975 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720271 990105724 /nfs/dbraw/zinc/10/57/24/990105724.db2.gz OECVPQHJARCGGS-JTHBVZDNSA-N 2 0 400.611 3.833 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720270 990105777 /nfs/dbraw/zinc/10/57/77/990105777.db2.gz OECVPQHJARCGGS-GMAHTHKFSA-N 2 0 400.611 3.833 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000465817611 990200781 /nfs/dbraw/zinc/20/07/81/990200781.db2.gz SZIRQIMRJLMBEF-DEOSSOPVSA-N 2 0 408.590 3.802 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823517 990206965 /nfs/dbraw/zinc/20/69/65/990206965.db2.gz XWGXCSGALFCTEI-FGZHOGPDSA-N 2 0 412.578 3.826 20 0 HHADRP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c1C ZINC000472046903 990214457 /nfs/dbraw/zinc/21/44/57/990214457.db2.gz HRDBHOKHDCWLKC-OAQYLSRUSA-N 2 0 404.558 3.772 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876944 990992943 /nfs/dbraw/zinc/99/29/43/990992943.db2.gz MKYLQSAOZDBVGB-SYYKKAFVSA-N 2 0 414.619 3.951 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000465878398 990994979 /nfs/dbraw/zinc/99/49/79/990994979.db2.gz XQGWVMBQKWHXHC-QFIPXVFZSA-N 2 0 422.658 3.564 20 0 HHADRP C[C@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466022649 991191060 /nfs/dbraw/zinc/19/10/60/991191060.db2.gz OMQVUFGGFSCNFP-IBGZPJMESA-N 2 0 412.553 3.693 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000466024547 991193943 /nfs/dbraw/zinc/19/39/43/991193943.db2.gz DBGUQKKTMYBEAV-UWJYYQICSA-N 2 0 418.582 3.831 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000466054388 991225573 /nfs/dbraw/zinc/22/55/73/991225573.db2.gz WSTFWYIRUIKWQM-NVXWUHKLSA-N 2 0 415.409 3.939 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466082779 991260115 /nfs/dbraw/zinc/26/01/15/991260115.db2.gz WNUOLMPIUAAUJY-DYXWJJEUSA-N 2 0 404.624 3.791 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466092815 991271685 /nfs/dbraw/zinc/27/16/85/991271685.db2.gz BDXMGADONLTMPP-FPOVZHCZSA-N 2 0 404.624 3.648 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000466097552 991275897 /nfs/dbraw/zinc/27/58/97/991275897.db2.gz HKDAGUGSKXQCMS-DYESRHJHSA-N 2 0 416.591 3.893 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466137020 991318195 /nfs/dbraw/zinc/31/81/95/991318195.db2.gz GRRDXLRFEMUXGP-GBXCKJPGSA-N 2 0 406.574 3.613 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466199556 991396646 /nfs/dbraw/zinc/39/66/46/991396646.db2.gz FDTYNGBGHCYSLR-CYFREDJKSA-N 2 0 424.564 3.752 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466289121 991537877 /nfs/dbraw/zinc/53/78/77/991537877.db2.gz TXKKXEFOMWEQMS-HUVFLSCGSA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000466728869 992039666 /nfs/dbraw/zinc/03/96/66/992039666.db2.gz QDWGUWIXDLDPAA-HXUWFJFHSA-N 2 0 411.590 3.840 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000466908263 992224527 /nfs/dbraw/zinc/22/45/27/992224527.db2.gz QGANUXCWLLUOQF-FQEVSTJZSA-N 2 0 409.574 3.594 20 0 HHADRP O=C(C[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1)NC1CC[NH+](C2CC2)CC1 ZINC000466924959 992237652 /nfs/dbraw/zinc/23/76/52/992237652.db2.gz LZJFWFRWXQBGKO-SFHVURJKSA-N 2 0 411.615 3.899 20 0 HHADRP Clc1cccc(-c2noc(CC[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000466936783 992247364 /nfs/dbraw/zinc/24/73/64/992247364.db2.gz WBJFKVCPHXDMRR-UHFFFAOYSA-N 2 0 404.942 3.509 20 0 HHADRP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467080032 992385612 /nfs/dbraw/zinc/38/56/12/992385612.db2.gz CDBDCEPIZKKORY-XMMPIXPASA-N 2 0 408.590 3.597 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098512 992404587 /nfs/dbraw/zinc/40/45/87/992404587.db2.gz BEJLCWIAOBCZFF-REWPJTCUSA-N 2 0 400.611 3.587 20 0 HHADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361878 992680244 /nfs/dbraw/zinc/68/02/44/992680244.db2.gz KJWZQGRKTWBAQQ-PZUNEJSGSA-N 2 0 403.570 3.575 20 0 HHADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467361879 992680469 /nfs/dbraw/zinc/68/04/69/992680469.db2.gz KJWZQGRKTWBAQQ-QLBJFCOMSA-N 2 0 403.570 3.575 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467418982 992720679 /nfs/dbraw/zinc/72/06/79/992720679.db2.gz LSXMOOIGLLOXTL-OAQYLSRUSA-N 2 0 424.427 3.534 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000467739643 992989066 /nfs/dbraw/zinc/98/90/66/992989066.db2.gz HEDKVQLARAMFJZ-HXUWFJFHSA-N 2 0 421.354 3.918 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000467835738 993067520 /nfs/dbraw/zinc/06/75/20/993067520.db2.gz YBWDPPAQDZBXOW-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313980 993325255 /nfs/dbraw/zinc/32/52/55/993325255.db2.gz LEOXRJMTPRVQES-ZEQRLZLVSA-N 2 0 412.622 3.662 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@H](C)C1 ZINC000480721561 993589263 /nfs/dbraw/zinc/58/92/63/993589263.db2.gz NDZCNEWTAJVFTC-FGSXEWAUSA-N 2 0 402.583 3.758 20 0 HHADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000480745938 993612943 /nfs/dbraw/zinc/61/29/43/993612943.db2.gz AOFFORMYLFESAI-RUZDIDTESA-N 2 0 415.585 3.910 20 0 HHADRP C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480755213 993621882 /nfs/dbraw/zinc/62/18/82/993621882.db2.gz GCZKYSSCYHMONV-LJQANCHMSA-N 2 0 417.619 3.545 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480760020 993625053 /nfs/dbraw/zinc/62/50/53/993625053.db2.gz APRYCUUEGMCLCJ-GOSISDBHSA-N 2 0 404.002 3.902 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480764510 993629103 /nfs/dbraw/zinc/62/91/03/993629103.db2.gz BEXACOLVNUGCGP-IBGZPJMESA-N 2 0 410.400 3.670 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480773706 993639679 /nfs/dbraw/zinc/63/96/79/993639679.db2.gz KGIHAEHYQUOABL-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480775682 993640890 /nfs/dbraw/zinc/64/08/90/993640890.db2.gz PSWKYLJPPBTCAQ-OAQYLSRUSA-N 2 0 421.589 3.592 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777332 993643193 /nfs/dbraw/zinc/64/31/93/993643193.db2.gz HSDHJDYPOSEAES-NQIIRXRSSA-N 3 0 412.544 3.537 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778539 993644879 /nfs/dbraw/zinc/64/48/79/993644879.db2.gz IDTJQJJURRDFHQ-DVECYGJZSA-N 2 0 420.601 3.946 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC(F)F ZINC000480899697 993756898 /nfs/dbraw/zinc/75/68/98/993756898.db2.gz LMNXVINQGLSOJJ-KRWDZBQOSA-N 2 0 419.516 3.895 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480970148 993810946 /nfs/dbraw/zinc/81/09/46/993810946.db2.gz XMWNTDBKIRDTCI-MBSDFSHPSA-N 2 0 412.553 3.781 20 0 HHADRP CCS[C@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000481019078 993862103 /nfs/dbraw/zinc/86/21/03/993862103.db2.gz SPXNEMARJLEZDP-FQEVSTJZSA-N 2 0 407.649 3.782 20 0 HHADRP CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036851 993881401 /nfs/dbraw/zinc/88/14/01/993881401.db2.gz OCLPWLMNBFNTPW-DENIHFKCSA-N 2 0 403.636 3.763 20 0 HHADRP O=C(CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000481191076 994023104 /nfs/dbraw/zinc/02/31/04/994023104.db2.gz NSWZPYMJFJIQHV-DHIUTWEWSA-N 2 0 406.574 3.511 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000481305458 994122360 /nfs/dbraw/zinc/12/23/60/994122360.db2.gz GKUALWJKVUZPPD-MSOLQXFVSA-N 2 0 404.514 3.942 20 0 HHADRP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473298461 994154050 /nfs/dbraw/zinc/15/40/50/994154050.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 2 0 409.549 3.676 20 0 HHADRP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000481409698 994244574 /nfs/dbraw/zinc/24/45/74/994244574.db2.gz VEPLWNFNCHVILL-OAHLLOKOSA-N 2 0 420.351 3.679 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539119 994370498 /nfs/dbraw/zinc/37/04/98/994370498.db2.gz YESLOLNDKQKKNC-JPYJTQIMSA-N 2 0 411.546 3.595 20 0 HHADRP C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000481580567 994419587 /nfs/dbraw/zinc/41/95/87/994419587.db2.gz KLHCZFYNDDSMSU-AWEZNQCLSA-N 2 0 421.335 3.969 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000473744650 994647846 /nfs/dbraw/zinc/64/78/46/994647846.db2.gz QKOCBOJTZOWPFQ-HSZRJFAPSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000473749972 994657399 /nfs/dbraw/zinc/65/73/99/994657399.db2.gz VYWKLNURZUILNA-GZOXUSKESA-N 2 0 424.589 3.905 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473827310 994757361 /nfs/dbraw/zinc/75/73/61/994757361.db2.gz HCDKLUUGQHANPU-UHFFFAOYSA-N 2 0 403.615 3.660 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC000473836034 994769420 /nfs/dbraw/zinc/76/94/20/994769420.db2.gz LJRRBSKXWCCCGD-DEOSSOPVSA-N 2 0 421.589 3.787 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)c2)CC1 ZINC000473838647 994773915 /nfs/dbraw/zinc/77/39/15/994773915.db2.gz YANLJQRQUOJHIE-UHFFFAOYSA-N 2 0 413.610 3.605 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC3CC[NH+](CCC(C)C)CC3)c2)CC1 ZINC000473839160 994774011 /nfs/dbraw/zinc/77/40/11/994774011.db2.gz YVFBQVWFLKJEPC-UHFFFAOYSA-N 2 0 415.626 3.708 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000473839420 994774995 /nfs/dbraw/zinc/77/49/95/994774995.db2.gz IPARYJZNVWXBOZ-FQEVSTJZSA-N 2 0 401.599 3.605 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906142 994777919 /nfs/dbraw/zinc/77/79/19/994777919.db2.gz CONCBHKCVALYPR-IFMALSPDSA-N 2 0 412.622 3.992 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481907032 994779180 /nfs/dbraw/zinc/77/91/80/994779180.db2.gz GRCXKAQINAAHDC-RPBOFIJWSA-N 2 0 420.601 3.944 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000473880463 994827290 /nfs/dbraw/zinc/82/72/90/994827290.db2.gz WRSHWXHXCFAXLE-WOJBJXKFSA-N 2 0 408.590 3.704 20 0 HHADRP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000481997589 994898789 /nfs/dbraw/zinc/89/87/89/994898789.db2.gz IURKMMQEWRIKMR-UHFFFAOYSA-N 2 0 412.530 3.810 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473962914 994943977 /nfs/dbraw/zinc/94/39/77/994943977.db2.gz HDCVTAPICLNPAA-FUPPJEDESA-N 2 0 400.611 3.974 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000473984592 994971698 /nfs/dbraw/zinc/97/16/98/994971698.db2.gz BDWFAULYYYNPIS-UHFFFAOYSA-N 2 0 404.986 3.621 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1)C1CCOCC1 ZINC000474055367 995044131 /nfs/dbraw/zinc/04/41/31/995044131.db2.gz SSGYJBOAJLACIK-NQHRYMMQSA-N 2 0 416.606 3.861 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC(F)(F)F ZINC000482108228 995055400 /nfs/dbraw/zinc/05/54/00/995055400.db2.gz GXCLLHQOJWVBBM-QGZVFWFLSA-N 2 0 408.468 3.843 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000482130948 995080268 /nfs/dbraw/zinc/08/02/68/995080268.db2.gz VHZMENOIBFTGNA-KRWDZBQOSA-N 2 0 408.468 3.843 20 0 HHADRP O=C(C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000474208112 995203184 /nfs/dbraw/zinc/20/31/84/995203184.db2.gz MVJUHZLRXXPCKC-UHFFFAOYSA-N 2 0 409.496 3.628 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000482244452 995225472 /nfs/dbraw/zinc/22/54/72/995225472.db2.gz NYLBCUZDWUREAP-GOSISDBHSA-N 2 0 405.542 3.991 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000482342981 995321824 /nfs/dbraw/zinc/32/18/24/995321824.db2.gz GIDVXQFNPUWGBG-KRWDZBQOSA-N 2 0 414.331 3.826 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000474366089 995345926 /nfs/dbraw/zinc/34/59/26/995345926.db2.gz FBJRXBDXOBBNMO-UHFFFAOYSA-N 2 0 410.587 3.732 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000482432953 995426019 /nfs/dbraw/zinc/42/60/19/995426019.db2.gz CLICOPDUCHWDPA-FXAWDEMLSA-N 2 0 414.619 3.669 20 0 HHADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000482445321 995442968 /nfs/dbraw/zinc/44/29/68/995442968.db2.gz JAWYOQONFJIKHC-UHFFFAOYSA-N 2 0 407.558 3.939 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4cnn(C)c4)nc3)cc2)C1 ZINC000474487929 995445725 /nfs/dbraw/zinc/44/57/25/995445725.db2.gz WLKVZSUROHNUNP-OALUTQOASA-N 2 0 404.562 3.645 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000474527379 995493240 /nfs/dbraw/zinc/49/32/40/995493240.db2.gz XIMZWMIXPYFMHZ-JDBUVZGPSA-N 2 0 412.622 3.516 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CC2 ZINC000482542251 995550315 /nfs/dbraw/zinc/55/03/15/995550315.db2.gz XOFQRZDMAAWGEY-UHFFFAOYSA-N 2 0 419.569 3.566 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000482560865 995567285 /nfs/dbraw/zinc/56/72/85/995567285.db2.gz UBVAUUHPXXBSAJ-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482584438 995586681 /nfs/dbraw/zinc/58/66/81/995586681.db2.gz WGDFLWAVUZXJIK-ZEQRLZLVSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cn(Cc4ccccc4)nc3C(C)(C)C)CC2)CC1 ZINC000482609258 995606715 /nfs/dbraw/zinc/60/67/15/995606715.db2.gz VQICGIILRPPUHT-UHFFFAOYSA-N 2 0 423.649 3.877 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482644424 995639706 /nfs/dbraw/zinc/63/97/06/995639706.db2.gz VBSJYGCCJWREHK-GMAHTHKFSA-N 2 0 407.558 3.696 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647420 995642323 /nfs/dbraw/zinc/64/23/23/995642323.db2.gz AYUHKLAAYFGZAI-UZLBHIALSA-N 2 0 417.500 3.836 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647415 995642372 /nfs/dbraw/zinc/64/23/72/995642372.db2.gz AYUHKLAAYFGZAI-OXJNMPFZSA-N 2 0 417.500 3.836 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474717645 995655665 /nfs/dbraw/zinc/65/56/65/995655665.db2.gz FQIDMPNRYWTFPQ-OAHLLOKOSA-N 2 0 409.290 3.794 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474726123 995661931 /nfs/dbraw/zinc/66/19/31/995661931.db2.gz GHOSMTNMDSLIBF-LMDPOFIKSA-N 2 0 413.532 3.726 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000474743982 995676772 /nfs/dbraw/zinc/67/67/72/995676772.db2.gz UIXLCSUFTLPNRX-OFVILXPXSA-N 2 0 405.586 3.946 20 0 HHADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474884040 995777118 /nfs/dbraw/zinc/77/71/18/995777118.db2.gz BQKSPWYTOXIEJX-KANFNMMFSA-N 2 0 420.022 3.772 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000482873157 995807435 /nfs/dbraw/zinc/80/74/35/995807435.db2.gz KHSBSABOMSVPSW-GOSISDBHSA-N 2 0 411.546 3.979 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015812 995871895 /nfs/dbraw/zinc/87/18/95/995871895.db2.gz KLLJINOZIUAJMS-RTWAWAEBSA-N 2 0 412.603 3.801 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482967956 995888251 /nfs/dbraw/zinc/88/82/51/995888251.db2.gz YUALLIWYHXSLOA-UHFFFAOYSA-N 2 0 423.601 3.936 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475119767 995934617 /nfs/dbraw/zinc/93/46/17/995934617.db2.gz QGHLLJCYVVENCR-RUZDIDTESA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120594 995987763 /nfs/dbraw/zinc/98/77/63/995987763.db2.gz OULUTYSIZIYEOD-GOSISDBHSA-N 2 0 405.583 3.595 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000483136104 995996642 /nfs/dbraw/zinc/99/66/42/995996642.db2.gz HKCHHQSWWYVQRI-AWEZNQCLSA-N 2 0 408.801 3.688 20 0 HHADRP Fc1ccc(I)c(F)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000475237086 996016289 /nfs/dbraw/zinc/01/62/89/996016289.db2.gz RXSJIVYHIUMGJO-UHFFFAOYSA-N 2 0 406.258 3.533 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288431 996047037 /nfs/dbraw/zinc/04/70/37/996047037.db2.gz YXLBZKZUXUMWMP-ICSRJNTNSA-N 2 0 411.546 3.533 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288432 996047143 /nfs/dbraw/zinc/04/71/43/996047143.db2.gz YXLBZKZUXUMWMP-QUCCMNQESA-N 2 0 411.546 3.533 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288433 996047335 /nfs/dbraw/zinc/04/73/35/996047335.db2.gz YXLBZKZUXUMWMP-UYAOXDASSA-N 2 0 411.546 3.533 20 0 HHADRP COCCN(C)c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000483291911 996083773 /nfs/dbraw/zinc/08/37/73/996083773.db2.gz FYPQSZJOBJCBLG-UHFFFAOYSA-N 2 0 408.590 3.652 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487171 996212770 /nfs/dbraw/zinc/21/27/70/996212770.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 2 0 424.585 3.559 20 0 HHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000483521385 996230733 /nfs/dbraw/zinc/23/07/33/996230733.db2.gz XVFIAFSVBVAEOZ-GOSISDBHSA-N 2 0 417.001 3.522 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483523475 996231772 /nfs/dbraw/zinc/23/17/72/996231772.db2.gz KMOPITFYFSLYCQ-GOSISDBHSA-N 2 0 406.546 3.637 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725907 996326070 /nfs/dbraw/zinc/32/60/70/996326070.db2.gz PXPAJMGPTACJNW-QFBILLFUSA-N 2 0 410.400 3.590 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737281 996335657 /nfs/dbraw/zinc/33/56/57/996335657.db2.gz LBPKYTAHOAQBKC-RSXGOPAZSA-N 2 0 424.585 3.561 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705951 996339549 /nfs/dbraw/zinc/33/95/49/996339549.db2.gz DDIOXJQQPUQPKK-VCOUNFBDSA-N 2 0 404.599 3.592 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705948 996339591 /nfs/dbraw/zinc/33/95/91/996339591.db2.gz DDIOXJQQPUQPKK-CBQOVEMMSA-N 2 0 404.599 3.592 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C[C@H]1C ZINC000483715965 996346586 /nfs/dbraw/zinc/34/65/86/996346586.db2.gz XXQKKXICNDYPBF-MZKRTTBSSA-N 2 0 400.611 3.933 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000483757538 996368851 /nfs/dbraw/zinc/36/88/51/996368851.db2.gz MWROOLLWCVQHQT-UHFFFAOYSA-N 2 0 424.699 3.892 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000475921254 996472900 /nfs/dbraw/zinc/47/29/00/996472900.db2.gz SVDVINAZUWUWFE-UHFFFAOYSA-N 2 0 422.770 3.587 20 0 HHADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483982763 996504967 /nfs/dbraw/zinc/50/49/67/996504967.db2.gz VQUPAVWYHORLGT-URXFXBBRSA-N 2 0 420.601 3.992 20 0 HHADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000484467892 996787574 /nfs/dbraw/zinc/78/75/74/996787574.db2.gz AACVWISPTPPHMY-UYAOXDASSA-N 2 0 413.562 3.574 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCC3)cc1 ZINC000484478617 996798549 /nfs/dbraw/zinc/79/85/49/996798549.db2.gz DFRYMZQXRAFYKU-FQEVSTJZSA-N 2 0 414.619 3.812 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488277 996809311 /nfs/dbraw/zinc/80/93/11/996809311.db2.gz UVZDEAJGKWNMBO-SCTDSRPQSA-N 2 0 413.400 3.943 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000476392060 996842068 /nfs/dbraw/zinc/84/20/68/996842068.db2.gz OAVAZERBOPSMJA-UHFFFAOYSA-N 2 0 412.553 3.693 20 0 HHADRP CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476442457 996913934 /nfs/dbraw/zinc/91/39/34/996913934.db2.gz WMFSIOBNTGKERT-QHCPKHFHSA-N 2 0 406.574 3.793 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000476569635 997066238 /nfs/dbraw/zinc/06/62/38/997066238.db2.gz IPCCNSNHLYWSOI-VWLOTQADSA-N 2 0 420.601 3.861 20 0 HHADRP CCN(C(=O)Cn1c(C)nc2cc(F)c(F)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476687356 997226617 /nfs/dbraw/zinc/22/66/17/997226617.db2.gz GRAJPSAKUBHYCL-GOSISDBHSA-N 2 0 412.484 3.746 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000476978474 997597558 /nfs/dbraw/zinc/59/75/58/997597558.db2.gz CEPRFDUXBKWROC-GOSISDBHSA-N 2 0 423.548 3.881 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000476981609 997603212 /nfs/dbraw/zinc/60/32/12/997603212.db2.gz JFIUXDYVRFJJBK-HXUWFJFHSA-N 2 0 422.635 3.836 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000485232219 997608609 /nfs/dbraw/zinc/60/86/09/997608609.db2.gz QEAJDNRFKXUBJG-QHCPKHFHSA-N 2 0 412.553 3.640 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476990988 997617235 /nfs/dbraw/zinc/61/72/35/997617235.db2.gz XZCJSCWRSQJBLJ-UXHICEINSA-N 2 0 401.595 3.676 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485308849 997717440 /nfs/dbraw/zinc/71/74/40/997717440.db2.gz HXTDCRYEPKFUQK-DIMPSALBSA-N 2 0 410.606 3.842 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385770 997813814 /nfs/dbraw/zinc/81/38/14/997813814.db2.gz OJIAKAHBLNPHHV-FBBABVLZSA-N 2 0 400.592 3.561 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000485395652 997823994 /nfs/dbraw/zinc/82/39/94/997823994.db2.gz GLSCRBZWBAWCDA-VIZSFHNOSA-N 2 0 400.611 3.648 20 0 HHADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000485400528 997831619 /nfs/dbraw/zinc/83/16/19/997831619.db2.gz BVUOWNGPOQJSSE-PMACEKPBSA-N 2 0 417.594 3.625 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000477218127 997891353 /nfs/dbraw/zinc/89/13/53/997891353.db2.gz FVTLNTWHQNUBEO-LJQANCHMSA-N 2 0 414.516 3.653 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465655 997910551 /nfs/dbraw/zinc/91/05/51/997910551.db2.gz OGNVOYMDTLXLJE-HSALFYBXSA-N 2 0 404.624 3.647 20 0 HHADRP O[C@H](COCc1ccccc1F)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485572 997938145 /nfs/dbraw/zinc/93/81/45/997938145.db2.gz GAGZZCPXYMDHLY-QHCPKHFHSA-N 2 0 412.549 3.691 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485492167 997944185 /nfs/dbraw/zinc/94/41/85/997944185.db2.gz LMZNNNBTBYUEKR-IBGZPJMESA-N 2 0 404.624 3.620 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485501374 997957760 /nfs/dbraw/zinc/95/77/60/997957760.db2.gz KUSZFQCVWSVAFU-VWNXMTODSA-N 2 0 412.622 3.947 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616733 998064288 /nfs/dbraw/zinc/06/42/88/998064288.db2.gz SCOYMBMQABTCGM-TZRRMPRUSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000477968279 998688804 /nfs/dbraw/zinc/68/88/04/998688804.db2.gz QTFXVQVMJVXBOM-SIKLNZKXSA-N 2 0 400.567 3.642 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477998472 998706772 /nfs/dbraw/zinc/70/67/72/998706772.db2.gz VEZIQJMSBXCQGI-OAQYLSRUSA-N 2 0 415.528 3.767 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000478008592 998710933 /nfs/dbraw/zinc/71/09/33/998710933.db2.gz DDALUVRRDWJFSE-XMMPIXPASA-N 2 0 412.622 3.993 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031563 998724195 /nfs/dbraw/zinc/72/41/95/998724195.db2.gz VFOXQDKYZXCQKS-UXHICEINSA-N 2 0 400.592 3.561 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045173 998732300 /nfs/dbraw/zinc/73/23/00/998732300.db2.gz WHPDCDQCHPDPSC-GMKZXUHWSA-N 2 0 410.606 3.555 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477930 998787500 /nfs/dbraw/zinc/78/75/00/998787500.db2.gz PQVXDSTYBYZFBV-WWNPGLIZSA-N 2 0 424.589 3.935 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000478185957 998810558 /nfs/dbraw/zinc/81/05/58/998810558.db2.gz XGOHUGWTABUJGR-IYBDPMFKSA-N 2 0 406.368 3.976 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000487016179 999037467 /nfs/dbraw/zinc/03/74/67/999037467.db2.gz ZOJQKSCSJVUSJY-DEOSSOPVSA-N 2 0 405.586 3.967 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487213451 999098791 /nfs/dbraw/zinc/09/87/91/999098791.db2.gz VJVGXOXWSLVHNR-HARLFGEKSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487262251 999116661 /nfs/dbraw/zinc/11/66/61/999116661.db2.gz AYSABSOKHYZCLW-HYBUGGRVSA-N 2 0 423.626 3.876 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000478892539 999198075 /nfs/dbraw/zinc/19/80/75/999198075.db2.gz NDGGJXSKNIXJJX-HDICACEKSA-N 2 0 410.562 3.659 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000478903667 999202719 /nfs/dbraw/zinc/20/27/19/999202719.db2.gz XOWYINBJOGNBGP-OFVILXPXSA-N 2 0 420.601 3.656 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000478935577 999213237 /nfs/dbraw/zinc/21/32/37/999213237.db2.gz YNEFHSLYAWJROL-GBXCKJPGSA-N 2 0 408.590 3.950 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000478935579 999213297 /nfs/dbraw/zinc/21/32/97/999213297.db2.gz YNEFHSLYAWJROL-RDPSFJRHSA-N 2 0 408.590 3.950 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](C)C ZINC000487759254 999279424 /nfs/dbraw/zinc/27/94/24/999279424.db2.gz YXHDBIWDVGHJRV-AUSIDOKSSA-N 2 0 400.611 3.940 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479252414 999348076 /nfs/dbraw/zinc/34/80/76/999348076.db2.gz BUSDUCIECRGGQX-NRFANRHFSA-N 2 0 402.380 3.766 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479283896 999364550 /nfs/dbraw/zinc/36/45/50/999364550.db2.gz PGRZFSNYTFNTOD-OLZOCXBDSA-N 2 0 408.306 3.754 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000479314320 999380087 /nfs/dbraw/zinc/38/00/87/999380087.db2.gz VMZKMUQUUSREIN-JKWVGCSGSA-N 2 0 404.986 3.744 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479338301 999392473 /nfs/dbraw/zinc/39/24/73/999392473.db2.gz SPLDENRHIUGPGP-CQSZACIVSA-N 2 0 422.422 3.804 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000479341096 999393833 /nfs/dbraw/zinc/39/38/33/999393833.db2.gz YPTBZSYJISFSOV-GOSISDBHSA-N 2 0 403.592 3.642 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000479344642 999395489 /nfs/dbraw/zinc/39/54/89/999395489.db2.gz FZDJBKBQPIDQNC-OFNKIYASSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000479357091 999401638 /nfs/dbraw/zinc/40/16/38/999401638.db2.gz HNMUQTOQTFKOFM-REWPJTCUSA-N 2 0 400.611 3.790 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437278 999416797 /nfs/dbraw/zinc/41/67/97/999416797.db2.gz LRSXEWIUQVLWJF-LADGPHEKSA-N 2 0 402.542 3.606 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000488375936 999464216 /nfs/dbraw/zinc/46/42/16/999464216.db2.gz LUJJXHALTBVVID-UHFFFAOYSA-N 2 0 416.429 3.523 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000488433467 999485659 /nfs/dbraw/zinc/48/56/59/999485659.db2.gz HLBHWNRVUMUPLI-GOSISDBHSA-N 2 0 403.567 3.633 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000488433468 999485706 /nfs/dbraw/zinc/48/57/06/999485706.db2.gz HLBHWNRVUMUPLI-SFHVURJKSA-N 2 0 403.567 3.633 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506563 999511512 /nfs/dbraw/zinc/51/15/12/999511512.db2.gz ZJVHZMYRNNVDKJ-BWKNWUBXSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506565 999511607 /nfs/dbraw/zinc/51/16/07/999511607.db2.gz ZJVHZMYRNNVDKJ-PXDATVDWSA-N 2 0 405.586 3.925 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546463 999523422 /nfs/dbraw/zinc/52/34/22/999523422.db2.gz KWHSTCZKSRKKJX-YUXAGFNASA-N 2 0 420.548 3.758 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576467 999533429 /nfs/dbraw/zinc/53/34/29/999533429.db2.gz CKEAYLUBOPBCQJ-WTOYTKOKSA-N 2 0 422.564 3.862 20 0 HHADRP c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000488585676 999536448 /nfs/dbraw/zinc/53/64/48/999536448.db2.gz JKNOMQTUVPFIJW-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP C(C[NH+]1CCC(OC2CCCC2)CC1)OCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000488677330 999568728 /nfs/dbraw/zinc/56/87/28/999568728.db2.gz YUDQDEMXTYFTBH-UHFFFAOYSA-N 2 0 408.627 3.850 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479883680 999635462 /nfs/dbraw/zinc/63/54/62/999635462.db2.gz MINAMIQDXPEHOH-QGZVFWFLSA-N 2 0 401.436 3.963 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489222237 999725133 /nfs/dbraw/zinc/72/51/33/999725133.db2.gz GYMQSZNSGNTNPV-HXUWFJFHSA-N 2 0 406.640 3.868 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489230718 999727009 /nfs/dbraw/zinc/72/70/09/999727009.db2.gz HKPDQJHEXKQUDA-HXUWFJFHSA-N 2 0 406.640 3.868 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1S(C)(=O)=O ZINC000480169746 999735747 /nfs/dbraw/zinc/73/57/47/999735747.db2.gz XGWLEZKUTFBJNP-QGZVFWFLSA-N 2 0 402.560 3.545 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244045 999754980 /nfs/dbraw/zinc/75/49/80/999754980.db2.gz UMVGYELZCYGFHA-AQNXPRMDSA-N 2 0 405.546 3.727 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000480272157 999760780 /nfs/dbraw/zinc/76/07/80/999760780.db2.gz AKLPYNVGXHAJOQ-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP COc1ccccc1[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](c3ccccc3OC)C2)C1 ZINC000489421082 999763815 /nfs/dbraw/zinc/76/38/15/999763815.db2.gz GLNVUQXGGQBAHA-VXKWHMMOSA-N 2 0 424.585 3.999 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441931 999768219 /nfs/dbraw/zinc/76/82/19/999768219.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 2 0 420.601 3.815 20 0 HHADRP CCN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000480374754 999783613 /nfs/dbraw/zinc/78/36/13/999783613.db2.gz CCUCHHKNRUVHAT-UHFFFAOYSA-N 2 0 421.511 3.598 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000489527551 999784540 /nfs/dbraw/zinc/78/45/40/999784540.db2.gz QIIYDAQOXPRLPG-RLLQIKCJSA-N 2 0 400.592 3.561 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788342 /nfs/dbraw/zinc/78/83/42/999788342.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 2 0 408.586 3.878 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480434823 999798269 /nfs/dbraw/zinc/79/82/69/999798269.db2.gz IPTZNIBZSHTOCG-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480449558 999801774 /nfs/dbraw/zinc/80/17/74/999801774.db2.gz ZIHLVILMLIGAQS-LJQANCHMSA-N 2 0 415.603 3.919 20 0 HHADRP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631679 999806530 /nfs/dbraw/zinc/80/65/30/999806530.db2.gz DYXGGSRDMAUDMN-GBXCKJPGSA-N 2 0 421.585 3.859 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000489651122 999810246 /nfs/dbraw/zinc/81/02/46/999810246.db2.gz SXMMMAZGXGIXOG-FQEVSTJZSA-N 2 0 411.512 3.631 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000480527975 999818997 /nfs/dbraw/zinc/81/89/97/999818997.db2.gz NRQZTGCNOOLOIN-OALUTQOASA-N 2 0 410.400 3.524 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000480537402 999821312 /nfs/dbraw/zinc/82/13/12/999821312.db2.gz PEYRVTAEFWEEKR-GHTZIAJQSA-N 2 0 400.636 3.965 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)s2)cc1 ZINC000480537898 999821461 /nfs/dbraw/zinc/82/14/61/999821461.db2.gz QGIVHFARUQKDLY-INIZCTEOSA-N 2 0 402.608 3.804 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773160 999835493 /nfs/dbraw/zinc/83/54/93/999835493.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 2 0 420.601 3.515 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000480600802 999837630 /nfs/dbraw/zinc/83/76/30/999837630.db2.gz LVDTUCXMTBSIDA-RTBURBONSA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000480617761 999842364 /nfs/dbraw/zinc/84/23/64/999842364.db2.gz VULHIDMMLUDCCC-XLIONFOSSA-N 2 0 412.416 3.532 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480621550 999843256 /nfs/dbraw/zinc/84/32/56/999843256.db2.gz FMCYHQCXLGOWLG-VQIMIIECSA-N 2 0 402.583 3.942 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480624507 999844048 /nfs/dbraw/zinc/84/40/48/999844048.db2.gz YZXHRBDPXMFTTH-RTBURBONSA-N 2 0 415.603 3.677 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480624505 999844135 /nfs/dbraw/zinc/84/41/35/999844135.db2.gz YZXHRBDPXMFTTH-RBUKOAKNSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822710 999844291 /nfs/dbraw/zinc/84/42/91/999844291.db2.gz ALPXHNMMCNAVAI-XPNTWCBSSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824316 999844459 /nfs/dbraw/zinc/84/44/59/999844459.db2.gz DTSHLMMJLFOLCI-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824315 999844503 /nfs/dbraw/zinc/84/45/03/999844503.db2.gz DTSHLMMJLFOLCI-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838675 999846981 /nfs/dbraw/zinc/84/69/81/999846981.db2.gz UGRSJKXVOFJQOO-URXFXBBRSA-N 2 0 408.590 3.718 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489839146 999847204 /nfs/dbraw/zinc/84/72/04/999847204.db2.gz MSDCVJXSDTWYCN-RUZDIDTESA-N 2 0 420.601 3.646 20 0 HHADRP Brc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000480647346 999850354 /nfs/dbraw/zinc/85/03/54/999850354.db2.gz TTYHLPSVQOLDHM-UHFFFAOYSA-N 2 0 406.368 3.730 20 0 HHADRP CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000480688743 999859863 /nfs/dbraw/zinc/85/98/63/999859863.db2.gz JIOILNNULDRBFF-LJQANCHMSA-N 2 0 412.578 3.872 20 0 HHADRP O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712631 999865789 /nfs/dbraw/zinc/86/57/89/999865789.db2.gz UEMPRNMYSBOYDG-SFHVURJKSA-N 2 0 405.533 3.700 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173575 999904970 /nfs/dbraw/zinc/90/49/70/999904970.db2.gz WMTFQICKPOGSDZ-AVRDEDQJSA-N 2 0 403.517 3.993 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256226 999923036 /nfs/dbraw/zinc/92/30/36/999923036.db2.gz XFVWMXDMCTUUSM-REWPJTCUSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490992454 1000031381 /nfs/dbraw/zinc/03/13/81/1000031381.db2.gz VXRBZEHVLHURID-REWPJTCUSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000491059111 1000040577 /nfs/dbraw/zinc/04/05/77/1000040577.db2.gz JOJHHYIMOJCHEE-LVXARBLLSA-N 2 0 404.602 3.581 20 0 HHADRP CCCC[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000491081035 1000043435 /nfs/dbraw/zinc/04/34/35/1000043435.db2.gz ALUFEFDQWWEKCN-UHFFFAOYSA-N 2 0 414.516 3.655 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491342309 1000066615 /nfs/dbraw/zinc/06/66/15/1000066615.db2.gz IPJLIPXRBHJALJ-OAQYLSRUSA-N 2 0 420.370 3.905 20 0 HHADRP C[NH+]1CCC(n2ccc(NC(=O)NCc3ccccc3C[NH+]3CCCCCC3)n2)CC1 ZINC000491345182 1000067090 /nfs/dbraw/zinc/06/70/90/1000067090.db2.gz GFHIUSQIOSSWCQ-UHFFFAOYSA-N 2 0 424.593 3.848 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000492226257 1000116286 /nfs/dbraw/zinc/11/62/86/1000116286.db2.gz VDTZUFWGFAOSKI-RUZDIDTESA-N 2 0 407.558 3.744 20 0 HHADRP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492294974 1000120417 /nfs/dbraw/zinc/12/04/17/1000120417.db2.gz TUXGDBNBLLUHJH-TZIWHRDSSA-N 2 0 405.542 3.563 20 0 HHADRP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492294973 1000120442 /nfs/dbraw/zinc/12/04/42/1000120442.db2.gz TUXGDBNBLLUHJH-PZJWPPBQSA-N 2 0 405.542 3.563 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492296705 1000120475 /nfs/dbraw/zinc/12/04/75/1000120475.db2.gz YSYRWBJAVJSZBJ-LJQANCHMSA-N 2 0 413.993 3.984 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000493007041 1000153935 /nfs/dbraw/zinc/15/39/35/1000153935.db2.gz GHKJHJHXPVXQDE-QHCPKHFHSA-N 2 0 419.972 3.548 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000493967084 1000242549 /nfs/dbraw/zinc/24/25/49/1000242549.db2.gz DZMFYRVXUJIZPX-HSZRJFAPSA-N 2 0 401.982 3.955 20 0 HHADRP COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521328 1000248626 /nfs/dbraw/zinc/24/86/26/1000248626.db2.gz KPTLFXOSCOPRTF-REWPJTCUSA-N 2 0 421.585 3.654 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653547 1000310338 /nfs/dbraw/zinc/31/03/38/1000310338.db2.gz DPMGVEPYTOVRPR-VXKWHMMOSA-N 2 0 414.638 3.549 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504871240 1000416869 /nfs/dbraw/zinc/41/68/69/1000416869.db2.gz XAUCSCVBVVJFCQ-NQIIRXRSSA-N 2 0 412.603 3.631 20 0 HHADRP Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494584557 1000565011 /nfs/dbraw/zinc/56/50/11/1000565011.db2.gz VLZJWCRDHQBCSK-UHFFFAOYSA-N 2 0 423.601 3.642 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)cc1 ZINC000494908589 1000724566 /nfs/dbraw/zinc/72/45/66/1000724566.db2.gz KBIFGUZRALXRJT-LJQANCHMSA-N 2 0 409.574 3.960 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505415037 1000757582 /nfs/dbraw/zinc/75/75/82/1000757582.db2.gz MSRDOXBAUOCFLL-NRFANRHFSA-N 2 0 401.501 3.522 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495041139 1000794899 /nfs/dbraw/zinc/79/48/99/1000794899.db2.gz GZVRXGOGITYDQB-UGKGYDQZSA-N 2 0 419.585 3.510 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604626 1000930482 /nfs/dbraw/zinc/93/04/82/1000930482.db2.gz SPAYDBHRJVLIDW-RTBURBONSA-N 2 0 407.530 3.624 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000505726790 1000995126 /nfs/dbraw/zinc/99/51/26/1000995126.db2.gz NARSMEAVGBXKRJ-IGKWTDBASA-N 2 0 424.589 3.823 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000505738128 1001000879 /nfs/dbraw/zinc/00/08/79/1001000879.db2.gz MUCODVJMIPSDPP-CVDCTZTESA-N 2 0 411.590 3.826 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030307 1001175031 /nfs/dbraw/zinc/17/50/31/1001175031.db2.gz GHQSLJMMJRNRMH-JOCHJYFZSA-N 2 0 415.622 3.637 20 0 HHADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1cccc2ccccc21 ZINC000506047020 1001189452 /nfs/dbraw/zinc/18/94/52/1001189452.db2.gz GFLQENMUFNTXEC-UHFFFAOYSA-N 2 0 409.574 3.993 20 0 HHADRP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050874 1001191281 /nfs/dbraw/zinc/19/12/81/1001191281.db2.gz FYBYEIDALXDWMF-FPOVZHCZSA-N 2 0 419.635 3.625 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000497215889 1001281821 /nfs/dbraw/zinc/28/18/21/1001281821.db2.gz SYLUHYHEPYHYOV-UHFFFAOYSA-N 2 0 421.511 3.881 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497310187 1001288400 /nfs/dbraw/zinc/28/84/00/1001288400.db2.gz ISJTYPZSIHVYHH-IBGZPJMESA-N 2 0 422.573 3.539 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000506294193 1001334920 /nfs/dbraw/zinc/33/49/20/1001334920.db2.gz HXYXHNAVGZTEHC-UHFFFAOYSA-N 2 0 420.601 3.613 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000506467447 1001426150 /nfs/dbraw/zinc/42/61/50/1001426150.db2.gz GEGGGNGCCPXEKU-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000497565323 1001437849 /nfs/dbraw/zinc/43/78/49/1001437849.db2.gz ZLGXZTDBNSMEQI-HXUWFJFHSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451536 /nfs/dbraw/zinc/45/15/36/1001451536.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 2 0 407.549 3.772 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000497607580 1001456722 /nfs/dbraw/zinc/45/67/22/1001456722.db2.gz MVFZITZLCHSFBD-VGSWGCGISA-N 2 0 400.542 3.686 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497612133 1001458670 /nfs/dbraw/zinc/45/86/70/1001458670.db2.gz RUCWILATIUDCQG-IZBOUPIGSA-N 2 0 400.611 3.878 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000497615487 1001459626 /nfs/dbraw/zinc/45/96/26/1001459626.db2.gz PPHQYAUVPFXOBC-NRFANRHFSA-N 2 0 401.570 3.809 20 0 HHADRP CN(C(=O)N[C@H](C[NH+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497617531 1001460481 /nfs/dbraw/zinc/46/04/81/1001460481.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 2 0 412.622 3.726 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)cc1 ZINC000506621463 1001473982 /nfs/dbraw/zinc/47/39/82/1001473982.db2.gz RPMPCQHXDMOPLX-FUDKSRODSA-N 2 0 400.611 3.894 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000506731640 1001508039 /nfs/dbraw/zinc/50/80/39/1001508039.db2.gz RMIGREMPQRKGEH-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845349 1001534609 /nfs/dbraw/zinc/53/46/09/1001534609.db2.gz NNFJWDNHIONYAN-BGYRXZFFSA-N 2 0 412.574 3.540 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000497900468 1001556790 /nfs/dbraw/zinc/55/67/90/1001556790.db2.gz RPAKSZCLYVAQSU-UHFFFAOYSA-N 2 0 407.480 3.971 20 0 HHADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(C)c1OCc1ccccn1 ZINC000506916841 1001592639 /nfs/dbraw/zinc/59/26/39/1001592639.db2.gz ZGADLYYYWNGGSB-UHFFFAOYSA-N 2 0 409.574 3.822 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1Cl ZINC000498136172 1001657398 /nfs/dbraw/zinc/65/73/98/1001657398.db2.gz JZBOVPUTWAPZTD-IOMROCGXSA-N 2 0 407.002 3.849 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616860 1002017208 /nfs/dbraw/zinc/01/72/08/1002017208.db2.gz JUJQAHCMUPYCCH-UPVQGACJSA-N 2 0 421.585 3.861 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000507383262 1002038762 /nfs/dbraw/zinc/03/87/62/1002038762.db2.gz SJMCWZXNZQVDOW-TXTKFYIRSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691438 1002078283 /nfs/dbraw/zinc/07/82/83/1002078283.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000507460654 1002084296 /nfs/dbraw/zinc/08/42/96/1002084296.db2.gz JBZDQFUHQIHWSS-ROUUACIJSA-N 2 0 413.528 3.802 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000507471223 1002090790 /nfs/dbraw/zinc/09/07/90/1002090790.db2.gz OQIANKZJKDGZHR-QZTJIDSGSA-N 2 0 413.528 3.802 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717171 1002099051 /nfs/dbraw/zinc/09/90/51/1002099051.db2.gz LVTKGWOWBFAOCL-RBBKRZOGSA-N 2 0 412.578 3.572 20 0 HHADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507510912 1002121419 /nfs/dbraw/zinc/12/14/19/1002121419.db2.gz NNJOIVNWZDXVBS-KKUQBAQOSA-N 2 0 413.565 3.897 20 0 HHADRP COC1CC[NH+](C2(CN[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CCCC2)CC1 ZINC000507537425 1002145376 /nfs/dbraw/zinc/14/53/76/1002145376.db2.gz YBGIBMONPAOFFR-QLBJFCOMSA-N 2 0 411.634 3.910 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(OC2CCCC2)cc1 ZINC000498813303 1002197504 /nfs/dbraw/zinc/19/75/04/1002197504.db2.gz IBNBZKMJXWBCOL-UHFFFAOYSA-N 2 0 423.561 3.737 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102064 1002492911 /nfs/dbraw/zinc/49/29/11/1002492911.db2.gz QDSWICGKVVXSLQ-IEXUWNMDSA-N 2 0 424.589 3.508 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114487 1002503660 /nfs/dbraw/zinc/50/36/60/1002503660.db2.gz XVFJKMLFMYZYNP-NPDDRXJXSA-N 2 0 412.578 3.919 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162183 1002548190 /nfs/dbraw/zinc/54/81/90/1002548190.db2.gz AHROVFHJUIEVHO-XDZVQPMWSA-N 2 0 405.586 3.845 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC000499163504 1002549437 /nfs/dbraw/zinc/54/94/37/1002549437.db2.gz WFGSAQCLYRETPY-OJXFFNQFSA-N 3 0 418.629 3.589 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221127 1002606873 /nfs/dbraw/zinc/60/68/73/1002606873.db2.gz CYASOIIQNAEJGW-KQPVPGJTSA-N 2 0 418.629 3.982 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000499517984 1002907152 /nfs/dbraw/zinc/90/71/52/1002907152.db2.gz FXZWWCAARPTEKA-SFHVURJKSA-N 2 0 421.010 3.952 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508478584 1002963135 /nfs/dbraw/zinc/96/31/35/1002963135.db2.gz SVBTWIFXMNAVPT-FQEVSTJZSA-N 2 0 415.628 3.864 20 0 HHADRP O=C(C[NH+]1CCC(COc2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000508508794 1002991011 /nfs/dbraw/zinc/99/10/11/1002991011.db2.gz ZSLKZXBREZHWMI-UHFFFAOYSA-N 2 0 421.585 3.690 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662561 1003021472 /nfs/dbraw/zinc/02/14/72/1003021472.db2.gz HOOIPNQLGHPVAH-XUZZJYLKSA-N 2 0 404.602 3.724 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000508604197 1003059750 /nfs/dbraw/zinc/05/97/50/1003059750.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 2 0 422.617 3.596 20 0 HHADRP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699971 1003138147 /nfs/dbraw/zinc/13/81/47/1003138147.db2.gz PKRGUNZVTGYIRH-UNMCSNQZSA-N 2 0 422.569 3.964 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852679 1003273097 /nfs/dbraw/zinc/27/30/97/1003273097.db2.gz MWVIOGMYMUKUQS-HYBUGGRVSA-N 2 0 408.590 3.984 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508853327 1003273154 /nfs/dbraw/zinc/27/31/54/1003273154.db2.gz QUWOPQQSLKVYCV-AUSIDOKSSA-N 2 0 409.578 3.560 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000508883000 1003306441 /nfs/dbraw/zinc/30/64/41/1003306441.db2.gz SMDQJZLHACLKML-OFNKIYASSA-N 2 0 418.626 3.519 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000508889997 1003317515 /nfs/dbraw/zinc/31/75/15/1003317515.db2.gz FHGRXFFTLPQEKR-HYBUGGRVSA-N 2 0 423.605 3.939 20 0 HHADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508915246 1003354301 /nfs/dbraw/zinc/35/43/01/1003354301.db2.gz FFJVFRBPKAZFHZ-HYBUGGRVSA-N 2 0 408.590 3.984 20 0 HHADRP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000509277950 1003675248 /nfs/dbraw/zinc/67/52/48/1003675248.db2.gz DAODINPZDZASNO-IBGZPJMESA-N 2 0 422.411 3.835 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482196 1003740505 /nfs/dbraw/zinc/74/05/05/1003740505.db2.gz BIDUKZQWJLGLOR-QPPBQGQZSA-N 2 0 421.585 3.667 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511844267 1003821346 /nfs/dbraw/zinc/82/13/46/1003821346.db2.gz RPLMWRQVZFWNMJ-HXUWFJFHSA-N 2 0 405.464 3.771 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604398 1003974133 /nfs/dbraw/zinc/97/41/33/1003974133.db2.gz SWZMASLESVOBLA-WIYYLYMNSA-N 2 0 413.566 3.662 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)CC1 ZINC000512125339 1004040727 /nfs/dbraw/zinc/04/07/27/1004040727.db2.gz WWKOCBPMJNXODP-UHFFFAOYSA-N 2 0 421.511 3.539 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000512171564 1004074747 /nfs/dbraw/zinc/07/47/47/1004074747.db2.gz HKKZYILGYQANPV-XMMPIXPASA-N 2 0 422.617 3.891 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183737 1004085892 /nfs/dbraw/zinc/08/58/92/1004085892.db2.gz VXHDVBSXIVSYFI-CALCHBBNSA-N 2 0 400.485 3.949 20 0 HHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512197133 1004097294 /nfs/dbraw/zinc/09/72/94/1004097294.db2.gz SJWRWXFIPBEAGZ-BGYRXZFFSA-N 2 0 410.606 3.869 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)CC1 ZINC000501013371 1004116781 /nfs/dbraw/zinc/11/67/81/1004116781.db2.gz ZNWCCJLZADJOSS-UHFFFAOYSA-N 2 0 415.601 3.507 20 0 HHADRP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021602 1004123968 /nfs/dbraw/zinc/12/39/68/1004123968.db2.gz GRJVSGNUWSQIBX-GOSISDBHSA-N 2 0 410.587 3.757 20 0 HHADRP C[C@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028470 1004132629 /nfs/dbraw/zinc/13/26/29/1004132629.db2.gz YXMMOPVMDJJSFD-KRWDZBQOSA-N 2 0 400.954 3.761 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135872 /nfs/dbraw/zinc/13/58/72/1004135872.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 2 0 418.585 3.612 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000501034558 1004137860 /nfs/dbraw/zinc/13/78/60/1004137860.db2.gz CBAANLPDPXQTAY-UHFFFAOYSA-N 2 0 406.412 3.954 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000501059667 1004161486 /nfs/dbraw/zinc/16/14/86/1004161486.db2.gz NZQAOLBQFXOYJX-QFIPXVFZSA-N 2 0 401.986 3.567 20 0 HHADRP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071918 1004174608 /nfs/dbraw/zinc/17/46/08/1004174608.db2.gz ARZODEYUFKWUBH-INIZCTEOSA-N 2 0 409.559 3.867 20 0 HHADRP CC(C)[C@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074366 1004178127 /nfs/dbraw/zinc/17/81/27/1004178127.db2.gz HDOYLBAXYMKFKJ-DEOSSOPVSA-N 2 0 412.553 3.882 20 0 HHADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293929 1004197675 /nfs/dbraw/zinc/19/76/75/1004197675.db2.gz NIZSXLUAOYYQQK-LADGPHEKSA-N 2 0 414.977 3.816 20 0 HHADRP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293932 1004198228 /nfs/dbraw/zinc/19/82/28/1004198228.db2.gz NIZSXLUAOYYQQK-UPVQGACJSA-N 2 0 414.977 3.816 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](C)C ZINC000501099984 1004204432 /nfs/dbraw/zinc/20/44/32/1004204432.db2.gz QEDOLQXTQDITEA-VGOFRKELSA-N 2 0 400.542 3.686 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000501164465 1004246841 /nfs/dbraw/zinc/24/68/41/1004246841.db2.gz NOIIDNXUHVMFEE-NRFANRHFSA-N 2 0 400.592 3.658 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512393182 1004266615 /nfs/dbraw/zinc/26/66/15/1004266615.db2.gz OMWXKDOGDMTQQL-OAQYLSRUSA-N 2 0 413.587 3.785 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413263 1004280774 /nfs/dbraw/zinc/28/07/74/1004280774.db2.gz USADKKCDAVUDDX-IFMALSPDSA-N 2 0 412.578 3.654 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423398 1004289754 /nfs/dbraw/zinc/28/97/54/1004289754.db2.gz GIUBKDVVDJMOHE-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424678 1004290823 /nfs/dbraw/zinc/29/08/23/1004290823.db2.gz SHFPAYMENQPXGI-JVICHNFNSA-N 2 0 424.633 3.945 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429942 1004297030 /nfs/dbraw/zinc/29/70/30/1004297030.db2.gz KTSZKRBHUJYQAO-SKWRMQMOSA-N 2 0 400.611 3.801 20 0 HHADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501245050 1004310131 /nfs/dbraw/zinc/31/01/31/1004310131.db2.gz LCSWWHOBJPRFED-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP C[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000510144541 1004354387 /nfs/dbraw/zinc/35/43/87/1004354387.db2.gz LMPFMFQSFIVTFH-FCHUYYIVSA-N 2 0 400.611 3.599 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000510144544 1004354770 /nfs/dbraw/zinc/35/47/70/1004354770.db2.gz LMPFMFQSFIVTFH-YADHBBJMSA-N 2 0 400.611 3.599 20 0 HHADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618279 1004431279 /nfs/dbraw/zinc/43/12/79/1004431279.db2.gz IACZVNHJWFHTPF-YWQGAKJTSA-N 2 0 416.512 3.595 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270831 1004439649 /nfs/dbraw/zinc/43/96/49/1004439649.db2.gz HGYNIQGZVIAQTR-AKIFATBCSA-N 2 0 400.611 3.564 20 0 HHADRP c1ncn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646764 1004458333 /nfs/dbraw/zinc/45/83/33/1004458333.db2.gz CYLLCBQCUGMHRY-GVAUOCQISA-N 2 0 401.558 3.717 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000512660378 1004470897 /nfs/dbraw/zinc/47/08/97/1004470897.db2.gz MMXMTQDTWSAZBU-YDLRUIKNSA-N 2 0 411.634 3.842 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)(N2CCCCC2)CC1 ZINC000512662576 1004472987 /nfs/dbraw/zinc/47/29/87/1004472987.db2.gz YPOKUVOUKHJUAF-KKUQBAQOSA-N 3 0 424.677 3.827 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510324706 1004482129 /nfs/dbraw/zinc/48/21/29/1004482129.db2.gz RMHNGVPETMNCSV-NFBKMPQASA-N 2 0 400.611 3.708 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1Cl ZINC000510350718 1004500912 /nfs/dbraw/zinc/50/09/12/1004500912.db2.gz KOUJQGSXVRYZIN-HXUWFJFHSA-N 2 0 407.002 3.993 20 0 HHADRP C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512708693 1004508606 /nfs/dbraw/zinc/50/86/06/1004508606.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710945 1004509624 /nfs/dbraw/zinc/50/96/24/1004509624.db2.gz CLEZMDAWXODRKZ-UNMCSNQZSA-N 2 0 412.622 3.945 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000512718254 1004515606 /nfs/dbraw/zinc/51/56/06/1004515606.db2.gz KUXJSTHMNSWKGZ-UHFFFAOYSA-N 2 0 405.995 3.958 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000512718119 1004515927 /nfs/dbraw/zinc/51/59/27/1004515927.db2.gz JBHUUUUTSIZWLY-UHFFFAOYSA-N 2 0 417.500 3.647 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000501602511 1004545093 /nfs/dbraw/zinc/54/50/93/1004545093.db2.gz NDXJPYNVTFZELL-QHCPKHFHSA-N 2 0 416.610 3.786 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512825818 1004584432 /nfs/dbraw/zinc/58/44/32/1004584432.db2.gz GYOJNRKVAPDNPR-UXHICEINSA-N 2 0 424.511 3.550 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)[NH+](C)C)cc1 ZINC000512830677 1004588893 /nfs/dbraw/zinc/58/88/93/1004588893.db2.gz BLVICZUUOOOQPQ-FUPPJEDESA-N 2 0 416.610 3.733 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[NH+]1CCCCCC1 ZINC000510491498 1004610195 /nfs/dbraw/zinc/61/01/95/1004610195.db2.gz ONJWHXQSWBTGLD-NRFANRHFSA-N 2 0 421.589 3.607 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000512919524 1004693308 /nfs/dbraw/zinc/69/33/08/1004693308.db2.gz ZXISDTNPKOICBA-RBBKRZOGSA-N 2 0 404.599 3.592 20 0 HHADRP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501777346 1004716976 /nfs/dbraw/zinc/71/69/76/1004716976.db2.gz SUPXKKQECYNFNX-UHFFFAOYSA-N 2 0 416.429 3.523 20 0 HHADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000501781905 1004722279 /nfs/dbraw/zinc/72/22/79/1004722279.db2.gz VNNYCLJFBRRQNR-UHFFFAOYSA-N 2 0 421.585 3.615 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501799998 1004742448 /nfs/dbraw/zinc/74/24/48/1004742448.db2.gz HVDSYAQLBDYZJF-DEOSSOPVSA-N 2 0 406.574 3.919 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000501849255 1004774591 /nfs/dbraw/zinc/77/45/91/1004774591.db2.gz IDQIODJUPVIJMY-XMMPIXPASA-N 2 0 406.574 3.787 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000501894574 1004798878 /nfs/dbraw/zinc/79/88/78/1004798878.db2.gz VPUJBBHGGZCOAR-UHFFFAOYSA-N 2 0 422.617 3.989 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000513095561 1004803332 /nfs/dbraw/zinc/80/33/32/1004803332.db2.gz PEICMJOEKZDABF-UHFFFAOYSA-N 2 0 424.564 3.818 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000513213904 1004864380 /nfs/dbraw/zinc/86/43/80/1004864380.db2.gz WMQUIZJOSFHXQS-MRXNPFEDSA-N 2 0 416.507 3.645 20 0 HHADRP CC(C)COc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000510887823 1004912307 /nfs/dbraw/zinc/91/23/07/1004912307.db2.gz MXZZWPBNJDYZTD-QHCPKHFHSA-N 2 0 409.574 3.709 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502167104 1004934733 /nfs/dbraw/zinc/93/47/33/1004934733.db2.gz ATDLKDDUFNDGHU-ATZDWAIDSA-N 2 0 412.500 3.576 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510937656 1004943529 /nfs/dbraw/zinc/94/35/29/1004943529.db2.gz PFBBKXYFSGJOKD-PXNSSMCTSA-N 2 0 422.976 3.742 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510937647 1004944019 /nfs/dbraw/zinc/94/40/19/1004944019.db2.gz PFBBKXYFSGJOKD-FXAWDEMLSA-N 2 0 422.976 3.742 20 0 HHADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957565 1004953813 /nfs/dbraw/zinc/95/38/13/1004953813.db2.gz HKLZOFAVBKPPIU-OYRHEFFESA-N 2 0 409.574 3.548 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510976723 1004962780 /nfs/dbraw/zinc/96/27/80/1004962780.db2.gz VIQOIXFWFZKLRE-PZJWPPBQSA-N 2 0 401.595 3.790 20 0 HHADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513516712 1005000902 /nfs/dbraw/zinc/00/09/02/1005000902.db2.gz AGEWPCBZCIPOAR-SANMLTNESA-N 2 0 415.585 3.558 20 0 HHADRP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513559746 1005022870 /nfs/dbraw/zinc/02/28/70/1005022870.db2.gz IMNHAVPSTIKJAJ-LADGPHEKSA-N 2 0 409.549 3.819 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511144312 1005043307 /nfs/dbraw/zinc/04/33/07/1005043307.db2.gz RPMQTHKQGPWDMS-TYBLODHISA-N 2 0 421.585 3.577 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)c(C)c2)CC1 ZINC000511178455 1005060737 /nfs/dbraw/zinc/06/07/37/1005060737.db2.gz VBSSHNANIPQPLE-UHFFFAOYSA-N 2 0 401.599 3.521 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000502419834 1005067871 /nfs/dbraw/zinc/06/78/71/1005067871.db2.gz SRHWOUIFIGIPHF-AREMUKBSSA-N 2 0 420.601 3.598 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511249121 1005090879 /nfs/dbraw/zinc/09/08/79/1005090879.db2.gz KNRZMXPECHRKLU-XUVXKRRUSA-N 2 0 418.651 3.912 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264133 1005096798 /nfs/dbraw/zinc/09/67/98/1005096798.db2.gz DGWQXVXYWZYJJI-FDFHNCONSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268191 1005099543 /nfs/dbraw/zinc/09/95/43/1005099543.db2.gz VOWKIQITSHKIMH-FPOVZHCZSA-N 2 0 413.610 3.592 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000513816877 1005141808 /nfs/dbraw/zinc/14/18/08/1005141808.db2.gz WCFQGIPFHXBXMG-UHFFFAOYSA-N 2 0 409.574 3.627 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410255 1005164357 /nfs/dbraw/zinc/16/43/57/1005164357.db2.gz NTDRUGZQURRYRR-ACIOBRDBSA-N 2 0 412.622 3.503 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410258 1005164388 /nfs/dbraw/zinc/16/43/88/1005164388.db2.gz NTDRUGZQURRYRR-MDNUFGMLSA-N 2 0 412.622 3.503 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000513988245 1005215747 /nfs/dbraw/zinc/21/57/47/1005215747.db2.gz WFYPCBIUHYJMKG-UHFFFAOYSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502788680 1005217853 /nfs/dbraw/zinc/21/78/53/1005217853.db2.gz IIHCOWNWKYXQBU-RDABAPPSSA-N 2 0 400.611 3.849 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000502813015 1005227819 /nfs/dbraw/zinc/22/78/19/1005227819.db2.gz VHBABACXPPWAIE-HSZRJFAPSA-N 2 0 416.610 3.643 20 0 HHADRP CCC1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021426 1005231362 /nfs/dbraw/zinc/23/13/62/1005231362.db2.gz ZLJZSBYAVCKNAP-QHCPKHFHSA-N 2 0 414.638 3.956 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[NH+](C)C)c1 ZINC000502823922 1005233497 /nfs/dbraw/zinc/23/34/97/1005233497.db2.gz NSFAYZOCBDEAJN-YDPRHXJPSA-N 2 0 416.610 3.640 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000502828334 1005235059 /nfs/dbraw/zinc/23/50/59/1005235059.db2.gz QDLZTAGTJJXJGC-QFIPXVFZSA-N 2 0 412.578 3.969 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846388 1005242269 /nfs/dbraw/zinc/24/22/69/1005242269.db2.gz DLLVJGFCBLTAFY-APWZRJJASA-N 2 0 414.516 3.824 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000502847630 1005242763 /nfs/dbraw/zinc/24/27/63/1005242763.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 2 0 400.611 3.777 20 0 HHADRP COc1ccc([C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)cc1 ZINC000502901423 1005266639 /nfs/dbraw/zinc/26/66/39/1005266639.db2.gz GYYUVEMZOXGXLV-QFIPXVFZSA-N 2 0 404.599 3.592 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000511664433 1005267650 /nfs/dbraw/zinc/26/76/50/1005267650.db2.gz GGNCIMXGGVYEKS-UHFFFAOYSA-N 2 0 414.619 3.726 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000511671479 1005270379 /nfs/dbraw/zinc/27/03/79/1005270379.db2.gz NYBCGJYLQROFCM-UHFFFAOYSA-N 2 0 415.500 3.501 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716133 1005289777 /nfs/dbraw/zinc/28/97/77/1005289777.db2.gz OSOHPZREVPZDDS-XQBPLPMBSA-N 2 0 401.620 3.713 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502952451 1005290295 /nfs/dbraw/zinc/29/02/95/1005290295.db2.gz SRQPBJIXPCCVHF-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171454 1005297956 /nfs/dbraw/zinc/29/79/56/1005297956.db2.gz BQHKLKAFMBIXBR-ZEQRLZLVSA-N 2 0 406.574 3.706 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccco1 ZINC000514173308 1005298230 /nfs/dbraw/zinc/29/82/30/1005298230.db2.gz VPPSZKGRMJPLLD-ZWKOTPCHSA-N 2 0 404.580 3.860 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1)C1CC1 ZINC000511766426 1005314889 /nfs/dbraw/zinc/31/48/89/1005314889.db2.gz FRVSUBARORAVIJ-UHFFFAOYSA-N 2 0 408.546 3.813 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514211258 1005315480 /nfs/dbraw/zinc/31/54/80/1005315480.db2.gz PTBSMQJSCMRACN-NHCUHLMSSA-N 2 0 400.592 3.796 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312050 1005335566 /nfs/dbraw/zinc/33/55/66/1005335566.db2.gz VWPQYBZKVQSXOM-JWQCQUIFSA-N 2 0 420.601 3.807 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000503191395 1005365548 /nfs/dbraw/zinc/36/55/48/1005365548.db2.gz PXCYDPKNMZKXAC-UHFFFAOYSA-N 2 0 418.626 3.667 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000503337289 1005393121 /nfs/dbraw/zinc/39/31/21/1005393121.db2.gz CYJMYJCXJCEDNJ-RTWAWAEBSA-N 2 0 404.599 3.960 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000503398122 1005407945 /nfs/dbraw/zinc/40/79/45/1005407945.db2.gz ZTGAAVJUDHRIIA-JOCHJYFZSA-N 2 0 412.622 3.588 20 0 HHADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503400028 1005408432 /nfs/dbraw/zinc/40/84/32/1005408432.db2.gz MZJGTCSBUOMMJU-ZEQRLZLVSA-N 2 0 412.622 3.949 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462721 1005427684 /nfs/dbraw/zinc/42/76/84/1005427684.db2.gz BHZLPXYWFXNTPC-DNQXCXABSA-N 2 0 414.638 3.751 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)C2)CC1 ZINC000503476023 1005431965 /nfs/dbraw/zinc/43/19/65/1005431965.db2.gz VMVOSQOGPOADFT-ISKFKSNPSA-N 2 0 412.622 3.977 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496491 1005437242 /nfs/dbraw/zinc/43/72/42/1005437242.db2.gz AELGUIYGNZLOBB-NOZRDPDXSA-N 2 0 422.617 3.716 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)C2)CC1 ZINC000503498475 1005437806 /nfs/dbraw/zinc/43/78/06/1005437806.db2.gz LYZZQMKPNIOQAB-KNQAVFIVSA-N 2 0 404.574 3.582 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)c1 ZINC000503498213 1005437853 /nfs/dbraw/zinc/43/78/53/1005437853.db2.gz JMPHCAPVILOLFO-NZQKXSOJSA-N 2 0 416.610 3.596 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000503957841 1005519253 /nfs/dbraw/zinc/51/92/53/1005519253.db2.gz AUJTVWAIAQSXAT-NHCUHLMSSA-N 2 0 418.626 3.556 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000503986786 1005526492 /nfs/dbraw/zinc/52/64/92/1005526492.db2.gz NRYZOXWNKWVMGP-OAQYLSRUSA-N 2 0 404.986 3.574 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000504245011 1005581269 /nfs/dbraw/zinc/58/12/69/1005581269.db2.gz CGNYYQDJOQTQLZ-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)c2ccccc2)CC1 ZINC000504414411 1005622553 /nfs/dbraw/zinc/62/25/53/1005622553.db2.gz QUBZXTUTABATDE-DEOSSOPVSA-N 2 0 423.605 3.628 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)c2)CC1 ZINC000514510874 1006013405 /nfs/dbraw/zinc/01/34/05/1006013405.db2.gz ZTQJBVYBRQUNJA-QHCPKHFHSA-N 2 0 409.578 3.561 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000534058117 1006030066 /nfs/dbraw/zinc/03/00/66/1006030066.db2.gz PWJJPQHDFPLCCK-RDTXWAMCSA-N 2 0 401.776 3.916 20 0 HHADRP Cc1cc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000531189074 1006035614 /nfs/dbraw/zinc/03/56/14/1006035614.db2.gz QOCVQGWMDIJTGN-IBGZPJMESA-N 2 0 418.973 3.536 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c1)C1CCOCC1 ZINC000531251082 1006070828 /nfs/dbraw/zinc/07/08/28/1006070828.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 2 0 420.557 3.856 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000514665269 1006074438 /nfs/dbraw/zinc/07/44/38/1006074438.db2.gz AZVGJLDVVMQVFL-FOIQADDNSA-N 2 0 419.411 3.923 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206987 1006200173 /nfs/dbraw/zinc/20/01/73/1006200173.db2.gz KIBOQRAZRJUXDD-WVWVSWFPSA-N 2 0 424.992 3.892 20 0 HHADRP COc1cccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)c1 ZINC000531446349 1006201681 /nfs/dbraw/zinc/20/16/81/1006201681.db2.gz XKBMVZVRELUYJA-DEOSSOPVSA-N 2 0 422.573 3.568 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534231381 1006231727 /nfs/dbraw/zinc/23/17/27/1006231727.db2.gz LIZFYHSHNZBWBK-UHFFFAOYSA-N 2 0 410.537 3.725 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000534232133 1006232717 /nfs/dbraw/zinc/23/27/17/1006232717.db2.gz FZZQTIKSEXZOBJ-FQEVSTJZSA-N 2 0 423.523 3.775 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249342 1006257185 /nfs/dbraw/zinc/25/71/85/1006257185.db2.gz CYKDAIBWZORHQB-NQIIRXRSSA-N 2 0 424.992 3.893 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251446 1006259573 /nfs/dbraw/zinc/25/95/73/1006259573.db2.gz OXDIIVIGFVYYBF-JWWGGVBKSA-N 2 0 422.976 3.598 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534254290 1006262645 /nfs/dbraw/zinc/26/26/45/1006262645.db2.gz QMXFPRJKGKRLOO-UHFFFAOYSA-N 2 0 420.601 3.946 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000531677281 1006348796 /nfs/dbraw/zinc/34/87/96/1006348796.db2.gz FJSJWWNYBOPTEK-XMSQKQJNSA-N 3 0 409.603 3.882 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000531687522 1006354023 /nfs/dbraw/zinc/35/40/23/1006354023.db2.gz FKKQPFCUERAKHJ-LJQANCHMSA-N 2 0 403.368 3.837 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000531704351 1006366471 /nfs/dbraw/zinc/36/64/71/1006366471.db2.gz DRGDOSWUTNWWJM-WOJBJXKFSA-N 2 0 418.601 3.799 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531704521 1006367144 /nfs/dbraw/zinc/36/71/44/1006367144.db2.gz DWGKRZVNHLOCSP-XRTORIHISA-N 2 0 417.491 3.854 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000534452685 1006434743 /nfs/dbraw/zinc/43/47/43/1006434743.db2.gz NNONVUXJDLMIGN-QFIPXVFZSA-N 2 0 414.619 3.995 20 0 HHADRP CN(c1ccccc1CNc1ccc(CC[NH+]2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000531850688 1006470875 /nfs/dbraw/zinc/47/08/75/1006470875.db2.gz IDADQMYSQMRRTN-UHFFFAOYSA-N 2 0 422.617 3.704 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518337 1006510321 /nfs/dbraw/zinc/51/03/21/1006510321.db2.gz AKXIUYMTGDIJCY-MSOLQXFVSA-N 2 0 409.530 3.764 20 0 HHADRP COc1cccc(C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)c1 ZINC000531989940 1006565304 /nfs/dbraw/zinc/56/53/04/1006565304.db2.gz YTIDSLJEIRHCHH-VWLOTQADSA-N 2 0 416.569 3.916 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000532015464 1006577342 /nfs/dbraw/zinc/57/73/42/1006577342.db2.gz MQYVEEQCXOEZBM-PKTZIBPZSA-N 2 0 420.557 3.908 20 0 HHADRP CN(C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000532105302 1006638160 /nfs/dbraw/zinc/63/81/60/1006638160.db2.gz CKGAJUNEZJLBOZ-HSZRJFAPSA-N 2 0 416.560 3.888 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1 ZINC000515759663 1006650078 /nfs/dbraw/zinc/65/00/78/1006650078.db2.gz TZPXMRJUHQYYKJ-IBGZPJMESA-N 2 0 410.562 3.972 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000538412804 1006680679 /nfs/dbraw/zinc/68/06/79/1006680679.db2.gz AFQAVZJQLRERLU-UHFFFAOYSA-N 2 0 410.587 3.926 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000515838843 1006711232 /nfs/dbraw/zinc/71/12/32/1006711232.db2.gz UHWWONSQIJDTDC-QFIPXVFZSA-N 2 0 404.574 3.600 20 0 HHADRP CCOc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc(Br)c1OC(F)F ZINC000538445233 1006711687 /nfs/dbraw/zinc/71/16/87/1006711687.db2.gz AOKJWDCKAHKAJQ-UHFFFAOYSA-N 2 0 405.283 3.801 20 0 HHADRP C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532197132 1006713690 /nfs/dbraw/zinc/71/36/90/1006713690.db2.gz GQLQEKWFDLKIOS-WZONZLPQSA-N 2 0 415.603 3.719 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000532201550 1006718136 /nfs/dbraw/zinc/71/81/36/1006718136.db2.gz NTLYNKOOEWRDHL-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000532248925 1006748403 /nfs/dbraw/zinc/74/84/03/1006748403.db2.gz GZWVWCTWOJXEIQ-KRWDZBQOSA-N 2 0 403.567 3.808 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000532296064 1006778989 /nfs/dbraw/zinc/77/89/89/1006778989.db2.gz RUCFDDMAXGNGJE-QFIPXVFZSA-N 2 0 422.617 3.843 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1nc2c(cccc2F)n1C)C1CC[NH+](C)CC1 ZINC000532359243 1006817354 /nfs/dbraw/zinc/81/73/54/1006817354.db2.gz IKQSTTSCWIGRDD-UHFFFAOYSA-N 2 0 409.553 3.575 20 0 HHADRP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556708 1006818037 /nfs/dbraw/zinc/81/80/37/1006818037.db2.gz FKKFFWSMZVTNLE-IERDGZPVSA-N 2 0 408.550 3.679 20 0 HHADRP CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000532361179 1006819329 /nfs/dbraw/zinc/81/93/29/1006819329.db2.gz LESBDNQSPFUWDY-UHFFFAOYSA-N 2 0 422.617 3.989 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590681 1006857990 /nfs/dbraw/zinc/85/79/90/1006857990.db2.gz RVYHPXMLOFMHDP-HYBUGGRVSA-N 2 0 407.606 3.935 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000538603494 1006877041 /nfs/dbraw/zinc/87/70/41/1006877041.db2.gz GRBAPIIRRLWBSO-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532455026 1006897346 /nfs/dbraw/zinc/89/73/46/1006897346.db2.gz TYSIKUVLFITWMJ-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000532482617 1006921592 /nfs/dbraw/zinc/92/15/92/1006921592.db2.gz MXNDDAHGKJNGEX-DLBZAZTESA-N 2 0 410.537 3.874 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000538761871 1007045577 /nfs/dbraw/zinc/04/55/77/1007045577.db2.gz IEHPIEHDVDZIQO-PMACEKPBSA-N 2 0 410.562 3.980 20 0 HHADRP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCC(C)C ZINC000538764018 1007048798 /nfs/dbraw/zinc/04/87/98/1007048798.db2.gz IMQRTZWJTWWCSN-JOCHJYFZSA-N 2 0 403.611 3.720 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089634 1007103010 /nfs/dbraw/zinc/10/30/10/1007103010.db2.gz STPMTWGKKNIADQ-CAOCKLPOSA-N 2 0 421.585 3.641 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089652 1007103290 /nfs/dbraw/zinc/10/32/90/1007103290.db2.gz STPMTWGKKNIADQ-QLBJFCOMSA-N 2 0 421.585 3.641 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000538854337 1007129225 /nfs/dbraw/zinc/12/92/25/1007129225.db2.gz BOEWBHGEKCDCGR-UHFFFAOYSA-N 2 0 423.605 3.852 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000516537186 1007142559 /nfs/dbraw/zinc/14/25/59/1007142559.db2.gz YGONYNZJLHSBQX-UHFFFAOYSA-N 2 0 403.636 3.624 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000516601866 1007183959 /nfs/dbraw/zinc/18/39/59/1007183959.db2.gz UDFRJPZPQYLZST-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944952 1007229108 /nfs/dbraw/zinc/22/91/08/1007229108.db2.gz CJDFPJDXDGYVJF-HXUWFJFHSA-N 2 0 406.574 3.988 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000516684498 1007230854 /nfs/dbraw/zinc/23/08/54/1007230854.db2.gz FLMUDSDCCDSELJ-IRFCIJBXSA-N 2 0 400.611 3.625 20 0 HHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000535190784 1007237550 /nfs/dbraw/zinc/23/75/50/1007237550.db2.gz MRELRUGIXSHXEJ-UHFFFAOYSA-N 2 0 411.638 3.943 20 0 HHADRP CN(c1ccccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1)C1CC[NH+](C)CC1 ZINC000532905430 1007281491 /nfs/dbraw/zinc/28/14/91/1007281491.db2.gz SECDZQMSQWNSNN-HXUWFJFHSA-N 2 0 403.636 3.751 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000532926088 1007298328 /nfs/dbraw/zinc/29/83/28/1007298328.db2.gz QTDFQPYZDNPUTI-DEOSSOPVSA-N 2 0 411.615 3.886 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000532970622 1007337367 /nfs/dbraw/zinc/33/73/67/1007337367.db2.gz SCEAYNNJICPQDI-UHFFFAOYSA-N 2 0 412.043 3.848 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061904 1007354448 /nfs/dbraw/zinc/35/44/48/1007354448.db2.gz PNULEWGOENUYLY-GNOCETLISA-N 2 0 417.500 3.528 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072108 1007363176 /nfs/dbraw/zinc/36/31/76/1007363176.db2.gz CSJOSHKLMVLNPK-ZACQAIPSSA-N 2 0 405.974 3.769 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539073759 1007365201 /nfs/dbraw/zinc/36/52/01/1007365201.db2.gz QNEFEICLYWVMCH-OAHLLOKOSA-N 2 0 402.608 3.891 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338819 1007390368 /nfs/dbraw/zinc/39/03/68/1007390368.db2.gz DKRNSFOGQFAEBU-DNQXCXABSA-N 2 0 406.574 3.917 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039288 1007399432 /nfs/dbraw/zinc/39/94/32/1007399432.db2.gz FHWCCVJDJFSWTB-XMMPIXPASA-N 2 0 414.553 3.736 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000535366297 1007424033 /nfs/dbraw/zinc/42/40/33/1007424033.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 2 0 406.574 3.642 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506468 1007562746 /nfs/dbraw/zinc/56/27/46/1007562746.db2.gz DHOANSKTNZOZRU-LIRRHRJNSA-N 2 0 414.819 3.953 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506459 1007562868 /nfs/dbraw/zinc/56/28/68/1007562868.db2.gz DHOANSKTNZOZRU-IFXJQAMLSA-N 2 0 414.819 3.953 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509467 1007565029 /nfs/dbraw/zinc/56/50/29/1007565029.db2.gz VRKSAMRLYRYRFF-ACJLOTCBSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000539307489 1007605629 /nfs/dbraw/zinc/60/56/29/1007605629.db2.gz ZSTYWYAOTBEQFM-IFXJQAMLSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000539310638 1007609275 /nfs/dbraw/zinc/60/92/75/1007609275.db2.gz GPJFESPVPLKYHU-DLBZAZTESA-N 2 0 416.516 3.785 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000539311879 1007610983 /nfs/dbraw/zinc/61/09/83/1007610983.db2.gz NHYCHROAZIDXKM-IBGZPJMESA-N 2 0 412.553 3.874 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655642 1007668599 /nfs/dbraw/zinc/66/85/99/1007668599.db2.gz OWAQFUHQZFXUHM-NQIIRXRSSA-N 2 0 424.992 3.893 20 0 HHADRP Cc1ccc(CNC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1F ZINC000535679363 1007705951 /nfs/dbraw/zinc/70/59/51/1007705951.db2.gz HIKBHWSQXQBPQB-UHFFFAOYSA-N 2 0 409.549 3.738 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000517487071 1007711783 /nfs/dbraw/zinc/71/17/83/1007711783.db2.gz AIZUJNBJGREWEZ-GOSISDBHSA-N 2 0 422.548 3.670 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000517525810 1007745679 /nfs/dbraw/zinc/74/56/79/1007745679.db2.gz OXDSNVVFJSMLAD-OALUTQOASA-N 2 0 404.555 3.626 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)CC1 ZINC000517548886 1007764873 /nfs/dbraw/zinc/76/48/73/1007764873.db2.gz LYQXQTLUOIEQSL-UHFFFAOYSA-N 2 0 417.553 3.907 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000539455507 1007766628 /nfs/dbraw/zinc/76/66/28/1007766628.db2.gz FYZBTEZTAJEHAE-XMMPIXPASA-N 2 0 408.590 3.720 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000517574809 1007779057 /nfs/dbraw/zinc/77/90/57/1007779057.db2.gz WLJHMTVDVDBYAK-OAQYLSRUSA-N 2 0 402.583 3.793 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000535774800 1007785597 /nfs/dbraw/zinc/78/55/97/1007785597.db2.gz DOZNCRRXKYLIRL-UHFFFAOYSA-N 2 0 421.589 3.776 20 0 HHADRP CCOC(=O)C1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000539510862 1007820002 /nfs/dbraw/zinc/82/00/02/1007820002.db2.gz QHSLCCNWEAVEOE-ZJRDLVKKSA-N 2 0 405.558 3.740 20 0 HHADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539511157 1007821505 /nfs/dbraw/zinc/82/15/05/1007821505.db2.gz WYWKJKPZKUOKLY-QGZVFWFLSA-N 2 0 401.574 3.677 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653464 1007866018 /nfs/dbraw/zinc/86/60/18/1007866018.db2.gz UYLAGFOJBAEKGY-UPVQGACJSA-N 2 0 420.601 3.541 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576612 1007892701 /nfs/dbraw/zinc/89/27/01/1007892701.db2.gz PLFDCUCPLRVQCQ-UXHICEINSA-N 2 0 411.512 3.874 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000539627182 1007945026 /nfs/dbraw/zinc/94/50/26/1007945026.db2.gz MUYGDGFKVOJYTE-SQJMNOBHSA-N 2 0 414.638 3.768 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000539646110 1007963334 /nfs/dbraw/zinc/96/33/34/1007963334.db2.gz XGIXLCAWFGDVKY-ZJSXRUAMSA-N 2 0 402.627 3.766 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942448 1007975152 /nfs/dbraw/zinc/97/51/52/1007975152.db2.gz HYNGBNBQUMHIRC-YKSBVNFPSA-N 2 0 412.622 3.792 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945944 1007978714 /nfs/dbraw/zinc/97/87/14/1007978714.db2.gz YRDIOCBJSANDHT-SFTDATJTSA-N 2 0 418.651 3.894 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690435 1008009600 /nfs/dbraw/zinc/00/96/00/1008009600.db2.gz QEQDGUGQCYXXQU-JCUDRXCFSA-N 2 0 403.611 3.845 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518012234 1008102346 /nfs/dbraw/zinc/10/23/46/1008102346.db2.gz RUUWLWATQVEHDW-HXUWFJFHSA-N 2 0 404.986 3.621 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536095644 1008118112 /nfs/dbraw/zinc/11/81/12/1008118112.db2.gz MWWPXYXJIVUHCX-BJKOFHAPSA-N 2 0 406.574 3.704 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000539949746 1008201543 /nfs/dbraw/zinc/20/15/43/1008201543.db2.gz BFUHWOBQNHZZKE-NRFANRHFSA-N 2 0 402.970 3.612 20 0 HHADRP CCN1CC[C@@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518222431 1008211300 /nfs/dbraw/zinc/21/13/00/1008211300.db2.gz RKKYNRSBWIBDPW-FGZHOGPDSA-N 2 0 411.009 3.620 20 0 HHADRP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000540017378 1008239804 /nfs/dbraw/zinc/23/98/04/1008239804.db2.gz YSLJYQXBZBQXSK-UXHICEINSA-N 2 0 401.599 3.592 20 0 HHADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044429 1008254096 /nfs/dbraw/zinc/25/40/96/1008254096.db2.gz CNTCSWOUMRUNHB-UHFFFAOYSA-N 2 0 421.010 3.993 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402889 1008289905 /nfs/dbraw/zinc/28/99/05/1008289905.db2.gz SDCMFQUBXJBBGR-CEMLEFRQSA-N 2 0 410.562 3.941 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459897 1008316784 /nfs/dbraw/zinc/31/67/84/1008316784.db2.gz JRHLZDNAEMGEPQ-UGKGYDQZSA-N 2 0 416.610 3.642 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)ccn1 ZINC000540162359 1008317436 /nfs/dbraw/zinc/31/74/36/1008317436.db2.gz CQAQEFUJHGLYQF-SFHVURJKSA-N 2 0 420.351 3.788 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(I)cc1 ZINC000540170653 1008320819 /nfs/dbraw/zinc/32/08/19/1008320819.db2.gz ITAXYVCEYPTCBY-BZUAXINKSA-N 2 0 416.347 3.831 20 0 HHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000540172399 1008321695 /nfs/dbraw/zinc/32/16/95/1008321695.db2.gz CFLGLKITISUUDM-QHCPKHFHSA-N 2 0 407.558 3.824 20 0 HHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000540180218 1008325487 /nfs/dbraw/zinc/32/54/87/1008325487.db2.gz BXQNMQNIGPBPID-UZLBHIALSA-N 2 0 422.411 3.812 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540182325 1008326221 /nfs/dbraw/zinc/32/62/21/1008326221.db2.gz AGWMGOHEGJOONL-IIBYNOLFSA-N 2 0 401.938 3.737 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000518623356 1008369115 /nfs/dbraw/zinc/36/91/15/1008369115.db2.gz FPFQQNJDEXNDIA-TZIWHRDSSA-N 2 0 415.603 3.548 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000518626050 1008370311 /nfs/dbraw/zinc/37/03/11/1008370311.db2.gz CNDUXVYXYYVLLC-RXVVDRJESA-N 2 0 407.002 3.993 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000518862945 1008451176 /nfs/dbraw/zinc/45/11/76/1008451176.db2.gz DKSWRFPJBJVCEJ-QGZVFWFLSA-N 2 0 414.516 3.511 20 0 HHADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519077390 1008521306 /nfs/dbraw/zinc/52/13/06/1008521306.db2.gz BXYGQHNDHNJHOH-QGZVFWFLSA-N 2 0 414.516 3.653 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000545457923 1008569457 /nfs/dbraw/zinc/56/94/57/1008569457.db2.gz KLKYLCWZHJGTTM-INIZCTEOSA-N 2 0 422.411 3.684 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000543067483 1008645211 /nfs/dbraw/zinc/64/52/11/1008645211.db2.gz SPPZMACPIHCUQF-QGZVFWFLSA-N 2 0 408.546 3.604 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000549138008 1008707931 /nfs/dbraw/zinc/70/79/31/1008707931.db2.gz YUIVFJKMZJNYHW-FTJBHMTQSA-N 2 0 417.597 3.954 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000519498996 1008870197 /nfs/dbraw/zinc/87/01/97/1008870197.db2.gz LWPUPVFCRWZDGD-UHFFFAOYSA-N 2 0 414.516 3.653 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543325583 1008908520 /nfs/dbraw/zinc/90/85/20/1008908520.db2.gz YPDSNIKZBLMTGL-HNNXBMFYSA-N 2 0 400.539 3.567 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519668024 1008951582 /nfs/dbraw/zinc/95/15/82/1008951582.db2.gz RAVPOEMYIUETAI-MRXNPFEDSA-N 2 0 400.380 3.527 20 0 HHADRP COc1cccc(OC)c1OC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000543393218 1008983415 /nfs/dbraw/zinc/98/34/15/1008983415.db2.gz BMHDECJIBBYBAG-UHFFFAOYSA-N 2 0 408.502 3.636 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543402166 1008994562 /nfs/dbraw/zinc/99/45/62/1008994562.db2.gz FCQTXJUPYBPCLE-QHCPKHFHSA-N 2 0 412.553 3.526 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453470 1009043797 /nfs/dbraw/zinc/04/37/97/1009043797.db2.gz CKSUFZBWSHCMFO-RTWAWAEBSA-N 2 0 400.954 3.516 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000543639402 1009242681 /nfs/dbraw/zinc/24/26/81/1009242681.db2.gz ITULZIVSARFXLX-UXHICEINSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130476 1009283617 /nfs/dbraw/zinc/28/36/17/1009283617.db2.gz HBYNKFXKCIUKKT-VGOFRKELSA-N 2 0 410.553 3.549 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000520198276 1009336513 /nfs/dbraw/zinc/33/65/13/1009336513.db2.gz QVNDXXVEPFFTQX-NRFANRHFSA-N 2 0 404.599 3.594 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000543774772 1009342268 /nfs/dbraw/zinc/34/22/68/1009342268.db2.gz USKLMNQPEVKCKD-QFIPXVFZSA-N 2 0 411.521 3.655 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520270399 1009387177 /nfs/dbraw/zinc/38/71/77/1009387177.db2.gz MAHKZHGNKYISNS-RUZDIDTESA-N 2 0 420.601 3.807 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@@H]1C ZINC000544004509 1009605436 /nfs/dbraw/zinc/60/54/36/1009605436.db2.gz SYKRHQVFSFBITM-OALUTQOASA-N 2 0 409.565 3.515 20 0 HHADRP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544072042 1009675893 /nfs/dbraw/zinc/67/58/93/1009675893.db2.gz PSBDUGNPZZDJKW-QWFCFKBJSA-N 2 0 411.384 3.574 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000544093683 1009702731 /nfs/dbraw/zinc/70/27/31/1009702731.db2.gz NWUDLYSCPHGHIC-FQEVSTJZSA-N 2 0 407.480 3.732 20 0 HHADRP CC1CC[NH+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000520702624 1009770251 /nfs/dbraw/zinc/77/02/51/1009770251.db2.gz BWAWFDZMJCAXCE-UHFFFAOYSA-N 2 0 407.002 3.583 20 0 HHADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000550354033 1009881692 /nfs/dbraw/zinc/88/16/92/1009881692.db2.gz UNPQTDLFMDRRDG-VSKRKVRLSA-N 2 0 423.601 3.811 20 0 HHADRP COc1cc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)ccc1OCC[NH+](C)C ZINC000546989294 1009946677 /nfs/dbraw/zinc/94/66/77/1009946677.db2.gz PKCNIQVQRMULBH-UHFFFAOYSA-N 2 0 422.529 3.948 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000520897338 1009951584 /nfs/dbraw/zinc/95/15/84/1009951584.db2.gz ZJXNILVVPSCUCU-FQEVSTJZSA-N 2 0 422.564 3.883 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000520910154 1009964648 /nfs/dbraw/zinc/96/46/48/1009964648.db2.gz ZRFSMBHIWYKOEV-QHCPKHFHSA-N 2 0 400.611 3.710 20 0 HHADRP COc1ccc(C2CCC([NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2)cc1 ZINC000544371319 1009999785 /nfs/dbraw/zinc/99/97/85/1009999785.db2.gz OYPICBXWWKXUKM-UHFFFAOYSA-N 2 0 409.574 3.803 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000520951083 1010001428 /nfs/dbraw/zinc/00/14/28/1010001428.db2.gz ONVYDJDRMVMEKV-GOSISDBHSA-N 2 0 408.409 3.979 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC000544486299 1010110349 /nfs/dbraw/zinc/11/03/49/1010110349.db2.gz FFKYBNSSVSTMPR-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785192 1010173983 /nfs/dbraw/zinc/17/39/83/1010173983.db2.gz PPLSFDUXZZWWMU-DOTOQJQBSA-N 2 0 407.377 3.854 20 0 HHADRP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000551130102 1010390709 /nfs/dbraw/zinc/39/07/09/1010390709.db2.gz RZLGOGZSZDXCSZ-RPWUZVMVSA-N 2 0 406.574 3.631 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826503 1010440390 /nfs/dbraw/zinc/44/03/90/1010440390.db2.gz PFDDECHHUFKVDB-TUSQITKMSA-N 2 0 405.586 3.720 20 0 HHADRP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827430 1010441115 /nfs/dbraw/zinc/44/11/15/1010441115.db2.gz PNYDWLULYYUMEQ-JYUKWDKTSA-N 2 0 415.647 3.621 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466144 /nfs/dbraw/zinc/46/61/44/1010466144.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 2 0 411.512 3.676 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466427 /nfs/dbraw/zinc/46/64/27/1010466427.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 2 0 411.512 3.676 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687078 1010550958 /nfs/dbraw/zinc/55/09/58/1010550958.db2.gz IOTGQUPQGKBPSA-SFHVURJKSA-N 2 0 410.553 3.550 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000521797478 1010625906 /nfs/dbraw/zinc/62/59/06/1010625906.db2.gz UUTYCWNQDCIETQ-QRVBRYPASA-N 2 0 400.567 3.701 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)CC3 ZINC000545189511 1010678203 /nfs/dbraw/zinc/67/82/03/1010678203.db2.gz WHPPTMFOIDDXLT-FQEVSTJZSA-N 2 0 419.569 3.780 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000522029217 1010764286 /nfs/dbraw/zinc/76/42/86/1010764286.db2.gz OKIFZOMFCHWBHY-TZIWHRDSSA-N 2 0 414.619 3.780 20 0 HHADRP CC[C@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000545402459 1010775008 /nfs/dbraw/zinc/77/50/08/1010775008.db2.gz FHUYOVWYPKUGBG-QHCPKHFHSA-N 2 0 406.574 3.729 20 0 HHADRP CCN(Cc1ccc(Cl)s1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522125721 1010824411 /nfs/dbraw/zinc/82/44/11/1010824411.db2.gz CDZYDMRJCQQDGB-UHFFFAOYSA-N 2 0 421.998 3.540 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522162359 1010841471 /nfs/dbraw/zinc/84/14/71/1010841471.db2.gz ZJOQVAJWBPCWFT-VWLOTQADSA-N 2 0 420.601 3.986 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277648 1010900740 /nfs/dbraw/zinc/90/07/40/1010900740.db2.gz SHUHSXYKKXLZPX-FCHUYYIVSA-N 2 0 410.562 3.689 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000522308449 1010921218 /nfs/dbraw/zinc/92/12/18/1010921218.db2.gz ODQFWQQJLSKKSE-XMMPIXPASA-N 2 0 408.590 3.905 20 0 HHADRP C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522404959 1010986380 /nfs/dbraw/zinc/98/63/80/1010986380.db2.gz DHGFHXVZGWDYOY-OAQYLSRUSA-N 2 0 423.605 3.649 20 0 HHADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522444283 1011015984 /nfs/dbraw/zinc/01/59/84/1011015984.db2.gz MGHMHHQRYCLEBV-IBGZPJMESA-N 2 0 407.002 3.535 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155721 1011280286 /nfs/dbraw/zinc/28/02/86/1011280286.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 2 0 406.574 3.784 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522868459 1011310073 /nfs/dbraw/zinc/31/00/73/1011310073.db2.gz SXJWPFAAXUVVPF-RUZDIDTESA-N 2 0 420.601 3.986 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536192734 1011333556 /nfs/dbraw/zinc/33/35/56/1011333556.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 2 0 406.574 3.595 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536230679 1011379476 /nfs/dbraw/zinc/37/94/76/1011379476.db2.gz CUWURGLMIKVDJW-MOPGFXCFSA-N 2 0 414.516 3.738 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536231439 1011381078 /nfs/dbraw/zinc/38/10/78/1011381078.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 2 0 421.589 3.523 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000540744355 1011396389 /nfs/dbraw/zinc/39/63/89/1011396389.db2.gz FKZCALTWCBWYHS-KRWDZBQOSA-N 2 0 402.558 3.925 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000536302932 1011492255 /nfs/dbraw/zinc/49/22/55/1011492255.db2.gz UXRIHINUHGZGLK-RTBURBONSA-N 2 0 414.819 3.951 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188841 1011673393 /nfs/dbraw/zinc/67/33/93/1011673393.db2.gz GPWXKISPHUVADR-OTWHNJEPSA-N 2 0 406.640 3.626 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219411 1011707413 /nfs/dbraw/zinc/70/74/13/1011707413.db2.gz XIWXWZZKPFIHLN-ZEQRLZLVSA-N 2 0 423.605 3.689 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000541090071 1011734474 /nfs/dbraw/zinc/73/44/74/1011734474.db2.gz RKBSOGMAWLSIGZ-UHFFFAOYSA-N 2 0 410.606 3.887 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584314 1011746473 /nfs/dbraw/zinc/74/64/73/1011746473.db2.gz NYKFVXXHFWTZQL-HSZRJFAPSA-N 2 0 406.659 3.898 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536584315 1011747034 /nfs/dbraw/zinc/74/70/34/1011747034.db2.gz NYKFVXXHFWTZQL-QHCPKHFHSA-N 2 0 406.659 3.898 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301041 1011779996 /nfs/dbraw/zinc/77/99/96/1011779996.db2.gz KNAPGNCUITTWKZ-XQBPLPMBSA-N 2 0 406.640 3.770 20 0 HHADRP Cc1cc(OC(C)C)ccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523314724 1011791511 /nfs/dbraw/zinc/79/15/11/1011791511.db2.gz XNJHUNAXBKZEGP-UHFFFAOYSA-N 2 0 411.550 3.511 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523338721 1011816563 /nfs/dbraw/zinc/81/65/63/1011816563.db2.gz SCCXIEVVZHXLIR-XMMPIXPASA-N 2 0 406.574 3.596 20 0 HHADRP COc1cc2c(cc1C[N@H+](C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@H](C)C2 ZINC000536667085 1011820317 /nfs/dbraw/zinc/82/03/17/1011820317.db2.gz YSOJKLBPXFIOSC-LJQANCHMSA-N 2 0 415.622 3.647 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000541163690 1011829309 /nfs/dbraw/zinc/82/93/09/1011829309.db2.gz CVUBSYIPQOIBRM-UHFFFAOYSA-N 2 0 414.638 3.803 20 0 HHADRP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000541194131 1011865954 /nfs/dbraw/zinc/86/59/54/1011865954.db2.gz NVXXEGMQXDOMKL-NTKDMRAZSA-N 2 0 424.589 3.647 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704105 1011875252 /nfs/dbraw/zinc/87/52/52/1011875252.db2.gz QGSZJJACWYIQOH-NRFANRHFSA-N 2 0 409.578 3.859 20 0 HHADRP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc2c1OCCO2 ZINC000536710157 1011881816 /nfs/dbraw/zinc/88/18/16/1011881816.db2.gz LRXDYRGSRUYXSU-UHFFFAOYSA-N 2 0 408.542 3.955 20 0 HHADRP CCc1nc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000536713273 1011885681 /nfs/dbraw/zinc/88/56/81/1011885681.db2.gz MRTDGCRXEKADNP-UHFFFAOYSA-N 2 0 401.580 3.586 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551770819 1011930243 /nfs/dbraw/zinc/93/02/43/1011930243.db2.gz WQQXFPFYONJABS-HZPDHXFCSA-N 2 0 405.530 3.547 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000523483297 1011996958 /nfs/dbraw/zinc/99/69/58/1011996958.db2.gz DCRVGLUFGUESFY-QFIPXVFZSA-N 2 0 416.610 3.567 20 0 HHADRP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000541316461 1012025544 /nfs/dbraw/zinc/02/55/44/1012025544.db2.gz OAKOFBHWKDUAKT-UHFFFAOYSA-N 2 0 413.909 3.665 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552045263 1012064569 /nfs/dbraw/zinc/06/45/69/1012064569.db2.gz AZLQRFZRKLLQEB-BIGMCNFVSA-N 3 0 412.666 3.540 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057906 1012075520 /nfs/dbraw/zinc/07/55/20/1012075520.db2.gz MJTPEAVEYGAADN-DHIUTWEWSA-N 2 0 408.030 3.736 20 0 HHADRP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000536866389 1012102889 /nfs/dbraw/zinc/10/28/89/1012102889.db2.gz ZSRFWWGYJJLWIW-IEGUWTFLSA-N 2 0 415.603 3.501 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)o1 ZINC000523644355 1012237177 /nfs/dbraw/zinc/23/71/77/1012237177.db2.gz CNHUVYOMFXPTDP-JOCHJYFZSA-N 2 0 424.589 3.861 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000541476773 1012246661 /nfs/dbraw/zinc/24/66/61/1012246661.db2.gz JONCVIFEQUYBPJ-YFXJRYMSSA-N 2 0 414.594 3.537 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000541534357 1012318294 /nfs/dbraw/zinc/31/82/94/1012318294.db2.gz NOLRQDSWWUNVRM-FQEVSTJZSA-N 2 0 418.545 3.918 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537018239 1012322159 /nfs/dbraw/zinc/32/21/59/1012322159.db2.gz POIDSTNQEVAPJZ-ABSDTBQOSA-N 2 0 417.500 3.718 20 0 HHADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000541542392 1012327044 /nfs/dbraw/zinc/32/70/44/1012327044.db2.gz UWFCTFMKOHGVBC-XUZZJYLKSA-N 2 0 413.631 3.932 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542321 1012327980 /nfs/dbraw/zinc/32/79/80/1012327980.db2.gz RJOXAOXUCCPUQQ-HSZRJFAPSA-N 2 0 423.557 3.739 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732649 1012350168 /nfs/dbraw/zinc/35/01/68/1012350168.db2.gz PPJVELHZMQLFHY-UZLBHIALSA-N 2 0 423.395 3.952 20 0 HHADRP Cc1c(C)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000552610785 1012612983 /nfs/dbraw/zinc/61/29/83/1012612983.db2.gz YEMBHEVRYDUFNX-XLAORIBOSA-N 2 0 414.594 3.926 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000523907839 1012625517 /nfs/dbraw/zinc/62/55/17/1012625517.db2.gz HPBFFKDPNCRCGR-GBXCKJPGSA-N 2 0 408.590 3.684 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)CC1 ZINC000541763932 1012627946 /nfs/dbraw/zinc/62/79/46/1012627946.db2.gz FFDNYYFXAYXAFD-UHFFFAOYSA-N 2 0 401.986 3.580 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)[NH+]2CCCC2)o1 ZINC000523939389 1012672759 /nfs/dbraw/zinc/67/27/59/1012672759.db2.gz LVKIEVAUZKIJLQ-OAQYLSRUSA-N 2 0 414.550 3.624 20 0 HHADRP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751825 /nfs/dbraw/zinc/75/18/25/1012751825.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 2 0 424.658 3.537 20 0 HHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295630 1012753926 /nfs/dbraw/zinc/75/39/26/1012753926.db2.gz NEYFVWLXEJKDLA-XPWALMASSA-N 2 0 413.606 3.601 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000541889034 1012756335 /nfs/dbraw/zinc/75/63/35/1012756335.db2.gz KTHFGKJKZJJUGZ-MRGHISEYSA-N 2 0 407.602 3.776 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915049 1012773761 /nfs/dbraw/zinc/77/37/61/1012773761.db2.gz WDWZPEPKNKLPSQ-LAUBAEHRSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915050 1012773961 /nfs/dbraw/zinc/77/39/61/1012773961.db2.gz WDWZPEPKNKLPSQ-UTKZUKDTSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000541917954 1012776490 /nfs/dbraw/zinc/77/64/90/1012776490.db2.gz IWYPUPGLARFMNX-NYMACZPPSA-N 3 0 407.602 3.644 20 0 HHADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000541928804 1012789979 /nfs/dbraw/zinc/78/99/79/1012789979.db2.gz DMSOYUNQDVFMFC-UHFFFAOYSA-N 2 0 408.384 3.566 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900005 1012900961 /nfs/dbraw/zinc/90/09/61/1012900961.db2.gz YBKVRDISSNJHFG-AQNXPRMDSA-N 2 0 422.635 3.943 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000524135944 1012921445 /nfs/dbraw/zinc/92/14/45/1012921445.db2.gz XTEZXUQUDJWIPQ-REWPJTCUSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000537444772 1012937499 /nfs/dbraw/zinc/93/74/99/1012937499.db2.gz LJGOPFIVCQYEBW-LPHOPBHVSA-N 2 0 402.608 3.862 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)cc1)C(C)C ZINC000542091678 1013015787 /nfs/dbraw/zinc/01/57/87/1013015787.db2.gz QMYRHKCLAXREIV-VWLOTQADSA-N 2 0 423.601 3.804 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)cc1)C(C)C ZINC000542091677 1013016789 /nfs/dbraw/zinc/01/67/89/1013016789.db2.gz QMYRHKCLAXREIV-RUZDIDTESA-N 2 0 423.601 3.804 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816606 1072063362 /nfs/dbraw/zinc/06/33/62/1072063362.db2.gz DMKXIGPEUFYZCC-NJNPRVFISA-N 2 0 419.013 3.676 20 0 HHADRP COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000570252246 1072211778 /nfs/dbraw/zinc/21/17/78/1072211778.db2.gz YHIXURGALVITLR-KWNHSTDBSA-N 2 0 424.585 3.783 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2(c3cccnc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168305806 1072476489 /nfs/dbraw/zinc/47/64/89/1072476489.db2.gz NNQVIBMXOKZYRI-UHFFFAOYSA-N 2 0 402.583 3.770 20 0 HHADRP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379382 1072664419 /nfs/dbraw/zinc/66/44/19/1072664419.db2.gz JGABNASJYUKYCR-DEOSSOPVSA-N 2 0 424.633 3.919 20 0 HHADRP CC[C@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000571604970 1072678145 /nfs/dbraw/zinc/67/81/45/1072678145.db2.gz RQVFAYUICZUEKD-RUZDIDTESA-N 2 0 405.586 3.946 20 0 HHADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000760670679 1072696821 /nfs/dbraw/zinc/69/68/21/1072696821.db2.gz QVNUDUGVFSMKRI-QFIPXVFZSA-N 2 0 401.595 3.788 20 0 HHADRP Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380469 1072707740 /nfs/dbraw/zinc/70/77/40/1072707740.db2.gz SWBAGZPKPCDILD-RPBOFIJWSA-N 2 0 413.606 3.652 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccsc1 ZINC000479394829 1072807398 /nfs/dbraw/zinc/80/73/98/1072807398.db2.gz UAKDWEZCBJANIA-UXHICEINSA-N 2 0 406.571 3.872 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409598 1072831573 /nfs/dbraw/zinc/83/15/73/1072831573.db2.gz FVSOIMCXUAZCBY-OFNKIYASSA-N 2 0 400.611 3.975 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3cc(Br)ccc32)ccn1 ZINC000479426547 1072840771 /nfs/dbraw/zinc/84/07/71/1072840771.db2.gz XLJMKDDGEILNOA-IBGZPJMESA-N 2 0 404.352 3.952 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)ccn1 ZINC000479426549 1072840858 /nfs/dbraw/zinc/84/08/58/1072840858.db2.gz XLJMKDDGEILNOA-LJQANCHMSA-N 2 0 404.352 3.952 20 0 HHADRP CCCCCOc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1OC ZINC000554882745 1072934144 /nfs/dbraw/zinc/93/41/44/1072934144.db2.gz OHGOTDQFCNBPOY-UHFFFAOYSA-N 2 0 403.611 3.724 20 0 HHADRP C[N@H+](CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554906391 1072942317 /nfs/dbraw/zinc/94/23/17/1072942317.db2.gz MICOSHKKNMBORS-QNKZKCNHSA-N 2 0 404.986 3.647 20 0 HHADRP CC[C@@H](C(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555088872 1073148955 /nfs/dbraw/zinc/14/89/55/1073148955.db2.gz AIEQIVWEQPMUDW-ZEQRLZLVSA-N 2 0 408.590 3.805 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000588708718 1073154992 /nfs/dbraw/zinc/15/49/92/1073154992.db2.gz CZDIXZCFNFMBOA-IRXDYDNUSA-N 2 0 404.580 3.552 20 0 HHADRP CC1(C)CC(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000555158404 1073220362 /nfs/dbraw/zinc/22/03/62/1073220362.db2.gz DTIHRUSFQVVYJU-FQEVSTJZSA-N 2 0 400.611 3.897 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000555209928 1073250248 /nfs/dbraw/zinc/25/02/48/1073250248.db2.gz NZCNTYYYUVQGHC-LEWJYISDSA-N 2 0 423.601 3.840 20 0 HHADRP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000555211704 1073265161 /nfs/dbraw/zinc/26/51/61/1073265161.db2.gz OVOWAIAMNZGBOK-DSNGMDLFSA-N 2 0 418.585 3.534 20 0 HHADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000589078028 1073417655 /nfs/dbraw/zinc/41/76/55/1073417655.db2.gz VOLLKEYZKAAUJR-FQEVSTJZSA-N 2 0 415.419 3.660 20 0 HHADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000555563971 1073632095 /nfs/dbraw/zinc/63/20/95/1073632095.db2.gz UKMMUCRMEUQMRT-SIKLNZKXSA-N 2 0 402.579 3.635 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786181 1074004048 /nfs/dbraw/zinc/00/40/48/1074004048.db2.gz FRJPAMGTSXXEMW-QGZVFWFLSA-N 2 0 424.427 3.848 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929117 1074040061 /nfs/dbraw/zinc/04/00/61/1074040061.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542080 1074377436 /nfs/dbraw/zinc/37/74/36/1074377436.db2.gz VMYIKPOHVYOFSA-VQTJNVASSA-N 2 0 404.624 3.791 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000591554620 1074404067 /nfs/dbraw/zinc/40/40/67/1074404067.db2.gz AYRFBQCSULRWQS-SFTDATJTSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557114 1074404427 /nfs/dbraw/zinc/40/44/27/1074404427.db2.gz BHAOHBGCXHCJLH-NQIIRXRSSA-N 2 0 407.002 3.897 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000591714392 1074479633 /nfs/dbraw/zinc/47/96/33/1074479633.db2.gz BZUISAXBKLJSBN-GOSISDBHSA-N 2 0 424.564 3.711 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000593500472 1075205030 /nfs/dbraw/zinc/20/50/30/1075205030.db2.gz QHEBZBWXPVAJFQ-QHCPKHFHSA-N 2 0 410.562 3.976 20 0 HHADRP CSC1(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC[NH+](C)CC1 ZINC000574330529 1075222197 /nfs/dbraw/zinc/22/21/97/1075222197.db2.gz VPVFYIWZOVRAAH-LJQANCHMSA-N 2 0 418.651 3.545 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594276578 1075276802 /nfs/dbraw/zinc/27/68/02/1075276802.db2.gz VAISHJWHVTTZQL-WIYYLYMNSA-N 2 0 404.986 3.747 20 0 HHADRP CCOc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000602278091 1075725887 /nfs/dbraw/zinc/72/58/87/1075725887.db2.gz RUKLGPHTIBXVNK-HSZRJFAPSA-N 2 0 423.601 3.922 20 0 HHADRP c1csc(C[N@@H+]2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)c1 ZINC001164707701 719907806 /nfs/dbraw/zinc/90/78/06/719907806.db2.gz VKKJAZDZBSMIHL-UHFFFAOYSA-N 2 0 412.603 3.610 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164837086 720654794 /nfs/dbraw/zinc/65/47/94/720654794.db2.gz BOIXXYIYEVYEHP-JOCHJYFZSA-N 2 0 421.589 3.645 20 0 HHADRP Cc1cccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164775863 721329804 /nfs/dbraw/zinc/32/98/04/721329804.db2.gz ALEWILHPAZOPBU-OFVILXPXSA-N 2 0 422.573 3.522 20 0 HHADRP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164795910 721501222 /nfs/dbraw/zinc/50/12/22/721501222.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 2 0 405.590 3.952 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165023263 721821794 /nfs/dbraw/zinc/82/17/94/721821794.db2.gz ILVJZIUBJHOFLR-NBHGPNQESA-N 2 0 411.981 3.513 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000303210696 971563478 /nfs/dbraw/zinc/56/34/78/971563478.db2.gz RDSIXQGUUZMCCC-FQEVSTJZSA-N 2 0 423.605 3.998 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303430815 971713317 /nfs/dbraw/zinc/71/33/17/971713317.db2.gz CBCJVZQLGYLHFU-HCMIIXLQSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@@H](C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303443725 971734829 /nfs/dbraw/zinc/73/48/29/971734829.db2.gz GHPVWIKYKKQYKT-NRFANRHFSA-N 2 0 405.586 3.804 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489755 971788091 /nfs/dbraw/zinc/78/80/91/971788091.db2.gz RXRUYQBJRURVML-NHYNNZIHSA-N 2 0 406.574 3.784 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000303622120 971905529 /nfs/dbraw/zinc/90/55/29/971905529.db2.gz DHPWFDWWVHDELW-HXUWFJFHSA-N 2 0 424.589 3.652 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524302772 1013116072 /nfs/dbraw/zinc/11/60/72/1013116072.db2.gz NNVFGKWEEPOWKD-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524302773 1013116393 /nfs/dbraw/zinc/11/63/93/1013116393.db2.gz NNVFGKWEEPOWKD-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000537613494 1013153002 /nfs/dbraw/zinc/15/30/02/1013153002.db2.gz QIDXVDCKNVARTI-OFNKIYASSA-N 2 0 406.574 3.633 20 0 HHADRP O=C(C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553253589 1013220841 /nfs/dbraw/zinc/22/08/41/1013220841.db2.gz RYNJXUIYAOQASB-QHCPKHFHSA-N 2 0 411.977 3.956 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000553293829 1013251212 /nfs/dbraw/zinc/25/12/12/1013251212.db2.gz LGIKBLRLFWEILO-KXBFYZLASA-N 2 0 412.441 3.849 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000553293826 1013251086 /nfs/dbraw/zinc/25/10/86/1013251086.db2.gz LGIKBLRLFWEILO-BEFAXECRSA-N 2 0 412.441 3.849 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692618 1013256765 /nfs/dbraw/zinc/25/67/65/1013256765.db2.gz KPMQYIYVNXGCDB-QYZOEREBSA-N 2 0 408.468 3.575 20 0 HHADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537714576 1013279147 /nfs/dbraw/zinc/27/91/47/1013279147.db2.gz DPSRZHLGKUXYCU-QHCPKHFHSA-N 2 0 401.595 3.693 20 0 HHADRP CCC(CC)C(=O)N1CCC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000537753465 1013315942 /nfs/dbraw/zinc/31/59/42/1013315942.db2.gz OEKPUPOADWMVPD-UHFFFAOYSA-N 2 0 421.029 3.609 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542391157 1013344620 /nfs/dbraw/zinc/34/46/20/1013344620.db2.gz FJHYSSGHFYOFAF-QGZVFWFLSA-N 2 0 412.525 3.632 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553505447 1013406124 /nfs/dbraw/zinc/40/61/24/1013406124.db2.gz VPSFZSKDEHKWHE-AREMUKBSSA-N 2 0 412.537 3.985 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000542473314 1013420774 /nfs/dbraw/zinc/42/07/74/1013420774.db2.gz HNXVJYDVBKOJIG-CLOONOSVSA-N 2 0 406.549 3.936 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000542483881 1013432160 /nfs/dbraw/zinc/43/21/60/1013432160.db2.gz KEJKTFLGCXIQBT-MRXNPFEDSA-N 2 0 404.436 3.535 20 0 HHADRP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542515147 1013459318 /nfs/dbraw/zinc/45/93/18/1013459318.db2.gz QMXYLHYTGZGVKI-NRFANRHFSA-N 2 0 405.586 3.852 20 0 HHADRP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537962374 1013540669 /nfs/dbraw/zinc/54/06/69/1013540669.db2.gz WUBAZAMYYCYQCQ-MGPUTAFESA-N 2 0 407.352 3.774 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969024 1013545629 /nfs/dbraw/zinc/54/56/29/1013545629.db2.gz IQOAYOLLSNPHOK-IXDOHACOSA-N 2 0 405.974 3.769 20 0 HHADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000057174598 965326696 /nfs/dbraw/zinc/32/66/96/965326696.db2.gz JVCOTRUGAFLOIS-JOCHJYFZSA-N 2 0 406.574 3.679 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989289 1013563112 /nfs/dbraw/zinc/56/31/12/1013563112.db2.gz ALZXJSBTDDDEFU-SQJMNOBHSA-N 2 0 401.554 3.897 20 0 HHADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889828 965574234 /nfs/dbraw/zinc/57/42/34/965574234.db2.gz HYPXZDKCXROKLB-HXUWFJFHSA-N 2 0 410.606 3.803 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951594 966045368 /nfs/dbraw/zinc/04/53/68/966045368.db2.gz JQHJMCZUVWFZAI-ZEQRLZLVSA-N 2 0 409.574 3.859 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000542715714 1013628062 /nfs/dbraw/zinc/62/80/62/1013628062.db2.gz ZRUUMWGCJOYDKA-VQTJNVASSA-N 2 0 400.611 3.933 20 0 HHADRP Clc1ccc(-c2n[nH]cc2C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000061015799 966351121 /nfs/dbraw/zinc/35/11/21/966351121.db2.gz IUQJUWYZBDKRLA-UHFFFAOYSA-N 2 0 409.965 3.638 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000061070522 966364512 /nfs/dbraw/zinc/36/45/12/966364512.db2.gz HUNVKMRBZXZAAM-QFIPXVFZSA-N 2 0 410.562 3.554 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000056792174 966465829 /nfs/dbraw/zinc/46/58/29/966465829.db2.gz MZTQNXHQKOFFGV-OAQYLSRUSA-N 2 0 416.541 3.719 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000061469203 966472828 /nfs/dbraw/zinc/47/28/28/966472828.db2.gz BAVSOTAJLVWIRQ-HXUWFJFHSA-N 2 0 408.590 3.980 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056813603 966477171 /nfs/dbraw/zinc/47/71/71/966477171.db2.gz ATCUKGPKEPNMIX-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000056846032 966490484 /nfs/dbraw/zinc/49/04/84/966490484.db2.gz SWUQDEHGUWPYRU-UHFFFAOYSA-N 2 0 400.611 3.792 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056950116 966527146 /nfs/dbraw/zinc/52/71/46/966527146.db2.gz UDQPSHCKOJWLHA-QFIPXVFZSA-N 2 0 400.542 3.768 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791635 966555550 /nfs/dbraw/zinc/55/55/50/966555550.db2.gz NNKBOAAEUUCJMQ-UHFFFAOYSA-N 2 0 404.624 3.616 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000062500072 966692510 /nfs/dbraw/zinc/69/25/10/966692510.db2.gz CXIIOBMHVRAGPF-UHFFFAOYSA-N 2 0 402.970 3.545 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000042209004 966744787 /nfs/dbraw/zinc/74/47/87/966744787.db2.gz MBMHGRQQYZAFIN-JOCHJYFZSA-N 2 0 418.029 3.563 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000042208593 966745054 /nfs/dbraw/zinc/74/50/54/966745054.db2.gz GHOYQFIRFFEHAH-UHFFFAOYSA-N 2 0 404.002 3.765 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000042208651 966745162 /nfs/dbraw/zinc/74/51/62/966745162.db2.gz BMWGAKCKZKLZBU-UHFFFAOYSA-N 2 0 410.393 3.603 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000553883003 1013675598 /nfs/dbraw/zinc/67/55/98/1013675598.db2.gz ZWBCFLBOIBZZPR-NQIIRXRSSA-N 2 0 419.013 3.820 20 0 HHADRP CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000063407507 966846628 /nfs/dbraw/zinc/84/66/28/966846628.db2.gz XCYKIYPNHHWWNT-UHFFFAOYSA-N 2 0 412.622 3.777 20 0 HHADRP CN(CCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784824 1013681191 /nfs/dbraw/zinc/68/11/91/1013681191.db2.gz RCTRJUKKFBQFBB-HRAATJIYSA-N 2 0 404.917 3.510 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000042929044 966870692 /nfs/dbraw/zinc/87/06/92/966870692.db2.gz RIMMXQVRTPWQGD-UHFFFAOYSA-N 2 0 408.590 3.992 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167057 966922850 /nfs/dbraw/zinc/92/28/50/966922850.db2.gz SSBYCLJUJUSJJM-QFIPXVFZSA-N 2 0 410.562 3.689 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542830218 1013695905 /nfs/dbraw/zinc/69/59/05/1013695905.db2.gz WRJRGDVYSMYONG-MDKPJZGXSA-N 2 0 407.002 3.895 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000043800395 967036587 /nfs/dbraw/zinc/03/65/87/967036587.db2.gz AXUWTNYGDOZFSB-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848720 1013707722 /nfs/dbraw/zinc/70/77/22/1013707722.db2.gz AYGYBKIWHFLYSD-CYFREDJKSA-N 2 0 407.558 3.621 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000542850553 1013709431 /nfs/dbraw/zinc/70/94/31/1013709431.db2.gz YXESRPITXBBMHA-QAPCUYQASA-N 2 0 419.363 3.875 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000044908075 967312193 /nfs/dbraw/zinc/31/21/93/967312193.db2.gz PIAFWHZXIVHQLA-UHFFFAOYSA-N 2 0 422.411 3.653 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC000065055718 967359455 /nfs/dbraw/zinc/35/94/55/967359455.db2.gz MKAHZUDTWRFCHN-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccsc1 ZINC000045541314 967493544 /nfs/dbraw/zinc/49/35/44/967493544.db2.gz TZTZODIBDNSXRW-NRFANRHFSA-N 2 0 400.592 3.836 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000045789396 967553179 /nfs/dbraw/zinc/55/31/79/967553179.db2.gz GNFJNEBBPGXGST-NRFANRHFSA-N 2 0 412.622 3.936 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000045976454 967614078 /nfs/dbraw/zinc/61/40/78/967614078.db2.gz PLJJBJKULWEYOQ-HXUWFJFHSA-N 2 0 415.626 3.771 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000554030466 1013764271 /nfs/dbraw/zinc/76/42/71/1013764271.db2.gz GWUWITLHAPATEN-MRXNPFEDSA-N 2 0 415.651 3.995 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000542941756 1013774878 /nfs/dbraw/zinc/77/48/78/1013774878.db2.gz DSWKTMJBEMOIQR-GOSISDBHSA-N 2 0 402.583 3.806 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000047884144 968352182 /nfs/dbraw/zinc/35/21/82/968352182.db2.gz LTKKDDRAYQVKKH-WOJBJXKFSA-N 2 0 400.611 3.837 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065938391 968728067 /nfs/dbraw/zinc/72/80/67/968728067.db2.gz CQWVFKDGYRPIFR-UHFFFAOYSA-N 2 0 401.501 3.765 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000072036025 968948123 /nfs/dbraw/zinc/94/81/23/968948123.db2.gz PTWCAZTUNPRSJA-QFIPXVFZSA-N 2 0 410.562 3.628 20 0 HHADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097326 968990064 /nfs/dbraw/zinc/99/00/64/968990064.db2.gz VGDNWCRPXUNRME-LJQANCHMSA-N 2 0 423.557 3.629 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626736 969049142 /nfs/dbraw/zinc/04/91/42/969049142.db2.gz BLMYSAOCTZYVNX-OAQYLSRUSA-N 2 0 424.564 3.818 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000109899821 969590182 /nfs/dbraw/zinc/59/01/82/969590182.db2.gz CENCLGBAAQTCNH-UHFFFAOYSA-N 2 0 400.611 3.554 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000554279449 1013891301 /nfs/dbraw/zinc/89/13/01/1013891301.db2.gz LFFMYQQVKIWUFY-VFNWGFHPSA-N 2 0 419.928 3.876 20 0 HHADRP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110798232 969724727 /nfs/dbraw/zinc/72/47/27/969724727.db2.gz LUBUYOLPYIHKPW-LJQANCHMSA-N 2 0 411.615 3.865 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000138840576 970012299 /nfs/dbraw/zinc/01/22/99/970012299.db2.gz IFUAOTPNPZZBNQ-UHFFFAOYSA-N 2 0 414.516 3.651 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000139488716 970033489 /nfs/dbraw/zinc/03/34/89/970033489.db2.gz WVXWXONWVZVABW-UHFFFAOYSA-N 2 0 407.562 3.924 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000139921774 970053791 /nfs/dbraw/zinc/05/37/91/970053791.db2.gz MSJXRMYDWBXZTK-IBGZPJMESA-N 2 0 404.624 3.521 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)N1CC[NH+](C)CC1 ZINC000236689118 970155843 /nfs/dbraw/zinc/15/58/43/970155843.db2.gz MLJUJDWAMYWDPK-DEOSSOPVSA-N 2 0 409.622 3.587 20 0 HHADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000236716615 970161400 /nfs/dbraw/zinc/16/14/00/970161400.db2.gz HSDVXUFVPGOPDV-UHFFFAOYSA-N 2 0 412.578 3.850 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236848947 970179781 /nfs/dbraw/zinc/17/97/81/970179781.db2.gz FRZHADXYOUSDIQ-FQEVSTJZSA-N 2 0 421.564 3.794 20 0 HHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000236940318 970190826 /nfs/dbraw/zinc/19/08/26/970190826.db2.gz UCPMXMJPSJLKSV-UHFFFAOYSA-N 2 0 418.029 3.958 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000237100615 970222243 /nfs/dbraw/zinc/22/22/43/970222243.db2.gz OVZZOOPESXRBAB-UHFFFAOYSA-N 2 0 421.463 3.518 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237108749 970223852 /nfs/dbraw/zinc/22/38/52/970223852.db2.gz IZYIFCMJMAXMPL-UHFFFAOYSA-N 2 0 424.980 3.579 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]CC3=Cc4cc(Cl)cc(Cl)c4OC3)cn2)CC1 ZINC000237107574 970223888 /nfs/dbraw/zinc/22/38/88/970223888.db2.gz XGKSSSHVZGHFTK-UHFFFAOYSA-N 2 0 419.356 3.706 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237170299 970235142 /nfs/dbraw/zinc/23/51/42/970235142.db2.gz CERSWDWZABZQBM-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP COc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc2c1OCCO2 ZINC000237210561 970242170 /nfs/dbraw/zinc/24/21/70/970242170.db2.gz QKQVMKGUGURAJR-UHFFFAOYSA-N 2 0 408.498 3.981 20 0 HHADRP COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000237255428 970249100 /nfs/dbraw/zinc/24/91/00/970249100.db2.gz VCBOZZYTDCWUKI-HSZRJFAPSA-N 2 0 411.590 3.636 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)N1CC[NH+](C)CC1 ZINC000237408306 970279447 /nfs/dbraw/zinc/27/94/47/970279447.db2.gz BUZNVLMLVNDHHC-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237502922 970302862 /nfs/dbraw/zinc/30/28/62/970302862.db2.gz KBFDLRQXGUJDFG-NRFANRHFSA-N 2 0 403.574 3.573 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237501828 970302876 /nfs/dbraw/zinc/30/28/76/970302876.db2.gz OXILYMUJEOKEGE-IBGZPJMESA-N 2 0 412.578 3.993 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000237502874 970302922 /nfs/dbraw/zinc/30/29/22/970302922.db2.gz FBGUOKSOEWGWFF-QFIPXVFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237523197 970307934 /nfs/dbraw/zinc/30/79/34/970307934.db2.gz GCJMUSIZJNIMLS-OAQYLSRUSA-N 2 0 405.586 3.856 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000554548745 1013975565 /nfs/dbraw/zinc/97/55/65/1013975565.db2.gz HPZPOVPVKMSBML-QGZVFWFLSA-N 2 0 423.026 3.757 20 0 HHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000237665185 970334481 /nfs/dbraw/zinc/33/44/81/970334481.db2.gz GNPTXHPPKCRHFO-JOCHJYFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000237740723 970351295 /nfs/dbraw/zinc/35/12/95/970351295.db2.gz QUQMYBUXAPNVON-NRFANRHFSA-N 2 0 405.586 3.856 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575219 1013980732 /nfs/dbraw/zinc/98/07/32/1013980732.db2.gz BKPOTXYVJTWGTB-NFBKMPQASA-N 2 0 400.611 3.659 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237827735 970376839 /nfs/dbraw/zinc/37/68/39/970376839.db2.gz FMCRZZDXFWSDSH-JOCHJYFZSA-N 2 0 411.977 3.915 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237965356 970407586 /nfs/dbraw/zinc/40/75/86/970407586.db2.gz VXPAOSTZLOWXKW-DEOSSOPVSA-N 2 0 404.558 3.866 20 0 HHADRP C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)CC1 ZINC000554810954 1014053595 /nfs/dbraw/zinc/05/35/95/1014053595.db2.gz WBBUUTFFTFEXDE-UHFFFAOYSA-N 2 0 403.530 3.751 20 0 HHADRP Cc1cc(Br)ccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397610189 972873258 /nfs/dbraw/zinc/87/32/58/972873258.db2.gz ZBCOCZXJKGNLLZ-UHFFFAOYSA-N 2 0 403.364 3.874 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000398164276 972877197 /nfs/dbraw/zinc/87/71/97/972877197.db2.gz SRXLERZEWMWTEX-MAODMQOUSA-N 2 0 403.364 3.983 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000410311620 973854188 /nfs/dbraw/zinc/85/41/88/973854188.db2.gz XZGZHUUHBSHHAW-QHCPKHFHSA-N 2 0 400.611 3.503 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000410356482 973947118 /nfs/dbraw/zinc/94/71/18/973947118.db2.gz XDLCHZRQXPYBMG-HXUWFJFHSA-N 2 0 400.611 3.838 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000410365046 973959046 /nfs/dbraw/zinc/95/90/46/973959046.db2.gz CKFISQMPGGHJOR-NRFANRHFSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000410381831 973980275 /nfs/dbraw/zinc/98/02/75/973980275.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 2 0 408.590 3.991 20 0 HHADRP C[NH+](C)CC1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CCCCC1 ZINC000426111059 974233249 /nfs/dbraw/zinc/23/32/49/974233249.db2.gz HCDBVECELIBUOR-UHFFFAOYSA-N 2 0 414.594 3.952 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000426158427 974272957 /nfs/dbraw/zinc/27/29/57/974272957.db2.gz CIFULSVVPUYMLP-OAQYLSRUSA-N 2 0 400.567 3.643 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826475 974691098 /nfs/dbraw/zinc/69/10/98/974691098.db2.gz OVAIBEVAQZKBIL-CEXWTWQISA-N 2 0 422.013 3.729 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1Cl ZINC000426837778 974701677 /nfs/dbraw/zinc/70/16/77/974701677.db2.gz YVSRUJFGUWPWDA-QRVBRYPASA-N 2 0 422.013 3.729 20 0 HHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCS2 ZINC000427691136 975240391 /nfs/dbraw/zinc/24/03/91/975240391.db2.gz SHYYCZJRSCDDPF-NRFANRHFSA-N 2 0 411.619 3.822 20 0 HHADRP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000427710067 975247338 /nfs/dbraw/zinc/24/73/38/975247338.db2.gz NCKTVZBXVODSOB-HXUWFJFHSA-N 2 0 419.495 3.675 20 0 HHADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000428394607 975714944 /nfs/dbraw/zinc/71/49/44/975714944.db2.gz VZFMOGXAJGBEBM-UHFFFAOYSA-N 2 0 406.574 3.591 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753113 976026282 /nfs/dbraw/zinc/02/62/82/976026282.db2.gz MDWVWKDXYQRGLK-LGVFNWMJSA-N 2 0 408.590 3.859 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753112 976026950 /nfs/dbraw/zinc/02/69/50/976026950.db2.gz MDWVWKDXYQRGLK-IMSXRSKXSA-N 2 0 408.590 3.859 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428856516 976146673 /nfs/dbraw/zinc/14/66/73/976146673.db2.gz NILJXYSBCAISAV-GMAHTHKFSA-N 2 0 400.611 3.995 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900507 976202572 /nfs/dbraw/zinc/20/25/72/976202572.db2.gz HVNCBYOTCPNANS-RBBKRZOGSA-N 2 0 424.589 3.968 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000428921917 976222081 /nfs/dbraw/zinc/22/20/81/976222081.db2.gz ONFOYINVWIBYKE-YPAWHYETSA-N 2 0 422.658 3.562 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000429068008 976353731 /nfs/dbraw/zinc/35/37/31/976353731.db2.gz BHTAPUNCWHYUDQ-YOSAUDMPSA-N 2 0 421.589 3.742 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079313 976364178 /nfs/dbraw/zinc/36/41/78/976364178.db2.gz AGZYRCAIKPQHBB-URXFXBBRSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430758650 977734626 /nfs/dbraw/zinc/73/46/26/977734626.db2.gz BAQRLWDXRAHZKY-FQEVSTJZSA-N 2 0 415.647 3.907 20 0 HHADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000430944387 977905374 /nfs/dbraw/zinc/90/53/74/977905374.db2.gz LVRAWWYRUPCFTR-IBGZPJMESA-N 2 0 418.601 3.589 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430978964 977924904 /nfs/dbraw/zinc/92/49/04/977924904.db2.gz MIRSIKJZNCOZIC-MISYRCLQSA-N 2 0 400.592 3.703 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[NH+]1CCC(C)CC1 ZINC000431287900 978173761 /nfs/dbraw/zinc/17/37/61/978173761.db2.gz PINFAXAZQVOPCJ-JOCHJYFZSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000431621994 978391507 /nfs/dbraw/zinc/39/15/07/978391507.db2.gz DMBBESIHLDHNQC-UHFFFAOYSA-N 2 0 414.638 3.751 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000431642940 978402926 /nfs/dbraw/zinc/40/29/26/978402926.db2.gz JPOSVCPRFLQAFG-UHFFFAOYSA-N 2 0 406.590 3.657 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000431646510 978406051 /nfs/dbraw/zinc/40/60/51/978406051.db2.gz DCRBZVSJLFXGMS-UHFFFAOYSA-N 2 0 406.590 3.657 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698101 978442881 /nfs/dbraw/zinc/44/28/81/978442881.db2.gz KUIGIWWJRQPPSQ-GBXCKJPGSA-N 2 0 408.590 3.991 20 0 HHADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786612 978513007 /nfs/dbraw/zinc/51/30/07/978513007.db2.gz SZVNIOMHAMQKNE-MBSDFSHPSA-N 2 0 416.585 3.552 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](CC)CC)cc1 ZINC000431976365 978626816 /nfs/dbraw/zinc/62/68/16/978626816.db2.gz CJOBUZLBWSJXPO-WVUPVLJSSA-N 2 0 400.611 3.946 20 0 HHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432356608 978775351 /nfs/dbraw/zinc/77/53/51/978775351.db2.gz IOHOYWMCZDMVTK-HXUWFJFHSA-N 2 0 405.546 3.525 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]C2CC(c3cccc(Br)c3)C2)ccn1 ZINC000432413797 978800998 /nfs/dbraw/zinc/80/09/98/978800998.db2.gz OQOOYHXQIIKNOU-UHFFFAOYSA-N 2 0 404.352 3.820 20 0 HHADRP CCC1(CO)CC[NH+](Cc2cc(C[NH+]3CCC(CC)(CO)CC3)cc(OC)c2)CC1 ZINC000432776182 978971283 /nfs/dbraw/zinc/97/12/83/978971283.db2.gz ZINHYYSOKHBYQQ-UHFFFAOYSA-N 2 0 418.622 3.664 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835932 978987851 /nfs/dbraw/zinc/98/78/51/978987851.db2.gz KFXTUMYQCFGJES-OFVILXPXSA-N 2 0 405.586 3.954 20 0 HHADRP COc1cc(C[NH+](C)C[C@H]2CCCC[C@H]2O)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854934 978992990 /nfs/dbraw/zinc/99/29/90/978992990.db2.gz SYZMCABGHFYEJR-VYJUTURXSA-N 2 0 418.622 3.661 20 0 HHADRP CC(C)[NH+](Cc1cc(Br)ccc1C[N@@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963144 979026226 /nfs/dbraw/zinc/02/62/26/979026226.db2.gz ZKBUREPQJRYOAR-IAGOWNOFSA-N 2 0 415.416 3.632 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1cccc(Cl)c1 ZINC000433051877 979052996 /nfs/dbraw/zinc/05/29/96/979052996.db2.gz JFINLBNQHUNBNW-UHFFFAOYSA-N 2 0 411.977 3.944 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)c2)CC1 ZINC000433094726 979069842 /nfs/dbraw/zinc/06/98/42/979069842.db2.gz YEAIMARMTYGVKF-NRFANRHFSA-N 2 0 416.610 3.583 20 0 HHADRP CCOc1cccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433117572 979080970 /nfs/dbraw/zinc/08/09/70/979080970.db2.gz UVKPRJWKTHHMSY-UHFFFAOYSA-N 2 0 421.585 3.690 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125928 979086460 /nfs/dbraw/zinc/08/64/60/979086460.db2.gz AOCAPWMPOZLDCS-DEOSSOPVSA-N 2 0 422.569 3.617 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433181805 979124293 /nfs/dbraw/zinc/12/42/93/979124293.db2.gz YUUXOILLXOJFKK-HXUWFJFHSA-N 2 0 409.549 3.819 20 0 HHADRP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000433270368 979204950 /nfs/dbraw/zinc/20/49/50/979204950.db2.gz DFXBGHDSJYINGX-FQEVSTJZSA-N 2 0 414.594 3.889 20 0 HHADRP FC(F)(F)c1cnc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000433331327 979242448 /nfs/dbraw/zinc/24/24/48/979242448.db2.gz LUWGEYTWSGMGFF-UHFFFAOYSA-N 2 0 412.525 3.850 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000433387969 979269452 /nfs/dbraw/zinc/26/94/52/979269452.db2.gz SOQLKNYCQDXDEC-KCZVDYSFSA-N 2 0 421.601 3.698 20 0 HHADRP CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434142050 979901868 /nfs/dbraw/zinc/90/18/68/979901868.db2.gz BFQZHOKWNHYKEF-DEOSSOPVSA-N 2 0 407.558 3.789 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000435510216 980909476 /nfs/dbraw/zinc/90/94/76/980909476.db2.gz GLRJWSCUHVNLMH-UHFFFAOYSA-N 2 0 419.573 3.635 20 0 HHADRP Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435527169 980921026 /nfs/dbraw/zinc/92/10/26/980921026.db2.gz KUKNVGGZCLIQJV-QFIPXVFZSA-N 2 0 424.593 3.633 20 0 HHADRP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435529315 980923609 /nfs/dbraw/zinc/92/36/09/980923609.db2.gz REHXLUIXCROLAO-RBBKRZOGSA-N 2 0 424.593 3.634 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532016 980924759 /nfs/dbraw/zinc/92/47/59/980924759.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 2 0 424.593 3.587 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000435787679 981031579 /nfs/dbraw/zinc/03/15/79/981031579.db2.gz PXAHJDPPNLFMRA-UHFFFAOYSA-N 2 0 416.573 3.546 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)c2)C1 ZINC000436227601 981259273 /nfs/dbraw/zinc/25/92/73/981259273.db2.gz MPAKCKOJJDNPDK-NQHRYMMQSA-N 2 0 405.586 3.885 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)c2)C1 ZINC000436227599 981259476 /nfs/dbraw/zinc/25/94/76/981259476.db2.gz MPAKCKOJJDNPDK-FTBPSBKWSA-N 2 0 405.586 3.885 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000436245650 981267197 /nfs/dbraw/zinc/26/71/97/981267197.db2.gz NHGVOWNFLGDDOZ-UHFFFAOYSA-N 2 0 413.871 3.940 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436399227 981348514 /nfs/dbraw/zinc/34/85/14/981348514.db2.gz ILKRJISRIIJDQO-FPOVZHCZSA-N 2 0 413.528 3.792 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448209904 981623516 /nfs/dbraw/zinc/62/35/16/981623516.db2.gz VULBRYWCTIRLGF-DENIHFKCSA-N 2 0 416.635 3.618 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448212810 981627017 /nfs/dbraw/zinc/62/70/17/981627017.db2.gz LYIHINVPFUMVQI-SPHCQZIESA-N 2 0 410.606 3.698 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000448466730 981801901 /nfs/dbraw/zinc/80/19/01/981801901.db2.gz NTKUXFXDHBRYCJ-MZKRTTBSSA-N 2 0 400.611 3.933 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472119 981813130 /nfs/dbraw/zinc/81/31/30/981813130.db2.gz NNRRTMNVLASYNP-GOTSBHOMSA-N 2 0 400.611 3.518 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473739 981815290 /nfs/dbraw/zinc/81/52/90/981815290.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000460143487 981915476 /nfs/dbraw/zinc/91/54/76/981915476.db2.gz OUFAOHZLEGOQGG-DNVJHFABSA-N 2 0 424.589 3.826 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000460403537 982184749 /nfs/dbraw/zinc/18/47/49/982184749.db2.gz ROJQMABVCUNKCE-GOTSBHOMSA-N 2 0 400.611 3.659 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000460505432 982294189 /nfs/dbraw/zinc/29/41/89/982294189.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 2 0 414.638 3.599 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000437765328 982343032 /nfs/dbraw/zinc/34/30/32/982343032.db2.gz ONZMYYKJOUYBLT-OAQYLSRUSA-N 2 0 410.562 3.613 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000438117579 982596284 /nfs/dbraw/zinc/59/62/84/982596284.db2.gz OXAQTYOXVJBGME-SFHVURJKSA-N 2 0 404.599 3.540 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438155828 982619716 /nfs/dbraw/zinc/61/97/16/982619716.db2.gz RPPMGCCWCBAQSX-LADGPHEKSA-N 2 0 412.622 3.947 20 0 HHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000460961730 982692841 /nfs/dbraw/zinc/69/28/41/982692841.db2.gz WLEILSSWTLLOOZ-NRFANRHFSA-N 2 0 415.626 3.905 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438367993 982749469 /nfs/dbraw/zinc/74/94/69/982749469.db2.gz QGYXPYDZGUWJEK-QFBILLFUSA-N 2 0 415.409 3.764 20 0 HHADRP Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1OC(C)C ZINC000438403960 982770019 /nfs/dbraw/zinc/77/00/19/982770019.db2.gz RRFRVMNCVHVKJD-UHFFFAOYSA-N 2 0 411.550 3.511 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438502556 982843986 /nfs/dbraw/zinc/84/39/86/982843986.db2.gz CLRQYARVMVHFPE-FQEVSTJZSA-N 2 0 411.550 3.754 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)cn2)CCO1 ZINC000438829406 983100622 /nfs/dbraw/zinc/10/06/22/983100622.db2.gz CHDITMOCZNDMDP-QUVATAORSA-N 2 0 408.590 3.840 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000438840717 983109030 /nfs/dbraw/zinc/10/90/30/983109030.db2.gz NYPHORJSHDFZRB-AQNXPRMDSA-N 2 0 415.626 3.663 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448408 983113993 /nfs/dbraw/zinc/11/39/93/983113993.db2.gz YDHSRGPVZITXQN-IZZNHLLZSA-N 2 0 417.597 3.879 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000438961670 983180156 /nfs/dbraw/zinc/18/01/56/983180156.db2.gz BERBYTRYHRVGKM-HXUWFJFHSA-N 2 0 423.605 3.948 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977049 983191047 /nfs/dbraw/zinc/19/10/47/983191047.db2.gz SENSRXLBPBHSOY-YKSBVNFPSA-N 2 0 421.589 3.743 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)cn2)CC1 ZINC000439134605 983267286 /nfs/dbraw/zinc/26/72/86/983267286.db2.gz OIMCEKNNZOQPLH-LJQANCHMSA-N 2 0 421.408 3.898 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142577 983270542 /nfs/dbraw/zinc/27/05/42/983270542.db2.gz PFFKHLJBNWAKIG-RDTXWAMCSA-N 2 0 400.430 3.825 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000439196010 983304005 /nfs/dbraw/zinc/30/40/05/983304005.db2.gz DCGVTSXHIHOQGX-LJQANCHMSA-N 2 0 413.610 3.703 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000439198318 983305763 /nfs/dbraw/zinc/30/57/63/983305763.db2.gz CHLKPAVMVUESRU-HXUWFJFHSA-N 2 0 415.626 3.664 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199483 983307050 /nfs/dbraw/zinc/30/70/50/983307050.db2.gz NYZIMYYBHYGESP-XZOQPEGZSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000439599215 983466047 /nfs/dbraw/zinc/46/60/47/983466047.db2.gz SMCHRRQZLFCHES-JOCHJYFZSA-N 2 0 407.489 3.946 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000440175742 983670267 /nfs/dbraw/zinc/67/02/67/983670267.db2.gz QDAWELMAPCIALX-HSZRJFAPSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440816642 983919263 /nfs/dbraw/zinc/91/92/63/983919263.db2.gz NNKUASXCNOGOIK-RZFJCUDFSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000440826301 983925103 /nfs/dbraw/zinc/92/51/03/983925103.db2.gz MBOKWCGZNAQQPG-YGWXTMFKSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270455 984150470 /nfs/dbraw/zinc/15/04/70/984150470.db2.gz UIPYMHSULWZRKJ-ZFJSRUIDSA-N 2 0 423.557 3.991 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1F ZINC000441445401 984255008 /nfs/dbraw/zinc/25/50/08/984255008.db2.gz ITBTWHUWEDYZEM-HNNXBMFYSA-N 2 0 412.347 3.725 20 0 HHADRP C[N@H+](C[C@H](O)COCc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612419 984355549 /nfs/dbraw/zinc/35/55/49/984355549.db2.gz PCPMGQAPLUOHON-IRLDBZIGSA-N 2 0 402.966 3.671 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461887192 984910775 /nfs/dbraw/zinc/91/07/75/984910775.db2.gz DKMOGLDAXHEBIL-UHFFFAOYSA-N 2 0 401.545 3.734 20 0 HHADRP COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1C ZINC000462009551 984988483 /nfs/dbraw/zinc/98/84/83/984988483.db2.gz WFCKNAHRLQRNNB-UHFFFAOYSA-N 2 0 424.589 3.505 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000462033367 985010186 /nfs/dbraw/zinc/01/01/86/985010186.db2.gz SNRUEBBLTAJEDU-UHFFFAOYSA-N 2 0 408.590 3.988 20 0 HHADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864748 985250526 /nfs/dbraw/zinc/25/05/26/985250526.db2.gz AMKSELGLIGXTSV-FQEVSTJZSA-N 2 0 421.589 3.590 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872196 985253475 /nfs/dbraw/zinc/25/34/75/985253475.db2.gz HPHWDCPKENXSPC-QGZVFWFLSA-N 2 0 400.792 3.705 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCC3)cc1 ZINC000442874502 985254698 /nfs/dbraw/zinc/25/46/98/985254698.db2.gz QQEJRDRAXUIPLG-LJQANCHMSA-N 2 0 414.619 3.812 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCC3)cc1 ZINC000442874498 985254831 /nfs/dbraw/zinc/25/48/31/985254831.db2.gz QQEJRDRAXUIPLG-IBGZPJMESA-N 2 0 414.619 3.812 20 0 HHADRP Cc1ccc(NC2CC[NH+](CCC(F)(F)F)CC2)cc1NC(=O)CC[NH+](C)C ZINC000468043417 985701059 /nfs/dbraw/zinc/70/10/59/985701059.db2.gz VMCWIZYKLNHMDH-UHFFFAOYSA-N 2 0 400.489 3.714 20 0 HHADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000443588212 985764818 /nfs/dbraw/zinc/76/48/18/985764818.db2.gz HVVZFEACVNKZIG-UHFFFAOYSA-N 2 0 408.590 3.641 20 0 HHADRP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468106927 985767475 /nfs/dbraw/zinc/76/74/75/985767475.db2.gz VQERWMVAPAQKTP-UHFFFAOYSA-N 2 0 409.599 3.665 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635394 985816417 /nfs/dbraw/zinc/81/64/17/985816417.db2.gz YCWJHWSSSYWQHN-QPPBQGQZSA-N 2 0 414.638 3.703 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000443697097 985910135 /nfs/dbraw/zinc/91/01/35/985910135.db2.gz ICSJZHRJHWHMQI-MRXNPFEDSA-N 2 0 416.532 3.755 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463008318 985961563 /nfs/dbraw/zinc/96/15/63/985961563.db2.gz GRMSLWYFZDXLKE-HYBUGGRVSA-N 2 0 408.590 3.800 20 0 HHADRP Cc1ccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000463073119 986030236 /nfs/dbraw/zinc/03/02/36/986030236.db2.gz GWTLQCYCIZNGGX-SANMLTNESA-N 2 0 407.602 3.665 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)c2)C1 ZINC000468429567 986127980 /nfs/dbraw/zinc/12/79/80/986127980.db2.gz QCKOMILIRVIWLB-GVAUOCQISA-N 2 0 405.586 3.885 20 0 HHADRP Cc1ccc(C[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)cc1Cl ZINC000443977535 986182825 /nfs/dbraw/zinc/18/28/25/986182825.db2.gz DKPCSGBLMUKJAT-UHFFFAOYSA-N 2 0 401.938 3.599 20 0 HHADRP FC(F)(F)c1ncc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000443979400 986184387 /nfs/dbraw/zinc/18/43/87/986184387.db2.gz NNLFUILBBRSGBI-UHFFFAOYSA-N 2 0 412.525 3.850 20 0 HHADRP c1ccc(CN2CCO[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000463296741 986264396 /nfs/dbraw/zinc/26/43/96/986264396.db2.gz GGXINKXOSITPMG-SBZWWDHJSA-N 2 0 405.586 3.673 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000468580475 986286763 /nfs/dbraw/zinc/28/67/63/986286763.db2.gz UQQHGCYRKOIONR-UHFFFAOYSA-N 2 0 422.617 3.665 20 0 HHADRP Cc1cc(N2CCC[C@H]([NH+]3CCC(C[NH+](C)C)CC3)C2=O)ccc1Br ZINC000463490735 986466698 /nfs/dbraw/zinc/46/66/98/986466698.db2.gz NRHRRIQGYBKFQL-IBGZPJMESA-N 2 0 408.384 3.527 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444460378 986642767 /nfs/dbraw/zinc/64/27/67/986642767.db2.gz KDOKAYMFWZKBQT-UHFFFAOYSA-N 2 0 407.514 3.703 20 0 HHADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2C)cc1 ZINC000463736364 986722922 /nfs/dbraw/zinc/72/29/22/986722922.db2.gz OJIGXFFXECYXCC-RTBURBONSA-N 2 0 414.594 3.536 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000444886124 987037438 /nfs/dbraw/zinc/03/74/38/987037438.db2.gz DAOFRAFIKZPKEN-OAQYLSRUSA-N 2 0 407.002 3.897 20 0 HHADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000469494748 987174255 /nfs/dbraw/zinc/17/42/55/987174255.db2.gz XHSVMFCQWKVRTA-UHFFFAOYSA-N 2 0 400.526 3.984 20 0 HHADRP C[C@@H](NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C(C)(C)C[NH+](C)C ZINC000469686644 987344236 /nfs/dbraw/zinc/34/42/36/987344236.db2.gz ACBJJTKRMAKAHP-GOSISDBHSA-N 2 0 417.598 3.599 20 0 HHADRP C[C@H]1C[C@@H](C(=O)N(C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC(F)(F)F)CC[N@@H+]1C ZINC000469709213 987365334 /nfs/dbraw/zinc/36/53/34/987365334.db2.gz WDNDKLVTVHQVSR-SXLOBPIMSA-N 2 0 411.512 3.630 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000469780414 987427812 /nfs/dbraw/zinc/42/78/12/987427812.db2.gz OAQNGSQCBVVEJS-AWEZNQCLSA-N 2 0 409.443 3.535 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000469794160 987437461 /nfs/dbraw/zinc/43/74/61/987437461.db2.gz NDMDLQMSRCPPOT-LGVFNWMJSA-N 2 0 423.601 3.882 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000469794041 987437480 /nfs/dbraw/zinc/43/74/80/987437480.db2.gz LQUJZDXSVNEFCC-KXBFYZLASA-N 2 0 417.363 3.694 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)cc2)CC1 ZINC000469838207 987472834 /nfs/dbraw/zinc/47/28/34/987472834.db2.gz JHWQQSBCZVLIHD-UHFFFAOYSA-N 2 0 419.573 3.597 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000470065348 987960125 /nfs/dbraw/zinc/96/01/25/987960125.db2.gz IUBVZSKMGOQUQY-SFHVURJKSA-N 2 0 414.516 3.870 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470277806 988232180 /nfs/dbraw/zinc/23/21/80/988232180.db2.gz MRFOEDJWCBUPFJ-IBGZPJMESA-N 2 0 414.516 3.681 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470286167 988243035 /nfs/dbraw/zinc/24/30/35/988243035.db2.gz VYHKBBVCXFEIGQ-RTBURBONSA-N 2 0 412.500 3.578 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@@H](C)C1 ZINC000470287092 988244319 /nfs/dbraw/zinc/24/43/19/988244319.db2.gz YBNYAECXPMJPBS-SNRMKQJTSA-N 2 0 414.516 3.680 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291955 988250640 /nfs/dbraw/zinc/25/06/40/988250640.db2.gz VOEOVHHNHWHYBT-MOPGFXCFSA-N 2 0 412.500 3.578 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000470731133 988761889 /nfs/dbraw/zinc/76/18/89/988761889.db2.gz CLWTWRXGSIAAFS-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000470731132 988762448 /nfs/dbraw/zinc/76/24/48/988762448.db2.gz CLWTWRXGSIAAFS-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753553 988795563 /nfs/dbraw/zinc/79/55/63/988795563.db2.gz FHYVVMZHKKIDFX-NHCUHLMSSA-N 2 0 418.651 3.894 20 0 HHADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464670417 988867581 /nfs/dbraw/zinc/86/75/81/988867581.db2.gz MNAKUFGULQQFHJ-TZIWHRDSSA-N 2 0 411.512 3.631 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464670416 988868169 /nfs/dbraw/zinc/86/81/69/988868169.db2.gz MNAKUFGULQQFHJ-PZJWPPBQSA-N 2 0 411.512 3.631 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471479705 989676320 /nfs/dbraw/zinc/67/63/20/989676320.db2.gz IDJLBFKBPGYXGB-XPWALMASSA-N 2 0 422.573 3.580 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000465450528 989790478 /nfs/dbraw/zinc/79/04/78/989790478.db2.gz ALZXBRSYOIFGDG-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000465457589 989797508 /nfs/dbraw/zinc/79/75/08/989797508.db2.gz XCYXDKICLUCPHI-UPVQGACJSA-N 2 0 408.590 3.843 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603881 989807985 /nfs/dbraw/zinc/80/79/85/989807985.db2.gz VJWZAPFYUQHIKB-DSNGMDLFSA-N 2 0 418.585 3.597 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465520430 989872306 /nfs/dbraw/zinc/87/23/06/989872306.db2.gz AQIBECYJLLSFHN-GHTZIAJQSA-N 2 0 407.002 3.850 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000465532715 989893407 /nfs/dbraw/zinc/89/34/07/989893407.db2.gz VQEIAXQCRWBYRQ-PZJWPPBQSA-N 2 0 404.599 3.592 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000465558488 989923230 /nfs/dbraw/zinc/92/32/30/989923230.db2.gz QDLLPIHCLKKXQK-HSZRJFAPSA-N 2 0 400.611 3.934 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000465568384 989936481 /nfs/dbraw/zinc/93/64/81/989936481.db2.gz KJSGVEWUTAGXKW-NHCUHLMSSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000465584149 989956658 /nfs/dbraw/zinc/95/66/58/989956658.db2.gz ZMADSZVTBQLJGP-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP C[NH+](C)C1(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)Cc2ccccc2C1 ZINC000465592149 989970302 /nfs/dbraw/zinc/97/03/02/989970302.db2.gz GKJZGKHJDBYICE-UHFFFAOYSA-N 2 0 420.601 3.571 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465593673 989973003 /nfs/dbraw/zinc/97/30/03/989973003.db2.gz GUHFJLLCPHGERW-DYXWJJEUSA-N 2 0 406.640 3.942 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000465594677 989974836 /nfs/dbraw/zinc/97/48/36/989974836.db2.gz ILVQMJHWRDPQDZ-PZJWPPBQSA-N 2 0 404.599 3.592 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000465632447 990018781 /nfs/dbraw/zinc/01/87/81/990018781.db2.gz NUQFQCDREPOLJM-CTNGQTDRSA-N 2 0 400.592 3.692 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000465696927 990082871 /nfs/dbraw/zinc/08/28/71/990082871.db2.gz SXZSZJRGKSKJMP-RBBKRZOGSA-N 2 0 416.610 3.738 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465698836 990084784 /nfs/dbraw/zinc/08/47/84/990084784.db2.gz WPSXTPPYMVWVAQ-NRFANRHFSA-N 2 0 400.611 3.803 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000465724570 990110231 /nfs/dbraw/zinc/11/02/31/990110231.db2.gz SLUQUXJQJBJZPE-RPBOFIJWSA-N 2 0 422.617 3.713 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465724703 990110248 /nfs/dbraw/zinc/11/02/48/990110248.db2.gz NQINVCPYROKMRF-RZUBCFFCSA-N 2 0 414.619 3.603 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727260 990112396 /nfs/dbraw/zinc/11/23/96/990112396.db2.gz OYXYQOCJJPHJNB-WOJBJXKFSA-N 2 0 424.511 3.744 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727258 990112440 /nfs/dbraw/zinc/11/24/40/990112440.db2.gz OYXYQOCJJPHJNB-UXHICEINSA-N 2 0 424.511 3.744 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000471962627 990128006 /nfs/dbraw/zinc/12/80/06/990128006.db2.gz FLICYGLEHYLMIJ-RPWUZVMVSA-N 2 0 422.573 3.899 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465825074 990208311 /nfs/dbraw/zinc/20/83/11/990208311.db2.gz BEKZQQZDGOYISU-FQEVSTJZSA-N 2 0 404.624 3.524 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472056899 990221527 /nfs/dbraw/zinc/22/15/27/990221527.db2.gz AQAAFJQQMGFUIS-RXVVDRJESA-N 2 0 424.992 3.989 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465859640 990970602 /nfs/dbraw/zinc/97/06/02/990970602.db2.gz BQSIZVVSAWYRHD-XUZZJYLKSA-N 2 0 414.638 3.845 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000465870847 990984560 /nfs/dbraw/zinc/98/45/60/990984560.db2.gz MYHLCLLWSPBDNX-XMMPIXPASA-N 2 0 414.638 3.847 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465879380 990997227 /nfs/dbraw/zinc/99/72/27/990997227.db2.gz ZBPKVINZVGDMQD-OFNKIYASSA-N 2 0 400.611 3.503 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000465895529 991021705 /nfs/dbraw/zinc/02/17/05/991021705.db2.gz BZGVESIGMTZLEJ-MQSCRBSSSA-N 2 0 400.611 3.803 20 0 HHADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)s1 ZINC000465939287 991077234 /nfs/dbraw/zinc/07/72/34/991077234.db2.gz RVBORJOETZLPGN-HOTGVXAUSA-N 2 0 401.020 3.910 20 0 HHADRP C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465952537 991091618 /nfs/dbraw/zinc/09/16/18/991091618.db2.gz KSXOBXWWAKQCJD-QFIPXVFZSA-N 2 0 400.611 3.949 20 0 HHADRP CN1CCC(CNC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956198 991096976 /nfs/dbraw/zinc/09/69/76/991096976.db2.gz ONNYJPNLTLCBSH-PKTZIBPZSA-N 2 0 412.622 3.647 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000466079416 991254492 /nfs/dbraw/zinc/25/44/92/991254492.db2.gz OWXHAXHIBKJWBA-PZJWPPBQSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466082783 991260205 /nfs/dbraw/zinc/26/02/05/991260205.db2.gz WNUOLMPIUAAUJY-SFHLNBCPSA-N 2 0 404.624 3.791 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000466256065 991498979 /nfs/dbraw/zinc/49/89/79/991498979.db2.gz SVXKPQJHVNQDGM-QHCPKHFHSA-N 2 0 410.562 3.907 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466514666 991801667 /nfs/dbraw/zinc/80/16/67/991801667.db2.gz MFVNFIKDQCKASI-IFMALSPDSA-N 2 0 421.589 3.531 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466514667 991801903 /nfs/dbraw/zinc/80/19/03/991801903.db2.gz MFVNFIKDQCKASI-IRLDBZIGSA-N 2 0 421.589 3.531 20 0 HHADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000466925621 992238389 /nfs/dbraw/zinc/23/83/89/992238389.db2.gz OVFQSSWUMQPZEV-NZQKXSOJSA-N 2 0 401.595 3.609 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000467007919 992316245 /nfs/dbraw/zinc/31/62/45/992316245.db2.gz VDZYJWGYGIKDBR-OAQYLSRUSA-N 2 0 414.619 3.564 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098511 992404710 /nfs/dbraw/zinc/40/47/10/992404710.db2.gz BEJLCWIAOBCZFF-OFNKIYASSA-N 2 0 400.611 3.587 20 0 HHADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1F ZINC000467201955 992526439 /nfs/dbraw/zinc/52/64/39/992526439.db2.gz ODDGZEBANVJISB-UHFFFAOYSA-N 2 0 416.541 3.694 20 0 HHADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000467208230 992532985 /nfs/dbraw/zinc/53/29/85/992532985.db2.gz RSWBPDFVHKBFDI-SFTDATJTSA-N 2 0 423.601 3.982 20 0 HHADRP C[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000467418183 992720043 /nfs/dbraw/zinc/72/00/43/992720043.db2.gz MYIBWHGHGBEOHK-GOSISDBHSA-N 2 0 417.981 3.968 20 0 HHADRP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436579 992733856 /nfs/dbraw/zinc/73/38/56/992733856.db2.gz XYINXXNTRBTZFM-HKNOCEQDSA-N 2 0 403.570 3.961 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468096 992760341 /nfs/dbraw/zinc/76/03/41/992760341.db2.gz QLLLDIWHNRNYLF-TZIWHRDSSA-N 2 0 410.562 3.720 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691249 992947769 /nfs/dbraw/zinc/94/77/69/992947769.db2.gz ANTOFPLSJBYRIB-UWHHFBIGSA-N 2 0 421.585 3.689 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467838235 993069651 /nfs/dbraw/zinc/06/96/51/993069651.db2.gz GERDTUHEIDBFAL-KRWDZBQOSA-N 2 0 421.632 3.561 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000472117706 993169697 /nfs/dbraw/zinc/16/96/97/993169697.db2.gz LSHRWEPOCALVNM-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC2)CC1 ZINC000472120170 993172325 /nfs/dbraw/zinc/17/23/25/993172325.db2.gz NHAUCWRMHURMEQ-KFULVZMISA-N 2 0 424.633 3.803 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000472131190 993183671 /nfs/dbraw/zinc/18/36/71/993183671.db2.gz WIGYOLJELUJWPT-INIZCTEOSA-N 2 0 406.368 3.825 20 0 HHADRP COc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000472138772 993193453 /nfs/dbraw/zinc/19/34/53/993193453.db2.gz RKSWABSYJMTYOG-UHFFFAOYSA-N 2 0 411.590 3.780 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000472163692 993212531 /nfs/dbraw/zinc/21/25/31/993212531.db2.gz YAMWTZYUINSXQB-CYBMUJFWSA-N 2 0 408.306 3.584 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306125 993318177 /nfs/dbraw/zinc/31/81/77/993318177.db2.gz PJDRTUGOZDQTCH-PKTZIBPZSA-N 2 0 424.614 3.845 20 0 HHADRP CCN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472387002 993382297 /nfs/dbraw/zinc/38/22/97/993382297.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 2 0 420.601 3.815 20 0 HHADRP CCN(CCC[NH+](CC)CC)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472464787 993467312 /nfs/dbraw/zinc/46/73/12/993467312.db2.gz SVAQIMHAUJHTHT-UHFFFAOYSA-N 2 0 406.537 3.555 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000480733676 993599757 /nfs/dbraw/zinc/59/97/57/993599757.db2.gz BHBWCJGVFPSFFW-LJQANCHMSA-N 2 0 420.601 3.905 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(OC)cc43)cc2)CC1 ZINC000480739364 993606000 /nfs/dbraw/zinc/60/60/00/993606000.db2.gz MUFGGBVTNFHZGK-DEOSSOPVSA-N 2 0 409.574 3.836 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480791925 993660479 /nfs/dbraw/zinc/66/04/79/993660479.db2.gz ANLPRIKLLGAOCD-FQEVSTJZSA-N 2 0 420.601 3.775 20 0 HHADRP COc1cc(F)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000480797799 993667004 /nfs/dbraw/zinc/66/70/04/993667004.db2.gz RNHOMIFEZLSWMK-AVRDEDQJSA-N 2 0 415.553 3.872 20 0 HHADRP CC(C)[NH+](CCCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)C ZINC000472759246 993696953 /nfs/dbraw/zinc/69/69/53/993696953.db2.gz ZQUPDSVYBQEUKZ-UHFFFAOYSA-N 2 0 406.640 3.908 20 0 HHADRP Fc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000480851695 993723870 /nfs/dbraw/zinc/72/38/70/993723870.db2.gz XGZISACHHICXJZ-DEOSSOPVSA-N 2 0 419.548 3.897 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000480970149 993811195 /nfs/dbraw/zinc/81/11/95/993811195.db2.gz XMWNTDBKIRDTCI-WZONZLPQSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480970147 993811207 /nfs/dbraw/zinc/81/12/07/993811207.db2.gz XMWNTDBKIRDTCI-JPYJTQIMSA-N 2 0 412.553 3.781 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000473069764 993989485 /nfs/dbraw/zinc/98/94/85/993989485.db2.gz CABRZWABQZXVSF-KRWDZBQOSA-N 2 0 400.489 3.894 20 0 HHADRP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481202468 994036466 /nfs/dbraw/zinc/03/64/66/994036466.db2.gz SNVDDLNEQGNZKD-XGXGVJEESA-N 2 0 424.585 3.968 20 0 HHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000481252903 994077555 /nfs/dbraw/zinc/07/75/55/994077555.db2.gz HRTGEIUMPFPUAP-IFMALSPDSA-N 2 0 412.553 3.797 20 0 HHADRP C[NH+](C)[C@@]1(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CCSC1 ZINC000481287151 994103324 /nfs/dbraw/zinc/10/33/24/994103324.db2.gz OWIKGQQFWMBQDT-HSZRJFAPSA-N 2 0 418.651 3.688 20 0 HHADRP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000473258596 994108739 /nfs/dbraw/zinc/10/87/39/994108739.db2.gz YOSASJCWYQQYDQ-UHFFFAOYSA-N 2 0 400.611 3.915 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000481683237 994543661 /nfs/dbraw/zinc/54/36/61/994543661.db2.gz FKTIMTMTNIZLPL-UHFFFAOYSA-N 2 0 400.542 3.747 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCN(Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718494 994579622 /nfs/dbraw/zinc/57/96/22/994579622.db2.gz PZDDKWCLEZIIGB-LVXARBLLSA-N 2 0 422.617 3.802 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000481724306 994584869 /nfs/dbraw/zinc/58/48/69/994584869.db2.gz GTPVKQDQEHIHBR-IBGZPJMESA-N 2 0 415.603 3.822 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000473749973 994657324 /nfs/dbraw/zinc/65/73/24/994657324.db2.gz VYWKLNURZUILNA-PMACEKPBSA-N 2 0 424.589 3.905 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)c2)CC1 ZINC000473835715 994768346 /nfs/dbraw/zinc/76/83/46/994768346.db2.gz LDBVFLXUYVLNGQ-UHFFFAOYSA-N 2 0 413.610 3.558 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000481924360 994795956 /nfs/dbraw/zinc/79/59/56/994795956.db2.gz PLEXERXCFTYFSM-DHIUTWEWSA-N 2 0 408.546 3.856 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932187 994804422 /nfs/dbraw/zinc/80/44/22/994804422.db2.gz MQLKSSSQIVLDII-IHPCNDPISA-N 2 0 410.002 3.654 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000473885736 994835297 /nfs/dbraw/zinc/83/52/97/994835297.db2.gz NPLPEMOHGVHQHN-FGZHOGPDSA-N 2 0 414.638 3.954 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962916 994944535 /nfs/dbraw/zinc/94/45/35/994944535.db2.gz HDCVTAPICLNPAA-QNWVGRARSA-N 2 0 400.611 3.974 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000473981809 994968757 /nfs/dbraw/zinc/96/87/57/994968757.db2.gz GGRLBWJDQLEGRQ-BBHUYCHWSA-N 2 0 414.594 3.538 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000482050409 994975822 /nfs/dbraw/zinc/97/58/22/994975822.db2.gz PMWMXXQLPLMMLU-WDJPJFJCSA-N 2 0 411.590 3.744 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474044516 995035416 /nfs/dbraw/zinc/03/54/16/995035416.db2.gz NCXVPBPNSYPZAZ-TUUBTQOTSA-N 2 0 412.622 3.981 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000474069116 995055951 /nfs/dbraw/zinc/05/59/51/995055951.db2.gz ZIBBPUMGHAJNOO-NRFANRHFSA-N 2 0 401.595 3.634 20 0 HHADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000482119245 995065949 /nfs/dbraw/zinc/06/59/49/995065949.db2.gz GJBCWYCVNNAVNX-NRFANRHFSA-N 2 0 404.505 3.936 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000482235036 995217980 /nfs/dbraw/zinc/21/79/80/995217980.db2.gz PLOMCSOXFVXOAV-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000482237169 995220279 /nfs/dbraw/zinc/22/02/79/995220279.db2.gz AIAHSKJEWYVGBQ-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000482259859 995238312 /nfs/dbraw/zinc/23/83/12/995238312.db2.gz HLGAVRHRAZDWES-XMMPIXPASA-N 2 0 410.558 3.962 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482267068 995245306 /nfs/dbraw/zinc/24/53/06/995245306.db2.gz HXFXKVIDOJILKK-GGAORHGYSA-N 2 0 412.622 3.945 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339622 995318327 /nfs/dbraw/zinc/31/83/27/995318327.db2.gz VXJKMQRZHAHUAV-WOJBJXKFSA-N 2 0 407.624 3.632 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482349104 995327894 /nfs/dbraw/zinc/32/78/94/995327894.db2.gz HOZVEVFFLOWHJD-QGZVFWFLSA-N 2 0 404.002 3.758 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000482432957 995426135 /nfs/dbraw/zinc/42/61/35/995426135.db2.gz CLICOPDUCHWDPA-PXNSSMCTSA-N 2 0 414.619 3.669 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000474474601 995434876 /nfs/dbraw/zinc/43/48/76/995434876.db2.gz WYZYEKYSAWHERQ-TZGNXLPDSA-N 2 0 402.579 3.897 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000482442981 995439405 /nfs/dbraw/zinc/43/94/05/995439405.db2.gz DYJUBHBPXCUJNN-QGZVFWFLSA-N 2 0 423.483 3.628 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)c(C)c2c1 ZINC000482458342 995460187 /nfs/dbraw/zinc/46/01/87/995460187.db2.gz MBMXBWSHYWIBBR-LJQANCHMSA-N 2 0 423.561 3.793 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000474511577 995472618 /nfs/dbraw/zinc/47/26/18/995472618.db2.gz CMSHFKMEOHXLNF-SFTDATJTSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000474511678 995472792 /nfs/dbraw/zinc/47/27/92/995472792.db2.gz IKQVCYIRDYRIJT-SFTDATJTSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000474516645 995480183 /nfs/dbraw/zinc/48/01/83/995480183.db2.gz SYIODYDYZFBMTG-WOJBJXKFSA-N 2 0 400.611 3.516 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000474525607 995491286 /nfs/dbraw/zinc/49/12/86/995491286.db2.gz RHUMYYMBKSIFEL-SJBKTWHCSA-N 2 0 400.611 3.516 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482534839 995543146 /nfs/dbraw/zinc/54/31/46/995543146.db2.gz OJPBOUWBUHRKRS-HUUCEWRRSA-N 2 0 410.393 3.774 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540431 995548188 /nfs/dbraw/zinc/54/81/88/995548188.db2.gz DGZDKLOEBHLDES-HOCLYGCPSA-N 2 0 403.514 3.579 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482543886 995551954 /nfs/dbraw/zinc/55/19/54/995551954.db2.gz MXDHLOJAFXHWPC-OAQYLSRUSA-N 2 0 411.638 3.592 20 0 HHADRP Clc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(-n2cncn2)c1 ZINC000474595420 995553427 /nfs/dbraw/zinc/55/34/27/995553427.db2.gz BBQXVOCYLCGCGN-UHFFFAOYSA-N 2 0 401.967 3.984 20 0 HHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554790 995562196 /nfs/dbraw/zinc/56/21/96/995562196.db2.gz QFSHAOINOKVZDY-IFMALSPDSA-N 2 0 409.574 3.812 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000482562620 995569247 /nfs/dbraw/zinc/56/92/47/995569247.db2.gz XNRIWCIXWDXHOM-IBGZPJMESA-N 2 0 407.558 3.621 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587142 995589707 /nfs/dbraw/zinc/58/97/07/995589707.db2.gz XLCYJDGIHWOMAF-WMTXJRDZSA-N 2 0 410.606 3.699 20 0 HHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482621719 995617223 /nfs/dbraw/zinc/61/72/23/995617223.db2.gz UCCFEAIFZKDBPU-MOPGFXCFSA-N 2 0 412.603 3.570 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623793 995618923 /nfs/dbraw/zinc/61/89/23/995618923.db2.gz QSDANTHCVXNSSY-ILWGZMRPSA-N 2 0 400.611 3.659 20 0 HHADRP Cn1cc(-c2ncc(C[NH2+]CCCC[NH+]3CCC(Cc4ccccc4)CC3)cn2)cn1 ZINC000474712570 995651418 /nfs/dbraw/zinc/65/14/18/995651418.db2.gz NLORSSDECTYNAH-UHFFFAOYSA-N 2 0 418.589 3.702 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474732773 995666623 /nfs/dbraw/zinc/66/66/23/995666623.db2.gz DDJICTKWSJAZCI-CQSZACIVSA-N 2 0 422.333 3.831 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000474743984 995677191 /nfs/dbraw/zinc/67/71/91/995677191.db2.gz UIXLCSUFTLPNRX-SQJMNOBHSA-N 2 0 405.586 3.946 20 0 HHADRP Cc1ccc(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000474803347 995716245 /nfs/dbraw/zinc/71/62/45/995716245.db2.gz AMQOYYSFZPIXGZ-UHFFFAOYSA-N 2 0 406.496 3.883 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474814630 995721645 /nfs/dbraw/zinc/72/16/45/995721645.db2.gz YANMYZKNAAMNPQ-FAEJEUNOSA-N 2 0 405.549 3.960 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878566 995811982 /nfs/dbraw/zinc/81/19/82/995811982.db2.gz UZQAYKPECRAALW-NSHGMRRFSA-N 2 0 424.427 3.754 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878563 995812235 /nfs/dbraw/zinc/81/22/35/995812235.db2.gz UZQAYKPECRAALW-BJLQDIEVSA-N 2 0 424.427 3.754 20 0 HHADRP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475003583 995860184 /nfs/dbraw/zinc/86/01/84/995860184.db2.gz PEBFTSGLXHADFR-QFIPXVFZSA-N 2 0 424.593 3.587 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015813 995872053 /nfs/dbraw/zinc/87/20/53/995872053.db2.gz KLLJINOZIUAJMS-SFTDATJTSA-N 2 0 412.603 3.801 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475145260 995953155 /nfs/dbraw/zinc/95/31/55/995953155.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175794 995972979 /nfs/dbraw/zinc/97/29/79/995972979.db2.gz RTNSJARQKBBXEC-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475224631 996008148 /nfs/dbraw/zinc/00/81/48/996008148.db2.gz OOFSBVIFKWIGLL-QUCCMNQESA-N 2 0 411.546 3.533 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221347 996045575 /nfs/dbraw/zinc/04/55/75/996045575.db2.gz ZIRUWPSNNDMYMM-KNQAVFIVSA-N 2 0 411.590 3.745 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475317982 996067207 /nfs/dbraw/zinc/06/72/07/996067207.db2.gz HFJQKCOSFHSSSL-QFIPXVFZSA-N 2 0 412.622 3.647 20 0 HHADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)s1 ZINC000483315824 996094226 /nfs/dbraw/zinc/09/42/26/996094226.db2.gz QAVDHBJKLFIQBM-WMZOPIPTSA-N 2 0 423.648 3.568 20 0 HHADRP CS[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483387978 996144702 /nfs/dbraw/zinc/14/47/02/996144702.db2.gz CTKMPEZWGCKMDR-BJKOFHAPSA-N 2 0 423.626 3.970 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487169 996212520 /nfs/dbraw/zinc/21/25/20/996212520.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 2 0 424.585 3.559 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475555279 996216975 /nfs/dbraw/zinc/21/69/75/996216975.db2.gz QEOXKEZJRAMMJM-QHCPKHFHSA-N 2 0 409.574 3.754 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1C ZINC000483708510 996341057 /nfs/dbraw/zinc/34/10/57/996341057.db2.gz JMUJBIWNROVUDG-DYESRHJHSA-N 2 0 407.002 3.819 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483823449 996410490 /nfs/dbraw/zinc/41/04/90/996410490.db2.gz SBBMTGCZVBYANQ-LJQANCHMSA-N 2 0 412.553 3.782 20 0 HHADRP C[N@H+](CCNC(=O)Nc1nc(CN2CCCCC2)cs1)Cc1ccc(F)cc1 ZINC000483845715 996423018 /nfs/dbraw/zinc/42/30/18/996423018.db2.gz AGVXEJWUNOZGOV-UHFFFAOYSA-N 2 0 405.543 3.522 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483887256 996449717 /nfs/dbraw/zinc/44/97/17/996449717.db2.gz RKFPZFAEIJUXIM-NNWRFLSQSA-N 2 0 410.562 3.626 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935518 996483909 /nfs/dbraw/zinc/48/39/09/996483909.db2.gz VIXIWOSKYFYBIT-HYBUGGRVSA-N 2 0 423.605 3.867 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979271 996503265 /nfs/dbraw/zinc/50/32/65/996503265.db2.gz PNLFWGVALONTNU-AWRGLXIESA-N 2 0 420.601 3.643 20 0 HHADRP CC(C)[C@](C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000484338901 996712923 /nfs/dbraw/zinc/71/29/23/996712923.db2.gz JMXLXNYPKBWHCH-NRFANRHFSA-N 2 0 422.411 3.653 20 0 HHADRP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000484478583 996798639 /nfs/dbraw/zinc/79/86/39/996798639.db2.gz CWNAENPKYOGUCY-NRFANRHFSA-N 2 0 423.601 3.759 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)s2)cc1 ZINC000484484760 996805595 /nfs/dbraw/zinc/80/55/95/996805595.db2.gz OHDHUAYYNVPDLO-MRXNPFEDSA-N 2 0 402.608 3.804 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000484508428 996838021 /nfs/dbraw/zinc/83/80/21/996838021.db2.gz PGPWYURIERXDCZ-REWPJTCUSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968313 997340448 /nfs/dbraw/zinc/34/04/48/997340448.db2.gz FNUFZSATDIBDEP-DFQSSKMNSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000476871370 997447817 /nfs/dbraw/zinc/44/78/17/997447817.db2.gz DDGXYIOIMSQKNG-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476970224 997588258 /nfs/dbraw/zinc/58/82/58/997588258.db2.gz HPFJQQOUZZLPNC-HXUWFJFHSA-N 2 0 401.595 3.630 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011410 997644247 /nfs/dbraw/zinc/64/42/47/997644247.db2.gz YFNINTOIJUYDQH-NQIIRXRSSA-N 2 0 403.929 3.964 20 0 HHADRP Cc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000477080738 997733334 /nfs/dbraw/zinc/73/33/34/997733334.db2.gz FKBKCQAXSSTCMQ-XMSQKQJNSA-N 2 0 412.582 3.580 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000485373166 997799244 /nfs/dbraw/zinc/79/92/44/997799244.db2.gz DGQAFJBXJJWOAF-UHFFFAOYSA-N 2 0 403.958 3.621 20 0 HHADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000485414385 997848186 /nfs/dbraw/zinc/84/81/86/997848186.db2.gz WRJNELKQAKHGJZ-UHFFFAOYSA-N 2 0 413.484 3.611 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485492169 997943959 /nfs/dbraw/zinc/94/39/59/997943959.db2.gz LMZNNNBTBYUEKR-LJQANCHMSA-N 2 0 404.624 3.620 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000477278732 997958213 /nfs/dbraw/zinc/95/82/13/997958213.db2.gz OYPVKEBJONRMCO-IBGZPJMESA-N 2 0 404.599 3.786 20 0 HHADRP COCc1cccc(OCC2(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)CC2)c1 ZINC000477369819 998056754 /nfs/dbraw/zinc/05/67/54/998056754.db2.gz YBCZYCREDOLYEV-NHCUHLMSSA-N 2 0 416.606 3.813 20 0 HHADRP COCc1cccc(OCC2(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)CC2)c1 ZINC000477369821 998056775 /nfs/dbraw/zinc/05/67/75/998056775.db2.gz YBCZYCREDOLYEV-SFTDATJTSA-N 2 0 416.606 3.813 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965949 998407378 /nfs/dbraw/zinc/40/73/78/998407378.db2.gz IIXFJYRMWRPNPJ-ZWKOTPCHSA-N 2 0 417.541 3.642 20 0 HHADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089417 998536614 /nfs/dbraw/zinc/53/66/14/998536614.db2.gz LNWPBGGRRKXWFG-RUZDIDTESA-N 2 0 421.585 3.693 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000477869084 998618928 /nfs/dbraw/zinc/61/89/28/998618928.db2.gz XBQKYXGTODGPDN-GOSISDBHSA-N 2 0 415.603 3.645 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345986 998722164 /nfs/dbraw/zinc/72/21/64/998722164.db2.gz NVVYLASQGGVKBB-ADYITMSISA-N 2 0 400.611 3.564 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000478408805 998942064 /nfs/dbraw/zinc/94/20/64/998942064.db2.gz BFIYVDNIWXGIIG-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016386 999037278 /nfs/dbraw/zinc/03/72/78/999037278.db2.gz ZXCWLZAQEXAGRD-HSZRJFAPSA-N 2 0 405.586 3.965 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000487031358 999042555 /nfs/dbraw/zinc/04/25/55/999042555.db2.gz TXBNKCKLMIGKGV-QHCPKHFHSA-N 2 0 423.626 3.530 20 0 HHADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060777 999051325 /nfs/dbraw/zinc/05/13/25/999051325.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 2 0 408.590 3.717 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000478903669 999202817 /nfs/dbraw/zinc/20/28/17/999202817.db2.gz XOWYINBJOGNBGP-PXDATVDWSA-N 2 0 420.601 3.656 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219292 /nfs/dbraw/zinc/21/92/92/999219292.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 2 0 413.009 3.704 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000479294870 999370330 /nfs/dbraw/zinc/37/03/30/999370330.db2.gz UPBJGDJHVXTWNP-UTKZUKDTSA-N 2 0 402.380 3.764 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[NH+]1CCN(Cc3ccccc3)CC1)CC2 ZINC000479332466 999389591 /nfs/dbraw/zinc/38/95/91/999389591.db2.gz FNAYQILORXJATP-DEOSSOPVSA-N 2 0 423.601 3.879 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333311 999390079 /nfs/dbraw/zinc/39/00/79/999390079.db2.gz WOKLYUARYXNCKX-ZIAGYGMSSA-N 2 0 422.422 3.804 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000479348815 999397619 /nfs/dbraw/zinc/39/76/19/999397619.db2.gz NEISNKMUJOPMTC-RTWAWAEBSA-N 2 0 418.607 3.740 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000488436704 999486937 /nfs/dbraw/zinc/48/69/37/999486937.db2.gz TXJDCZKQXFHXOZ-INIZCTEOSA-N 2 0 415.500 3.816 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000479610808 999500298 /nfs/dbraw/zinc/50/02/98/999500298.db2.gz FVLKNNSHNAFGQM-NRFANRHFSA-N 2 0 420.601 3.505 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478568 999501361 /nfs/dbraw/zinc/50/13/61/999501361.db2.gz PNTLBZWSVYIENC-HYBUGGRVSA-N 2 0 423.626 3.876 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000488546460 999523451 /nfs/dbraw/zinc/52/34/51/999523451.db2.gz KWHSTCZKSRKKJX-BVYCBKJFSA-N 2 0 420.548 3.758 20 0 HHADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480047251 999700296 /nfs/dbraw/zinc/70/02/96/999700296.db2.gz JCHBHOREDDALJX-MRXNPFEDSA-N 2 0 419.591 3.718 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000489141848 999710887 /nfs/dbraw/zinc/71/08/87/999710887.db2.gz RPYASZHWXCPHNO-WOJBJXKFSA-N 2 0 407.002 3.724 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178963 999717104 /nfs/dbraw/zinc/71/71/04/999717104.db2.gz XXZABCMPISSDEJ-LAUBAEHRSA-N 2 0 418.582 3.701 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178962 999717170 /nfs/dbraw/zinc/71/71/70/999717170.db2.gz XXZABCMPISSDEJ-DYESRHJHSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480149969 999731002 /nfs/dbraw/zinc/73/10/02/999731002.db2.gz UYZKEWLROYPANO-LJQANCHMSA-N 2 0 413.587 3.673 20 0 HHADRP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000489338427 999748461 /nfs/dbraw/zinc/74/84/61/999748461.db2.gz WGHUAQXJGBYHMV-OAQYLSRUSA-N 2 0 420.601 3.739 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480256635 999757592 /nfs/dbraw/zinc/75/75/92/999757592.db2.gz LJWBKWRTNAZCCL-IBGZPJMESA-N 2 0 413.587 3.673 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407767 999760660 /nfs/dbraw/zinc/76/06/60/999760660.db2.gz UUJMPHAZBFERBF-RDPSFJRHSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445086 999769119 /nfs/dbraw/zinc/76/91/19/999769119.db2.gz LFSJCEPQUHZTHX-YKSBVNFPSA-N 2 0 412.622 3.993 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCCC5)ccn2)CC1 ZINC000489585728 999797718 /nfs/dbraw/zinc/79/77/18/999797718.db2.gz MVLXCRFKDLAXKE-HSZRJFAPSA-N 2 0 406.574 3.716 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616794 999803564 /nfs/dbraw/zinc/80/35/64/999803564.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 2 0 408.590 3.717 20 0 HHADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000489631554 999806285 /nfs/dbraw/zinc/80/62/85/999806285.db2.gz NOONBRUSYDAYGF-NRFANRHFSA-N 2 0 408.590 3.813 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489632191 999806509 /nfs/dbraw/zinc/80/65/09/999806509.db2.gz GHBCLQJGBRGUSO-HXUWFJFHSA-N 2 0 409.574 3.716 20 0 HHADRP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636284 999807403 /nfs/dbraw/zinc/80/74/03/999807403.db2.gz SPBHRRAWKLCTDL-JOCHJYFZSA-N 2 0 407.602 3.886 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480536824 999821080 /nfs/dbraw/zinc/82/10/80/999821080.db2.gz DJPROJNFQJTUQW-MOPGFXCFSA-N 2 0 410.400 3.524 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000480542790 999822413 /nfs/dbraw/zinc/82/24/13/999822413.db2.gz UCCARTVHAVADAL-VGOFRKELSA-N 2 0 404.002 3.757 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000480550697 999824268 /nfs/dbraw/zinc/82/42/68/999824268.db2.gz MLKWEAGVFULXQX-RHSMWYFYSA-N 2 0 421.479 3.812 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737062 999828132 /nfs/dbraw/zinc/82/81/32/999828132.db2.gz DYJKLSNSRCRFGS-JOCHJYFZSA-N 2 0 400.611 3.505 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773164 999835450 /nfs/dbraw/zinc/83/54/50/999835450.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 2 0 420.601 3.515 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000480610463 999840434 /nfs/dbraw/zinc/84/04/34/999840434.db2.gz JBXGLJXHPLELGM-VMIIQTFKSA-N 2 0 408.590 3.695 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489802535 999841266 /nfs/dbraw/zinc/84/12/66/999841266.db2.gz CRSBSXHWDRLDQV-MOPGFXCFSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822578 999844384 /nfs/dbraw/zinc/84/43/84/999844384.db2.gz BJSDFTISAIHZJH-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489832465 999845998 /nfs/dbraw/zinc/84/59/98/999845998.db2.gz CDCSIFVKKZYODP-RCZVLFRGSA-N 2 0 422.617 3.979 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847296 999848724 /nfs/dbraw/zinc/84/87/24/999848724.db2.gz ZEFFQXHIABDFBD-ZCYQVOJMSA-N 2 0 420.601 3.687 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000480660862 999853358 /nfs/dbraw/zinc/85/33/58/999853358.db2.gz QBGKOIJDYOGPGH-SFTDATJTSA-N 2 0 410.606 3.932 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)ccc3OC(F)F)cn2)CC1 ZINC000480688721 999859751 /nfs/dbraw/zinc/85/97/51/999859751.db2.gz JBIJDGOPQZSGRC-QGZVFWFLSA-N 2 0 404.505 3.984 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)ccn2)CC1 ZINC000480694851 999861524 /nfs/dbraw/zinc/86/15/24/999861524.db2.gz OCHSAPBUQRUWNQ-IBGZPJMESA-N 2 0 419.342 3.512 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000489977764 999872070 /nfs/dbraw/zinc/87/20/70/999872070.db2.gz BVURMQFDQGSHMF-DEOSSOPVSA-N 2 0 409.574 3.716 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490123825 999896460 /nfs/dbraw/zinc/89/64/60/999896460.db2.gz FVCKVRRFLDHZOJ-JOCHJYFZSA-N 2 0 403.517 3.993 20 0 HHADRP C[C@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490633349 999986831 /nfs/dbraw/zinc/98/68/31/999986831.db2.gz ZYCJXLRBTBLPHQ-GHTZIAJQSA-N 2 0 413.528 3.822 20 0 HHADRP C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825833 1000012550 /nfs/dbraw/zinc/01/25/50/1000012550.db2.gz LCPYLWVTKCOFLL-PZJWPPBQSA-N 2 0 410.562 3.659 20 0 HHADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490992450 1000031444 /nfs/dbraw/zinc/03/14/44/1000031444.db2.gz VXRBZEHVLHURID-NZQKXSOJSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491020892 1000034609 /nfs/dbraw/zinc/03/46/09/1000034609.db2.gz NNGWDWHLCYNKGG-IIBYNOLFSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491020893 1000034667 /nfs/dbraw/zinc/03/46/67/1000034667.db2.gz NNGWDWHLCYNKGG-KKSFZXQISA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024356 1000035346 /nfs/dbraw/zinc/03/53/46/1000035346.db2.gz XDBQTPSKSWXUNU-CZSZKKDXSA-N 2 0 420.601 3.958 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147253 1000050176 /nfs/dbraw/zinc/05/01/76/1000050176.db2.gz WUQHZPVWCKZWGC-WMIMKTLMSA-N 2 0 412.622 3.660 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491341687 1000066666 /nfs/dbraw/zinc/06/66/66/1000066666.db2.gz FTVUKJLKLKGIHQ-NRFANRHFSA-N 2 0 420.370 3.905 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000492578702 1000133405 /nfs/dbraw/zinc/13/34/05/1000133405.db2.gz IEUVMCREKNTGDZ-FJIJXJHWSA-N 2 0 408.590 3.542 20 0 HHADRP C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000492782494 1000143781 /nfs/dbraw/zinc/14/37/81/1000143781.db2.gz HIMSNXDTODOBJS-DYESRHJHSA-N 2 0 419.038 3.938 20 0 HHADRP COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521325 1000248584 /nfs/dbraw/zinc/24/85/84/1000248584.db2.gz KPTLFXOSCOPRTF-NFBKMPQASA-N 2 0 421.585 3.654 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615961 1000294112 /nfs/dbraw/zinc/29/41/12/1000294112.db2.gz WLZHGSKVECHDFA-NHCUHLMSSA-N 2 0 401.501 3.563 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504931026 1000455375 /nfs/dbraw/zinc/45/53/75/1000455375.db2.gz RSLFCMNJTOQXHW-FGZHOGPDSA-N 2 0 410.562 3.770 20 0 HHADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC000494510732 1000532365 /nfs/dbraw/zinc/53/23/65/1000532365.db2.gz ZUANPCHSFXNAPF-UHFFFAOYSA-N 2 0 406.574 3.658 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158813 1000585022 /nfs/dbraw/zinc/58/50/22/1000585022.db2.gz ATLLBDSOVLGHPN-ZWKOTPCHSA-N 2 0 407.530 3.624 20 0 HHADRP Cc1csc(C2([NH2+]CCOCC[NH2+]C3(c4nc(C)cs4)CCC3)CCC2)n1 ZINC000494781368 1000653086 /nfs/dbraw/zinc/65/30/86/1000653086.db2.gz GUKAAKWTUVHIST-UHFFFAOYSA-N 2 0 406.621 3.871 20 0 HHADRP Cc1noc(C2CCC([NH2+]CCCC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)n1 ZINC000494908475 1000724670 /nfs/dbraw/zinc/72/46/70/1000724670.db2.gz IPGMPYXOJDBKTB-UHFFFAOYSA-N 2 0 411.594 3.905 20 0 HHADRP Cn1ncc(Br)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000494994831 1000768184 /nfs/dbraw/zinc/76/81/84/1000768184.db2.gz KSPGNDNGPOSUNA-UHFFFAOYSA-N 2 0 403.368 3.671 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000505761460 1001010591 /nfs/dbraw/zinc/01/05/91/1001010591.db2.gz HAPAMEHLFOMFPR-RDGATRHJSA-N 2 0 422.573 3.724 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434205 1001011364 /nfs/dbraw/zinc/01/13/64/1001011364.db2.gz QRNOZASETIEKPM-BBTUJRGHSA-N 2 0 401.576 3.619 20 0 HHADRP c1cc(COc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)ccn1 ZINC000506023522 1001170309 /nfs/dbraw/zinc/17/03/09/1001170309.db2.gz ZKCANUVCQJZPFS-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506047897 1001189561 /nfs/dbraw/zinc/18/95/61/1001189561.db2.gz RIGWHLABFFRCCH-SFHVURJKSA-N 2 0 405.608 3.560 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000497381797 1001323169 /nfs/dbraw/zinc/32/31/69/1001323169.db2.gz DFVMATLXVKMVFX-UHFFFAOYSA-N 2 0 414.575 3.902 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000497433898 1001362635 /nfs/dbraw/zinc/36/26/35/1001362635.db2.gz DUYUTTOBSRNAEO-AVRDEDQJSA-N 2 0 412.578 3.727 20 0 HHADRP COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458534 1001377384 /nfs/dbraw/zinc/37/73/84/1001377384.db2.gz DFXYPKAFENHUBV-NRFANRHFSA-N 2 0 423.601 3.729 20 0 HHADRP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506405832 1001398637 /nfs/dbraw/zinc/39/86/37/1001398637.db2.gz UXHOBGMXOJDXKV-VWLOTQADSA-N 2 0 406.618 3.923 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497496294 1001401905 /nfs/dbraw/zinc/40/19/05/1001401905.db2.gz YNVXAQULRAJUEX-LSTHTHJFSA-N 2 0 424.511 3.548 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[NH+](C)C)cc1 ZINC000506621466 1001473920 /nfs/dbraw/zinc/47/39/20/1001473920.db2.gz RPMPCQHXDMOPLX-XPNTWCBSSA-N 2 0 400.611 3.894 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000497711024 1001492668 /nfs/dbraw/zinc/49/26/68/1001492668.db2.gz FAJFZQSJMLJCLO-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000506884319 1001579612 /nfs/dbraw/zinc/57/96/12/1001579612.db2.gz KNGGUVHLPMGPLS-UHFFFAOYSA-N 2 0 424.029 3.605 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948625 1001722828 /nfs/dbraw/zinc/72/28/28/1001722828.db2.gz HAINXUGGQMDBSZ-KNKQGSTJSA-N 2 0 404.574 3.724 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951170 1001724683 /nfs/dbraw/zinc/72/46/83/1001724683.db2.gz MSGRFDBVOVUBPT-DXIQSLLYSA-N 2 0 404.574 3.724 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273536 1001747780 /nfs/dbraw/zinc/74/77/80/1001747780.db2.gz CSZYWEGCWSKZOF-DGQTTZFYSA-N 2 0 422.976 3.598 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Oc1ccccc1 ZINC000498535902 1001954866 /nfs/dbraw/zinc/95/48/66/1001954866.db2.gz IOULMBGNJJOYCB-UHFFFAOYSA-N 2 0 416.525 3.816 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707383 1002091084 /nfs/dbraw/zinc/09/10/84/1002091084.db2.gz SXPBGXJDCSFFKA-ZJSXRUAMSA-N 2 0 408.590 3.670 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714419 1002096619 /nfs/dbraw/zinc/09/66/19/1002096619.db2.gz LGMVSNSZTXYGLX-TZIWHRDSSA-N 2 0 414.619 3.732 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)CC1 ZINC000507510142 1002120416 /nfs/dbraw/zinc/12/04/16/1002120416.db2.gz MFAJLEHCUPPQCO-GVXSCFBNSA-N 2 0 419.617 3.935 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000498808918 1002194280 /nfs/dbraw/zinc/19/42/80/1002194280.db2.gz QVLLDZODGPTXII-UHFFFAOYSA-N 2 0 408.333 3.722 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2c3c(cccc31)CC2 ZINC000498813661 1002197569 /nfs/dbraw/zinc/19/75/69/1002197569.db2.gz KHGXRNWIPZSNOP-UHFFFAOYSA-N 2 0 415.541 3.667 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c(OCC)c2)CC1 ZINC000507593367 1002198883 /nfs/dbraw/zinc/19/88/83/1002198883.db2.gz LTUNSOSMQKROJM-FQEVSTJZSA-N 2 0 416.610 3.820 20 0 HHADRP CC[N@H+](CCc1cccs1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507658386 1002256548 /nfs/dbraw/zinc/25/65/48/1002256548.db2.gz NJGLCZYALIQYKR-UHFFFAOYSA-N 2 0 403.617 3.800 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893775 1002283700 /nfs/dbraw/zinc/28/37/00/1002283700.db2.gz JYEFFJSOMZDNSU-CKUXNOBLSA-N 2 0 424.589 3.650 20 0 HHADRP COCc1ccccc1/C=C(/C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000507746187 1002323305 /nfs/dbraw/zinc/32/33/05/1002323305.db2.gz DGXZRMRIOSDERH-HKWRFOASSA-N 2 0 415.622 3.652 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000499001072 1002379989 /nfs/dbraw/zinc/37/99/89/1002379989.db2.gz CERCVZRFZTUYEO-LADGPHEKSA-N 2 0 423.605 3.537 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102063 1002492837 /nfs/dbraw/zinc/49/28/37/1002492837.db2.gz QDSWICGKVVXSLQ-FOVJLYNBSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104557 1002496541 /nfs/dbraw/zinc/49/65/41/1002496541.db2.gz WYBXKEBBJSQKNG-SXSPYAJSSA-N 2 0 412.553 3.638 20 0 HHADRP O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499148223 1002532753 /nfs/dbraw/zinc/53/27/53/1002532753.db2.gz CHTBIKVOXLMIOR-OWZKRDHZSA-N 2 0 409.496 3.715 20 0 HHADRP Fc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153067 1002536343 /nfs/dbraw/zinc/53/63/43/1002536343.db2.gz QQFWESJJDOQJAU-XDZVQPMWSA-N 2 0 423.576 3.984 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]1CCCC1 ZINC000508022940 1002546738 /nfs/dbraw/zinc/54/67/38/1002546738.db2.gz AZKYUZHNTAAEQS-NRFANRHFSA-N 2 0 404.599 3.592 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508107305 1002632536 /nfs/dbraw/zinc/63/25/36/1002632536.db2.gz XCIZPJGWKGGIGX-HXUWFJFHSA-N 2 0 415.603 3.815 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000508187602 1002722630 /nfs/dbraw/zinc/72/26/30/1002722630.db2.gz PNIOEYKRTOEGSF-BGYRXZFFSA-N 2 0 400.611 3.648 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000508285827 1002794570 /nfs/dbraw/zinc/79/45/70/1002794570.db2.gz HFJVRSFQLRFZIS-NHCUHLMSSA-N 2 0 402.627 3.903 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000508306635 1002812755 /nfs/dbraw/zinc/81/27/55/1002812755.db2.gz AQIIJWLLCKZREM-UHFFFAOYSA-N 2 0 409.599 3.584 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578755 1002956313 /nfs/dbraw/zinc/95/63/13/1002956313.db2.gz YNGIXGKGBVWAKE-WOJBJXKFSA-N 2 0 410.562 3.754 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501796 1002983562 /nfs/dbraw/zinc/98/35/62/1002983562.db2.gz FMWYGFLESJRRKI-NRFANRHFSA-N 2 0 407.549 3.724 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000508603415 1003058739 /nfs/dbraw/zinc/05/87/39/1003058739.db2.gz IORPLBVYCBAAJR-BGYRXZFFSA-N 2 0 403.636 3.723 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508616549 1003070754 /nfs/dbraw/zinc/07/07/54/1003070754.db2.gz UXJOFBWGEBUHJE-UHFFFAOYSA-N 2 0 409.599 3.761 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693537 1003131626 /nfs/dbraw/zinc/13/16/26/1003131626.db2.gz CYAQCZZDIGLNNW-SONWIMMPSA-N 2 0 406.618 3.697 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693799 1003132138 /nfs/dbraw/zinc/13/21/38/1003132138.db2.gz BQCJMVUHQCBEKW-BWKNWUBXSA-N 2 0 401.554 3.897 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700483 1003137920 /nfs/dbraw/zinc/13/79/20/1003137920.db2.gz QTAGLROPBVQURF-AMDXRBSFSA-N 2 0 421.585 3.596 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712117 1003150413 /nfs/dbraw/zinc/15/04/13/1003150413.db2.gz BTVJRJDYHWOEBH-VXJVQAQCSA-N 2 0 413.512 3.737 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719501 1003159965 /nfs/dbraw/zinc/15/99/65/1003159965.db2.gz KWJUHZZNYZHZTO-RZFJZAQRSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508880795 1003301693 /nfs/dbraw/zinc/30/16/93/1003301693.db2.gz MKQQQVAGRDDEKL-REWPJTCUSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906759 1003345420 /nfs/dbraw/zinc/34/54/20/1003345420.db2.gz OGRXFTRCRBDUCR-FUDKSRODSA-N 2 0 400.611 3.831 20 0 HHADRP O=C(CCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500060408 1003402989 /nfs/dbraw/zinc/40/29/89/1003402989.db2.gz LMJZUBUVFYWHQR-UHFFFAOYSA-N 2 0 421.372 3.650 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000500098885 1003460035 /nfs/dbraw/zinc/46/00/35/1003460035.db2.gz NQCUSXFUJNVEQZ-DEOSSOPVSA-N 2 0 408.590 3.992 20 0 HHADRP CC(C)[NH+]1CCN(CCCN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000500128298 1003489194 /nfs/dbraw/zinc/48/91/94/1003489194.db2.gz XZLHMPGYXMIVND-UHFFFAOYSA-N 2 0 412.666 3.923 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500128571 1003489919 /nfs/dbraw/zinc/48/99/19/1003489919.db2.gz ZUDUNXRMECSEAJ-UHFFFAOYSA-N 2 0 421.589 3.664 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500131822 1003491940 /nfs/dbraw/zinc/49/19/40/1003491940.db2.gz NMGQWZQTCAOZJR-SFYKDHMMSA-N 2 0 409.578 3.598 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021449 1003492943 /nfs/dbraw/zinc/49/29/43/1003492943.db2.gz HVGVBRFKUTXKMU-HLAWJBBLSA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000500444587 1003721969 /nfs/dbraw/zinc/72/19/69/1003721969.db2.gz VAQQVDWLIIXLBX-IFMALSPDSA-N 2 0 401.595 3.513 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482200 1003740975 /nfs/dbraw/zinc/74/09/75/1003740975.db2.gz BIDUKZQWJLGLOR-URXFXBBRSA-N 2 0 421.585 3.667 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500503315 1003750806 /nfs/dbraw/zinc/75/08/06/1003750806.db2.gz PPMMCRHLSDNUPF-REWPJTCUSA-N 2 0 409.574 3.696 20 0 HHADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)cccc21 ZINC000509367261 1003795840 /nfs/dbraw/zinc/79/58/40/1003795840.db2.gz RNHYISWSROWCLF-INMHGKMJSA-N 2 0 413.484 3.919 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000500793008 1003960482 /nfs/dbraw/zinc/96/04/82/1003960482.db2.gz MGDSQPFEIOCWSC-UHFFFAOYSA-N 2 0 423.605 3.981 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000512177011 1004079676 /nfs/dbraw/zinc/07/96/76/1004079676.db2.gz BXDWWDDUJCTJKK-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189870 1004091313 /nfs/dbraw/zinc/09/13/13/1004091313.db2.gz QBTYRHQVFSLGHN-GOTSBHOMSA-N 2 0 414.638 3.954 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000501013280 1004116970 /nfs/dbraw/zinc/11/69/70/1004116970.db2.gz YOQBCHZDTBLVOF-XMMPIXPASA-N 2 0 423.580 3.922 20 0 HHADRP C[N@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027926 1004131657 /nfs/dbraw/zinc/13/16/57/1004131657.db2.gz XOVGXTGUETUZOU-HSZRJFAPSA-N 2 0 405.542 3.823 20 0 HHADRP C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046200 1004147238 /nfs/dbraw/zinc/14/72/38/1004147238.db2.gz LQXQESQEZSWLHJ-UHFFFAOYSA-N 2 0 419.577 3.754 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000501049252 1004150484 /nfs/dbraw/zinc/15/04/84/1004150484.db2.gz ALYZPQZMXRXUPH-NRFANRHFSA-N 2 0 404.986 3.747 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501052907 1004155683 /nfs/dbraw/zinc/15/56/83/1004155683.db2.gz JZAMQBLPFRUGQF-RTWAWAEBSA-N 2 0 404.986 3.747 20 0 HHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000501056032 1004158246 /nfs/dbraw/zinc/15/82/46/1004158246.db2.gz DKGAHEYMPLLLKL-NLPWIYRPSA-N 2 0 420.686 3.586 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512268735 1004169386 /nfs/dbraw/zinc/16/93/86/1004169386.db2.gz TUVICOPUKMMQQM-GUDVDZBRSA-N 2 0 400.567 3.701 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077948 1004183186 /nfs/dbraw/zinc/18/31/86/1004183186.db2.gz PVUAEFGMXDDZKV-NRFANRHFSA-N 2 0 416.928 3.828 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000501078823 1004184447 /nfs/dbraw/zinc/18/44/47/1004184447.db2.gz XZBPWJRXKUIART-FQEVSTJZSA-N 2 0 400.611 3.975 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](C)C ZINC000501099981 1004204308 /nfs/dbraw/zinc/20/43/08/1004204308.db2.gz QEDOLQXTQDITEA-JTSKRJEESA-N 2 0 400.542 3.686 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000501153360 1004239295 /nfs/dbraw/zinc/23/92/95/1004239295.db2.gz HOTMLVNNWMISFQ-UHFFFAOYSA-N 2 0 406.368 3.778 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512393161 1004266739 /nfs/dbraw/zinc/26/67/39/1004266739.db2.gz OKJIYDVGJKREAK-NHTMILBNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512406436 1004275455 /nfs/dbraw/zinc/27/54/55/1004275455.db2.gz PXJCESQNHRYIHK-ZJSXRUAMSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429791 1004297093 /nfs/dbraw/zinc/29/70/93/1004297093.db2.gz JOIGMKMJWSZDFT-ONTLXTELSA-N 2 0 412.622 3.944 20 0 HHADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510070607 1004303421 /nfs/dbraw/zinc/30/34/21/1004303421.db2.gz HZIBNCALKQHRLA-QGZVFWFLSA-N 2 0 413.541 3.522 20 0 HHADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618276 1004431442 /nfs/dbraw/zinc/43/14/42/1004431442.db2.gz IACZVNHJWFHTPF-ISQLDUATSA-N 2 0 416.512 3.595 20 0 HHADRP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634555 1004446855 /nfs/dbraw/zinc/44/68/55/1004446855.db2.gz DOCRSMKSXKJTKE-PZUNEJSGSA-N 2 0 421.585 3.544 20 0 HHADRP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512635488 1004448079 /nfs/dbraw/zinc/44/80/79/1004448079.db2.gz HNGKNKZEDFDBQV-PZUNEJSGSA-N 2 0 403.570 3.969 20 0 HHADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512637342 1004449552 /nfs/dbraw/zinc/44/95/52/1004449552.db2.gz UXDKCNLUORFZAY-DSNGMDLFSA-N 2 0 405.586 3.821 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N2CCOCC2)o1 ZINC000512652615 1004464628 /nfs/dbraw/zinc/46/46/28/1004464628.db2.gz ATABLSJOIVZPSZ-VPBXCIAMSA-N 2 0 423.601 3.852 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512698708 1004503008 /nfs/dbraw/zinc/50/30/08/1004503008.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 2 0 412.622 3.945 20 0 HHADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851987 1004615935 /nfs/dbraw/zinc/61/59/35/1004615935.db2.gz LRYUIVIJSLGCNA-RTBURBONSA-N 2 0 424.511 3.596 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512853136 1004616642 /nfs/dbraw/zinc/61/66/42/1004616642.db2.gz TZPZBZHQZMKDRX-VQTJNVASSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000510500333 1004619207 /nfs/dbraw/zinc/61/92/07/1004619207.db2.gz IZTQABXIWTWKRN-IBGZPJMESA-N 2 0 406.574 3.865 20 0 HHADRP C[C@@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000510500334 1004619245 /nfs/dbraw/zinc/61/92/45/1004619245.db2.gz IZTQABXIWTWKRN-LJQANCHMSA-N 2 0 406.574 3.865 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510505361 1004627444 /nfs/dbraw/zinc/62/74/44/1004627444.db2.gz XFBGITCANFEBNH-UNMCSNQZSA-N 2 0 412.622 3.912 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501768481 1004705557 /nfs/dbraw/zinc/70/55/57/1004705557.db2.gz WATKTMXMERUJLN-LJQANCHMSA-N 2 0 410.400 3.604 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000501776747 1004716174 /nfs/dbraw/zinc/71/61/74/1004716174.db2.gz RQLMIDUFFIXJLS-INIZCTEOSA-N 2 0 415.500 3.816 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501800212 1004742387 /nfs/dbraw/zinc/74/23/87/1004742387.db2.gz CDEJVAFHUBVHSI-FCHUYYIVSA-N 2 0 410.562 3.943 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501799999 1004742724 /nfs/dbraw/zinc/74/27/24/1004742724.db2.gz HVDSYAQLBDYZJF-XMMPIXPASA-N 2 0 406.574 3.919 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501810751 1004751513 /nfs/dbraw/zinc/75/15/13/1004751513.db2.gz SGAOSFVKGQQUDK-RPWUZVMVSA-N 2 0 406.574 3.960 20 0 HHADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000513051855 1004779989 /nfs/dbraw/zinc/77/99/89/1004779989.db2.gz NOVJRKQVLJKZAG-LJQANCHMSA-N 2 0 400.485 3.832 20 0 HHADRP C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501857959 1004780347 /nfs/dbraw/zinc/78/03/47/1004780347.db2.gz MFHVPRGOCPXOIJ-KJOQGJGQSA-N 2 0 424.633 3.947 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(Br)ccc2Cl)CC1 ZINC000501876141 1004791341 /nfs/dbraw/zinc/79/13/41/1004791341.db2.gz TZNNMQHBNPDZKN-UHFFFAOYSA-N 2 0 402.808 3.950 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000510752941 1004833268 /nfs/dbraw/zinc/83/32/68/1004833268.db2.gz VWUHHIAMIMPNOY-UHFFFAOYSA-N 2 0 415.603 3.976 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510828461 1004877956 /nfs/dbraw/zinc/87/79/56/1004877956.db2.gz YEQRONJFLYGBHR-LOSJGSFVSA-N 2 0 420.601 3.827 20 0 HHADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000510999729 1004973542 /nfs/dbraw/zinc/97/35/42/1004973542.db2.gz NQGVUDIIEFOPFZ-GNLZIIPMSA-N 2 0 404.558 3.793 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511003780 1004975570 /nfs/dbraw/zinc/97/55/70/1004975570.db2.gz WSZRMZNDKKYQHJ-GVXSCFBNSA-N 2 0 405.586 3.720 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000511015835 1004981263 /nfs/dbraw/zinc/98/12/63/1004981263.db2.gz MUMSFVWKYSOYOJ-LJQANCHMSA-N 2 0 424.511 3.550 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000513475316 1004982829 /nfs/dbraw/zinc/98/28/29/1004982829.db2.gz IPHVSWTUMBULOH-UHFFFAOYSA-N 2 0 422.573 3.606 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)CC1 ZINC000513485243 1004986257 /nfs/dbraw/zinc/98/62/57/1004986257.db2.gz OWXSDCBDNLIHJW-QHCPKHFHSA-N 2 0 419.573 3.653 20 0 HHADRP Cc1nc(COc2ccc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2)cs1 ZINC000513559405 1005022383 /nfs/dbraw/zinc/02/23/83/1005022383.db2.gz WVGLSUIATIJVIX-KRWDZBQOSA-N 2 0 403.592 3.555 20 0 HHADRP Cc1nc(COc2ccc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2)cs1 ZINC000513559406 1005022456 /nfs/dbraw/zinc/02/24/56/1005022456.db2.gz WVGLSUIATIJVIX-QGZVFWFLSA-N 2 0 403.592 3.555 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028775 /nfs/dbraw/zinc/02/87/75/1005028775.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 0 409.574 3.549 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000513587825 1005038240 /nfs/dbraw/zinc/03/82/40/1005038240.db2.gz BIMPKXSUVMOCNN-SFTDATJTSA-N 2 0 404.558 3.830 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000511157099 1005049652 /nfs/dbraw/zinc/04/96/52/1005049652.db2.gz DDZNMYACNGPRLY-UHFFFAOYSA-N 2 0 420.601 3.613 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000513659783 1005070084 /nfs/dbraw/zinc/07/00/84/1005070084.db2.gz DFIYNZOZFXAOLQ-JHNDHUHGSA-N 2 0 402.892 3.795 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000513696646 1005086222 /nfs/dbraw/zinc/08/62/22/1005086222.db2.gz BUUYGMRBAALVHG-WXFUMESZSA-N 2 0 423.557 3.789 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267520 1005098835 /nfs/dbraw/zinc/09/88/35/1005098835.db2.gz IWNNZVORNUTGHO-ICSRJNTNSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268193 1005099508 /nfs/dbraw/zinc/09/95/08/1005099508.db2.gz VOWKIQITSHKIMH-TZIWHRDSSA-N 2 0 413.610 3.592 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502591766 1005131533 /nfs/dbraw/zinc/13/15/33/1005131533.db2.gz OBZFCJUMKIRSEQ-UHFFFAOYSA-N 2 0 404.643 3.939 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511353373 1005136340 /nfs/dbraw/zinc/13/63/40/1005136340.db2.gz LISMCOXNCABWTP-HSZRJFAPSA-N 2 0 409.599 3.802 20 0 HHADRP CC[NH+]1CCC(CC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000511366690 1005140819 /nfs/dbraw/zinc/14/08/19/1005140819.db2.gz JZASQCAFOTWQTE-UHFFFAOYSA-N 2 0 422.013 3.858 20 0 HHADRP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000502627947 1005148435 /nfs/dbraw/zinc/14/84/35/1005148435.db2.gz QANZASMIGVRLPL-UHFFFAOYSA-N 2 0 424.614 3.994 20 0 HHADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000502683747 1005178939 /nfs/dbraw/zinc/17/89/39/1005178939.db2.gz FOEGUAFCNSTSEX-NRFANRHFSA-N 2 0 401.595 3.993 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC000502785523 1005216672 /nfs/dbraw/zinc/21/66/72/1005216672.db2.gz UDGNFWJGYIUJKJ-UHFFFAOYSA-N 2 0 404.574 3.600 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC000502796165 1005220999 /nfs/dbraw/zinc/22/09/99/1005220999.db2.gz ZVLNBMKKLDFTQA-LZBANZJXSA-N 2 0 404.574 3.771 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCC1 ZINC000502804064 1005224971 /nfs/dbraw/zinc/22/49/71/1005224971.db2.gz SDNQPWVZGDHFJV-JOCHJYFZSA-N 2 0 416.610 3.643 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514094341 1005262609 /nfs/dbraw/zinc/26/26/09/1005262609.db2.gz KNKGOWXYXKPOGN-FYYLOGMGSA-N 2 0 415.626 3.590 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000502896909 1005264625 /nfs/dbraw/zinc/26/46/25/1005264625.db2.gz XCVMKMNACOWYQC-OAQYLSRUSA-N 2 0 400.611 3.984 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000511662104 1005266623 /nfs/dbraw/zinc/26/66/23/1005266623.db2.gz HFRICURYKBBKSE-UHFFFAOYSA-N 2 0 420.648 3.788 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000514115260 1005272109 /nfs/dbraw/zinc/27/21/09/1005272109.db2.gz QOAREPWEBQEFPD-QHCPKHFHSA-N 2 0 415.626 3.590 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190525 1005304871 /nfs/dbraw/zinc/30/48/71/1005304871.db2.gz QOVGMHLFSGOIRT-DNQXCXABSA-N 2 0 408.590 3.604 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+]1CCCC1 ZINC000514196856 1005307841 /nfs/dbraw/zinc/30/78/41/1005307841.db2.gz DQEJZCIVGNFHTL-DHIUTWEWSA-N 2 0 424.589 3.743 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000503020885 1005317812 /nfs/dbraw/zinc/31/78/12/1005317812.db2.gz URCIXMAUZSMYNY-UHFFFAOYSA-N 2 0 407.514 3.899 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238513 1005327101 /nfs/dbraw/zinc/32/71/01/1005327101.db2.gz FDOZKLJRXDIEMV-XPNTWCBSSA-N 2 0 405.586 3.895 20 0 HHADRP CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065683 1005335200 /nfs/dbraw/zinc/33/52/00/1005335200.db2.gz ZZRDIPFJRKTHFA-XMMPIXPASA-N 2 0 420.601 3.957 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803904 1005336497 /nfs/dbraw/zinc/33/64/97/1005336497.db2.gz BAYCYFXOGWTAAF-RCCFBDPRSA-N 2 0 403.533 3.809 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369599 /nfs/dbraw/zinc/36/95/99/1005369599.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 2 0 420.601 3.686 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000503333114 1005392188 /nfs/dbraw/zinc/39/21/88/1005392188.db2.gz TVQXDAKUMWSGMV-HSZRJFAPSA-N 2 0 400.611 3.792 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356763 1005397180 /nfs/dbraw/zinc/39/71/80/1005397180.db2.gz OHVRRGBQEMWANZ-SSPYTLHUSA-N 2 0 408.590 3.808 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000503386848 1005404932 /nfs/dbraw/zinc/40/49/32/1005404932.db2.gz FIXGWJOGDXQWKX-VWNXMTODSA-N 2 0 412.622 3.977 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000503426203 1005416687 /nfs/dbraw/zinc/41/66/87/1005416687.db2.gz ZNKWCSYAVXMSEW-WOJBJXKFSA-N 2 0 418.626 3.573 20 0 HHADRP CC(C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000503445440 1005422315 /nfs/dbraw/zinc/42/23/15/1005422315.db2.gz DFNXHKKHGDZMSH-GOTSBHOMSA-N 2 0 406.659 3.896 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000503446992 1005423006 /nfs/dbraw/zinc/42/30/06/1005423006.db2.gz NQKBTTVULVWQED-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000503735762 1005487242 /nfs/dbraw/zinc/48/72/42/1005487242.db2.gz AAFLJICUELCBCW-QHCPKHFHSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+]2CCCCC2)cc1 ZINC000504229075 1005578019 /nfs/dbraw/zinc/57/80/19/1005578019.db2.gz VPIIFODGWFDMEV-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)c2)CC1 ZINC000504254131 1005583114 /nfs/dbraw/zinc/58/31/14/1005583114.db2.gz KXKGDVHJHKMPPI-UHFFFAOYSA-N 2 0 423.605 3.587 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000531078895 1005981623 /nfs/dbraw/zinc/98/16/23/1005981623.db2.gz HYHFAHZJNUGYLU-FQEVSTJZSA-N 2 0 406.958 3.618 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000514509470 1006012619 /nfs/dbraw/zinc/01/26/19/1006012619.db2.gz BMPIIZCGQUHJKP-DEOSSOPVSA-N 2 0 423.605 3.951 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534058097 1006029905 /nfs/dbraw/zinc/02/99/05/1006029905.db2.gz OLDPFHBYEBVVDX-RTBURBONSA-N 2 0 414.819 3.951 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccsc1 ZINC000531204795 1006045279 /nfs/dbraw/zinc/04/52/79/1006045279.db2.gz CUZNZHKKWBJKOB-OAQYLSRUSA-N 2 0 400.592 3.867 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000531204664 1006045595 /nfs/dbraw/zinc/04/55/95/1006045595.db2.gz IFPRMYOGUQMXET-UHFFFAOYSA-N 2 0 408.590 3.629 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000531357930 1006146367 /nfs/dbraw/zinc/14/63/67/1006146367.db2.gz RXMJZFAUQMOLFL-UHFFFAOYSA-N 2 0 415.390 3.682 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181437 1006169023 /nfs/dbraw/zinc/16/90/23/1006169023.db2.gz FOWCWPQJODMGAN-DQEYMECFSA-N 2 0 423.601 3.531 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249074 1006255860 /nfs/dbraw/zinc/25/58/60/1006255860.db2.gz AKYFSYOBDOIPSI-BBTUJRGHSA-N 2 0 424.992 3.988 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252794 1006261825 /nfs/dbraw/zinc/26/18/25/1006261825.db2.gz WXIITULMASAQNE-TWFHAPMSSA-N 2 0 422.976 3.740 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540447 1006264554 /nfs/dbraw/zinc/26/45/54/1006264554.db2.gz OWPINEHBTHELJX-GHTZIAJQSA-N 2 0 407.002 3.754 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cccc(Cn2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000531597348 1006295738 /nfs/dbraw/zinc/29/57/38/1006295738.db2.gz FJSHVCOQSHWPPY-UHFFFAOYSA-N 2 0 403.574 3.752 20 0 HHADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000531699558 1006363124 /nfs/dbraw/zinc/36/31/24/1006363124.db2.gz XJIDYEPNFFDKBK-UHFFFAOYSA-N 2 0 415.965 3.675 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000531721400 1006378390 /nfs/dbraw/zinc/37/83/90/1006378390.db2.gz HXRAGVRWCOWVCK-WATLYSKOSA-N 2 0 411.590 3.567 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC000515290956 1006379955 /nfs/dbraw/zinc/37/99/55/1006379955.db2.gz NRPUBDWALDTWHM-FGZHOGPDSA-N 2 0 400.542 3.593 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000531785317 1006425909 /nfs/dbraw/zinc/42/59/09/1006425909.db2.gz ANJRODMEOJHRQP-UHFFFAOYSA-N 2 0 422.617 3.990 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531860047 1006480885 /nfs/dbraw/zinc/48/08/85/1006480885.db2.gz JNIDBEMXGJSMIM-ZZYHAFTGSA-N 2 0 420.601 3.879 20 0 HHADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531931946 1006528450 /nfs/dbraw/zinc/52/84/50/1006528450.db2.gz WBKYBMQOMSSGFK-QFBILLFUSA-N 2 0 421.010 3.697 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1)C1CCOCC1 ZINC000531958606 1006546467 /nfs/dbraw/zinc/54/64/67/1006546467.db2.gz PMSABMQOEUXCML-UHFFFAOYSA-N 2 0 423.601 3.935 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cccc(Cn2cccn2)c1)C1CC[NH+](C)CC1 ZINC000532107958 1006641953 /nfs/dbraw/zinc/64/19/53/1006641953.db2.gz WHFFMNCONWEJBW-UHFFFAOYSA-N 2 0 403.574 3.752 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756234 1006645296 /nfs/dbraw/zinc/64/52/96/1006645296.db2.gz SGZKBQGKWFQNRF-UXHICEINSA-N 2 0 411.565 3.895 20 0 HHADRP COc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388799 1006658394 /nfs/dbraw/zinc/65/83/94/1006658394.db2.gz CHZPQQKFNQBLDH-UQBPGWFLSA-N 2 0 421.585 3.905 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000515790544 1006673213 /nfs/dbraw/zinc/67/32/13/1006673213.db2.gz LNZFKJFHAXBNRS-XZOQPEGZSA-N 2 0 412.553 3.565 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000515790540 1006673447 /nfs/dbraw/zinc/67/34/47/1006673447.db2.gz LNZFKJFHAXBNRS-GOTSBHOMSA-N 2 0 412.553 3.565 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000532155462 1006679698 /nfs/dbraw/zinc/67/96/98/1006679698.db2.gz WPDMEPQUBKIIMO-SLFFLAALSA-N 2 0 419.585 3.556 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000515838658 1006711299 /nfs/dbraw/zinc/71/12/99/1006711299.db2.gz JFNKITNZSDHHCD-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193459 1006711880 /nfs/dbraw/zinc/71/18/80/1006711880.db2.gz VGNSUIZLHIHADH-XLGIIRLISA-N 3 0 406.618 3.827 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000532197643 1006713629 /nfs/dbraw/zinc/71/36/29/1006713629.db2.gz UXBDCTQMTKKCME-UNMCSNQZSA-N 2 0 412.553 3.797 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201048 1006716891 /nfs/dbraw/zinc/71/68/91/1006716891.db2.gz BCQRBXDVKKJZHE-CEXWTWQISA-N 2 0 416.587 3.550 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000515850084 1006716982 /nfs/dbraw/zinc/71/69/82/1006716982.db2.gz XNOVQZIEGLHHAG-HSZRJFAPSA-N 2 0 412.553 3.736 20 0 HHADRP CC(=O)Nc1ccccc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000538454614 1006723411 /nfs/dbraw/zinc/72/34/11/1006723411.db2.gz GXOKDOJQKGVBCA-BGYRXZFFSA-N 2 0 409.574 3.944 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546760 1006809791 /nfs/dbraw/zinc/80/97/91/1006809791.db2.gz QGMDJYQVNZDZMB-PXDATVDWSA-N 2 0 407.606 3.935 20 0 HHADRP Cc1c(Br)cccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000534869492 1006895897 /nfs/dbraw/zinc/89/58/97/1006895897.db2.gz NIAUOQSBGAGSGZ-UHFFFAOYSA-N 2 0 424.427 3.674 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532455025 1006897207 /nfs/dbraw/zinc/89/72/07/1006897207.db2.gz TYSIKUVLFITWMJ-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959559 1007005406 /nfs/dbraw/zinc/00/54/06/1007005406.db2.gz BIKPXUWCUILYMZ-HGHGUNKESA-N 2 0 424.992 3.892 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534986269 1007044383 /nfs/dbraw/zinc/04/43/83/1007044383.db2.gz GWVDAQOGOBILMK-LQWHRVPQSA-N 2 0 422.976 3.742 20 0 HHADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000538764077 1007048154 /nfs/dbraw/zinc/04/81/54/1007048154.db2.gz LEPRANWIQMZQFN-JOCHJYFZSA-N 2 0 403.611 3.865 20 0 HHADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCc1ccccc1 ZINC000538763008 1007048721 /nfs/dbraw/zinc/04/87/21/1007048721.db2.gz XWAQOWVWCURWHL-DEOSSOPVSA-N 2 0 423.601 3.875 20 0 HHADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000538764078 1007049027 /nfs/dbraw/zinc/04/90/27/1007049027.db2.gz LEPRANWIQMZQFN-QFIPXVFZSA-N 2 0 403.611 3.865 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949413 1007236950 /nfs/dbraw/zinc/23/69/50/1007236950.db2.gz NRTZKEJCWCAXTD-SFHVURJKSA-N 2 0 403.636 3.855 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538951378 1007239215 /nfs/dbraw/zinc/23/92/15/1007239215.db2.gz RJLDQPBWRVRHOK-UHFFFAOYSA-N 2 0 403.636 3.857 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000532949596 1007319939 /nfs/dbraw/zinc/31/99/39/1007319939.db2.gz INZJDRGSKOVSJM-UHFFFAOYSA-N 2 0 423.601 3.934 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986594 1007357059 /nfs/dbraw/zinc/35/70/59/1007357059.db2.gz FYULQXUKZDEANX-QNWVGRARSA-N 2 0 422.617 3.506 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000532986616 1007357829 /nfs/dbraw/zinc/35/78/29/1007357829.db2.gz KLRKRONVWXDQPW-DEOSSOPVSA-N 2 0 406.574 3.539 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1OC(F)F ZINC000539070313 1007362548 /nfs/dbraw/zinc/36/25/48/1007362548.db2.gz FCSWYBVCFZKEFZ-AWEZNQCLSA-N 2 0 409.452 3.569 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000539073638 1007365043 /nfs/dbraw/zinc/36/50/43/1007365043.db2.gz VKKIZXNDZBGONS-IBGZPJMESA-N 2 0 423.557 3.524 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535341898 1007395718 /nfs/dbraw/zinc/39/57/18/1007395718.db2.gz XMJFVLMSQSXGQZ-ZEQRLZLVSA-N 2 0 424.589 3.652 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000517144813 1007459007 /nfs/dbraw/zinc/45/90/07/1007459007.db2.gz PPUQHBXFZAORMX-UHFFFAOYSA-N 2 0 414.516 3.653 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149390 1007462515 /nfs/dbraw/zinc/46/25/15/1007462515.db2.gz RTPVCVAFJIAXOE-HXUWFJFHSA-N 2 0 400.592 3.657 20 0 HHADRP CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153965 1007492843 /nfs/dbraw/zinc/49/28/43/1007492843.db2.gz QMDRRGRFVIRUPN-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)CC2)c1 ZINC000517215766 1007510696 /nfs/dbraw/zinc/51/06/96/1007510696.db2.gz OWVSPGYLGXLWQE-PKTZIBPZSA-N 2 0 409.622 3.947 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000535508659 1007564057 /nfs/dbraw/zinc/56/40/57/1007564057.db2.gz RRBKQBQDPXOMSR-RDTXWAMCSA-N 2 0 401.776 3.916 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533282350 1007595763 /nfs/dbraw/zinc/59/57/63/1007595763.db2.gz MRLFHVVBEYGLFV-NRFANRHFSA-N 2 0 422.573 3.519 20 0 HHADRP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000533292361 1007606701 /nfs/dbraw/zinc/60/67/01/1007606701.db2.gz HGZJXEJTAIOOHD-SFHVURJKSA-N 2 0 422.013 3.592 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000539310761 1007609086 /nfs/dbraw/zinc/60/90/86/1007609086.db2.gz KVODBEUJCKOWLB-YSTOQKLRSA-N 2 0 418.601 3.511 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462796 1007687079 /nfs/dbraw/zinc/68/70/79/1007687079.db2.gz RGWYIFWCOJKEGX-QFBILLFUSA-N 2 0 414.516 3.729 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681872 1007711428 /nfs/dbraw/zinc/71/14/28/1007711428.db2.gz QQXHCOWQQBSWDV-UTKZUKDTSA-N 2 0 424.992 3.892 20 0 HHADRP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683956 1007714611 /nfs/dbraw/zinc/71/46/11/1007714611.db2.gz OCGVLQRKQUUVMU-FXAWDEMLSA-N 2 0 410.965 3.503 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517490490 1007714965 /nfs/dbraw/zinc/71/49/65/1007714965.db2.gz INKYDFJPDJPJEY-QFIPXVFZSA-N 2 0 404.574 3.744 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+]2CCCC2)cc1 ZINC000535684423 1007715431 /nfs/dbraw/zinc/71/54/31/1007715431.db2.gz ZZFHFRPHDURIDX-QHCPKHFHSA-N 2 0 412.553 3.832 20 0 HHADRP C[N@H+](CCNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744267 /nfs/dbraw/zinc/74/42/67/1007744267.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 2 0 420.601 3.816 20 0 HHADRP Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000533448351 1007764914 /nfs/dbraw/zinc/76/49/14/1007764914.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 2 0 404.558 3.953 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000535802480 1007809471 /nfs/dbraw/zinc/80/94/71/1007809471.db2.gz FAISUEWELBLKJE-FQEVSTJZSA-N 2 0 404.986 3.747 20 0 HHADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000539498515 1007810392 /nfs/dbraw/zinc/81/03/92/1007810392.db2.gz KILHDQXEKOXGEF-RBUKOAKNSA-N 2 0 400.380 3.901 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593037 1007890992 /nfs/dbraw/zinc/89/09/92/1007890992.db2.gz RRLFXDMSBFLVMJ-DHIUTWEWSA-N 2 0 412.622 3.805 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593038 1007891530 /nfs/dbraw/zinc/89/15/30/1007891530.db2.gz RRLFXDMSBFLVMJ-GOTSBHOMSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615476 1007930732 /nfs/dbraw/zinc/93/07/32/1007930732.db2.gz FUNGEHBLXXUMOQ-RTWAWAEBSA-N 2 0 422.976 3.929 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731803 1007937280 /nfs/dbraw/zinc/93/72/80/1007937280.db2.gz VQDAWEYIWAWVJH-TZIWHRDSSA-N 2 0 410.562 3.721 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628814 1007945882 /nfs/dbraw/zinc/94/58/82/1007945882.db2.gz VSSQWIGXXVRTOT-RLWLMLJZSA-N 2 0 419.617 3.936 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)C2)CC1 ZINC000535935016 1007963605 /nfs/dbraw/zinc/96/36/05/1007963605.db2.gz GPPXWEFGOPPFLW-QKNQBKEWSA-N 2 0 404.624 3.504 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)C2)CC1 ZINC000533772581 1008098065 /nfs/dbraw/zinc/09/80/65/1008098065.db2.gz UYSMRTMWNDDMCE-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518064979 1008139877 /nfs/dbraw/zinc/13/98/77/1008139877.db2.gz SZDLKNYFTHCJII-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094723 1008156118 /nfs/dbraw/zinc/15/61/18/1008156118.db2.gz UYLITJKGQZHJQZ-JTHBVZDNSA-N 2 0 416.610 3.738 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000539906075 1008176729 /nfs/dbraw/zinc/17/67/29/1008176729.db2.gz ATFRZQGDROHVNZ-AREMUKBSSA-N 2 0 421.585 3.537 20 0 HHADRP COC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000518264054 1008232816 /nfs/dbraw/zinc/23/28/16/1008232816.db2.gz FNKCMMIKONKGCX-JOCHJYFZSA-N 2 0 415.965 3.643 20 0 HHADRP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000540017381 1008239821 /nfs/dbraw/zinc/23/98/21/1008239821.db2.gz YSLJYQXBZBQXSK-WOJBJXKFSA-N 2 0 401.599 3.592 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045477 1008254529 /nfs/dbraw/zinc/25/45/29/1008254529.db2.gz PAOPDFVUXPZNSB-WOJBJXKFSA-N 2 0 406.574 3.986 20 0 HHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540168949 1008320317 /nfs/dbraw/zinc/32/03/17/1008320317.db2.gz IPZCATPWEKRZOH-IBGZPJMESA-N 2 0 412.603 3.698 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540172245 1008321671 /nfs/dbraw/zinc/32/16/71/1008321671.db2.gz VTYSJLLPQXYXPJ-INIZCTEOSA-N 2 0 423.586 3.656 20 0 HHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000540172726 1008322142 /nfs/dbraw/zinc/32/21/42/1008322142.db2.gz UMHYAPWPOWZWIK-BZUAXINKSA-N 2 0 401.364 3.998 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000540184254 1008326663 /nfs/dbraw/zinc/32/66/63/1008326663.db2.gz YMGGGYFWSLLJKZ-CVDCTZTESA-N 2 0 402.579 3.804 20 0 HHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573421 1008351307 /nfs/dbraw/zinc/35/13/07/1008351307.db2.gz POLVOUQPXFGGGG-GMAHTHKFSA-N 2 0 421.585 3.922 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573419 1008351325 /nfs/dbraw/zinc/35/13/25/1008351325.db2.gz POLVOUQPXFGGGG-FYYLOGMGSA-N 2 0 421.585 3.922 20 0 HHADRP CCC[NH+]1CCC([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000540358986 1008398319 /nfs/dbraw/zinc/39/83/19/1008398319.db2.gz FPAIICBFVOFDEJ-UHFFFAOYSA-N 2 0 411.546 3.790 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(c4ccccn4)CC3)cc2)C[C@@H]1C ZINC000540394833 1008415029 /nfs/dbraw/zinc/41/50/29/1008415029.db2.gz ABPAMISPWSFWQA-VXKWHMMOSA-N 2 0 422.617 3.849 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000518761314 1008416102 /nfs/dbraw/zinc/41/61/02/1008416102.db2.gz KRJXIXDHVIKLBT-UHFFFAOYSA-N 2 0 403.574 3.657 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000540406326 1008419541 /nfs/dbraw/zinc/41/95/41/1008419541.db2.gz PMNYKUPZLKYQGW-HSZRJFAPSA-N 2 0 403.517 3.580 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000518798202 1008423775 /nfs/dbraw/zinc/42/37/75/1008423775.db2.gz RDPCNRCFWGXPEF-QFIPXVFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000540508033 1008460460 /nfs/dbraw/zinc/46/04/60/1008460460.db2.gz XGXVGSDMQCZHES-GCJKJVERSA-N 2 0 403.530 3.906 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518927342 1008475840 /nfs/dbraw/zinc/47/58/40/1008475840.db2.gz IJYQGVPOQDOTMG-FQEVSTJZSA-N 2 0 409.574 3.909 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000545459079 1008570492 /nfs/dbraw/zinc/57/04/92/1008570492.db2.gz DZVNBFIJRQOTLN-UHFFFAOYSA-N 2 0 422.411 3.828 20 0 HHADRP C[N@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCSC1 ZINC000549028379 1008597510 /nfs/dbraw/zinc/59/75/10/1008597510.db2.gz FJEXCQLDTRHHMY-BVJITPLVSA-N 2 0 422.038 3.807 20 0 HHADRP C[C@@H](CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC1 ZINC000519205179 1008610284 /nfs/dbraw/zinc/61/02/84/1008610284.db2.gz SLVCLFGJRUYXBZ-HNNXBMFYSA-N 2 0 415.409 3.939 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000549080750 1008644405 /nfs/dbraw/zinc/64/44/05/1008644405.db2.gz FGOIMASUDZMWLB-UXHICEINSA-N 2 0 406.933 3.684 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543069142 1008646508 /nfs/dbraw/zinc/64/65/08/1008646508.db2.gz IUHVKSMPWXFBGB-CEXWTWQISA-N 2 0 414.594 3.710 20 0 HHADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000545593075 1008692695 /nfs/dbraw/zinc/69/26/95/1008692695.db2.gz GYINRRGNTSAKEX-XMSQKQJNSA-N 2 0 400.538 3.759 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000519295133 1008706808 /nfs/dbraw/zinc/70/68/08/1008706808.db2.gz HUECXDJZICKDTD-DEOSSOPVSA-N 2 0 408.590 3.604 20 0 HHADRP C[NH+](C)CC1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000549205215 1008776910 /nfs/dbraw/zinc/77/69/10/1008776910.db2.gz UKPLJRHILVMPRT-LOSJGSFVSA-N 2 0 420.601 3.638 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000545913348 1008993539 /nfs/dbraw/zinc/99/35/39/1008993539.db2.gz GXDBGENBDDPKJE-UHFFFAOYSA-N 2 0 401.595 3.570 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000520203069 1009339247 /nfs/dbraw/zinc/33/92/47/1009339247.db2.gz FDHBULQSNGJMTQ-UHFFFAOYSA-N 2 0 409.574 3.818 20 0 HHADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000549751021 1009369507 /nfs/dbraw/zinc/36/95/07/1009369507.db2.gz RLBIMUYSWIPOAC-SIKLNZKXSA-N 2 0 402.579 3.635 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000520298832 1009423404 /nfs/dbraw/zinc/42/34/04/1009423404.db2.gz NRTAWZLBVOOYAT-DEOSSOPVSA-N 2 0 408.590 3.905 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000549839854 1009453200 /nfs/dbraw/zinc/45/32/00/1009453200.db2.gz ALWSAEWCOVFYQA-CYXNTTPDSA-N 2 0 408.586 3.880 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000520326459 1009458337 /nfs/dbraw/zinc/45/83/37/1009458337.db2.gz AWUYIVCTFGSTJU-HXUWFJFHSA-N 2 0 400.592 3.521 20 0 HHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867945 1009488285 /nfs/dbraw/zinc/48/82/85/1009488285.db2.gz JFBPICAYHPPYCC-ZCNNSNEGSA-N 2 0 412.496 3.615 20 0 HHADRP Cc1cc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc2c(Br)c1 ZINC000543936391 1009528396 /nfs/dbraw/zinc/52/83/96/1009528396.db2.gz RUUXOAOTXHGDPM-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000543993219 1009592044 /nfs/dbraw/zinc/59/20/44/1009592044.db2.gz WGSBURPUYUVNPJ-XKQJLSEDSA-N 2 0 409.596 3.721 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000546619132 1009632172 /nfs/dbraw/zinc/63/21/72/1009632172.db2.gz IJLMDCGNTIESMK-OYRHEFFESA-N 2 0 415.622 3.672 20 0 HHADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000544041174 1009643797 /nfs/dbraw/zinc/64/37/97/1009643797.db2.gz ABTQMTCBPTUKFF-YUXAGFNASA-N 2 0 414.594 3.551 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578645 1009658851 /nfs/dbraw/zinc/65/88/51/1009658851.db2.gz VUOCDASTXJTOET-JTHBVZDNSA-N 2 0 400.611 3.879 20 0 HHADRP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544072043 1009676334 /nfs/dbraw/zinc/67/63/34/1009676334.db2.gz PSBDUGNPZZDJKW-WSTZPKSXSA-N 2 0 411.384 3.574 20 0 HHADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+]1CCCCC1 ZINC000520709433 1009776911 /nfs/dbraw/zinc/77/69/11/1009776911.db2.gz OBEPCCWWUDSNOO-LJQANCHMSA-N 2 0 421.029 3.973 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000544332652 1009956087 /nfs/dbraw/zinc/95/60/87/1009956087.db2.gz UUWNGOANWNGUPG-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CC1 ZINC000544595521 1010221880 /nfs/dbraw/zinc/22/18/80/1010221880.db2.gz ZNJFOOFQYHDZTC-UHFFFAOYSA-N 2 0 401.986 3.580 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000551008409 1010313564 /nfs/dbraw/zinc/31/35/64/1010313564.db2.gz LFIZHEIOJNDVAC-MGAZVUHYSA-N 2 0 406.636 3.858 20 0 HHADRP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827901 1010441377 /nfs/dbraw/zinc/44/13/77/1010441377.db2.gz YQXUEGXPHCBEMB-GGAORHGYSA-N 2 0 420.601 3.590 20 0 HHADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000544865984 1010447605 /nfs/dbraw/zinc/44/76/05/1010447605.db2.gz VZUDOZWXJSIKSX-KRWDZBQOSA-N 2 0 422.411 3.684 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521688932 1010552583 /nfs/dbraw/zinc/55/25/83/1010552583.db2.gz KQJKOVPAGKRGOK-NRFANRHFSA-N 2 0 410.553 3.549 20 0 HHADRP COc1ccc(C[C@@H](C)C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011152 1010554797 /nfs/dbraw/zinc/55/47/97/1010554797.db2.gz PGPLMGGNOTVWKV-OAQYLSRUSA-N 2 0 413.581 3.763 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000521819295 1010639885 /nfs/dbraw/zinc/63/98/85/1010639885.db2.gz YSIZYACUKSKTNJ-AREMUKBSSA-N 2 0 417.601 3.958 20 0 HHADRP C[NH+]1CCN(Cc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000548505401 1010648868 /nfs/dbraw/zinc/64/88/68/1010648868.db2.gz QRTCBLXRGOBOTR-UHFFFAOYSA-N 2 0 420.601 3.675 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC3 ZINC000545192020 1010679024 /nfs/dbraw/zinc/67/90/24/1010679024.db2.gz VAXFUJWEOSISOW-RTWAWAEBSA-N 2 0 419.569 3.780 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000521959589 1010737784 /nfs/dbraw/zinc/73/77/84/1010737784.db2.gz JPCAAXBMRYIMCG-FQEVSTJZSA-N 2 0 401.599 3.605 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000521992332 1010753115 /nfs/dbraw/zinc/75/31/15/1010753115.db2.gz XFKOYCRYQGHAOW-UHFFFAOYSA-N 2 0 400.592 3.521 20 0 HHADRP CC[C@@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000545402458 1010774787 /nfs/dbraw/zinc/77/47/87/1010774787.db2.gz FHUYOVWYPKUGBG-HSZRJFAPSA-N 2 0 406.574 3.729 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088613 1010802130 /nfs/dbraw/zinc/80/21/30/1010802130.db2.gz RQAKVUOBNUXRDY-NQIIRXRSSA-N 2 0 400.592 3.562 20 0 HHADRP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848631 /nfs/dbraw/zinc/84/86/31/1010848631.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 2 0 420.601 3.978 20 0 HHADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000536157330 1011282118 /nfs/dbraw/zinc/28/21/18/1011282118.db2.gz GPBOUYSGNBCKSC-GHTZIAJQSA-N 2 0 416.635 3.670 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286045 /nfs/dbraw/zinc/28/60/45/1011286045.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 2 0 418.585 3.927 20 0 HHADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000522848689 1011289032 /nfs/dbraw/zinc/28/90/32/1011289032.db2.gz NHAJSTKTODCAQZ-NRFANRHFSA-N 2 0 419.997 3.628 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000540651415 1011303845 /nfs/dbraw/zinc/30/38/45/1011303845.db2.gz AETJDRQSMKANFF-PMACEKPBSA-N 2 0 423.532 3.974 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536192732 1011333035 /nfs/dbraw/zinc/33/30/35/1011333035.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 2 0 406.574 3.595 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)c(C)c2c1 ZINC000540789811 1011450541 /nfs/dbraw/zinc/45/05/41/1011450541.db2.gz VWFCSPKYRJFICL-AVRDEDQJSA-N 2 0 423.557 3.690 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000536302929 1011492080 /nfs/dbraw/zinc/49/20/80/1011492080.db2.gz UXRIHINUHGZGLK-MOPGFXCFSA-N 2 0 414.819 3.951 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000523130553 1011600248 /nfs/dbraw/zinc/60/02/48/1011600248.db2.gz GDPPRTVYPAHJMB-NJYVYQBISA-N 2 0 400.611 3.694 20 0 HHADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032913 1011667348 /nfs/dbraw/zinc/66/73/48/1011667348.db2.gz CVBGOLKZCACYAL-JTHBVZDNSA-N 2 0 416.610 3.929 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460390 1011680851 /nfs/dbraw/zinc/68/08/51/1011680851.db2.gz UKCABBKABKXALC-ZSZQSSIHSA-N 2 0 412.981 3.747 20 0 HHADRP COC(=O)COc1c(C)cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000536673599 1011831650 /nfs/dbraw/zinc/83/16/50/1011831650.db2.gz OZXBSBDEUDAUIU-QFIPXVFZSA-N 2 0 410.558 3.809 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694753 1011862306 /nfs/dbraw/zinc/86/23/06/1011862306.db2.gz VBYCDENJQZTWCS-DEOSSOPVSA-N 2 0 419.573 3.867 20 0 HHADRP COc1ccc(-c2nnc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000536713089 1011885357 /nfs/dbraw/zinc/88/53/57/1011885357.db2.gz FVKCJAXYWGFXQT-UHFFFAOYSA-N 2 0 407.518 3.879 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC2CCCCC2)c1 ZINC000523409606 1011889622 /nfs/dbraw/zinc/88/96/22/1011889622.db2.gz GHKAAYUWINVBAB-UHFFFAOYSA-N 2 0 422.573 3.735 20 0 HHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000541223602 1011897630 /nfs/dbraw/zinc/89/76/30/1011897630.db2.gz PYRUFJZLWJKAIS-KRWDZBQOSA-N 2 0 400.567 3.606 20 0 HHADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000541223603 1011897943 /nfs/dbraw/zinc/89/79/43/1011897943.db2.gz PYRUFJZLWJKAIS-QGZVFWFLSA-N 2 0 400.567 3.606 20 0 HHADRP COC(=O)COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541236605 1011913905 /nfs/dbraw/zinc/91/39/05/1011913905.db2.gz SABOKFRMRICWKC-UHFFFAOYSA-N 2 0 408.542 3.727 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445356 1011940078 /nfs/dbraw/zinc/94/00/78/1011940078.db2.gz GXWPMZSHZPIYDH-PZJWPPBQSA-N 2 0 410.562 3.892 20 0 HHADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000552065568 1012082340 /nfs/dbraw/zinc/08/23/40/1012082340.db2.gz FUMWDRWNXKIXKT-FDDCHVKYSA-N 2 0 412.574 3.690 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC000552067619 1012085807 /nfs/dbraw/zinc/08/58/07/1012085807.db2.gz RJMLLEZBXBUKLX-ICDZXHCJSA-N 2 0 420.601 3.699 20 0 HHADRP Cn1nccc1[C@H]1[C@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCCN1C ZINC000552089474 1012104774 /nfs/dbraw/zinc/10/47/74/1012104774.db2.gz LEBZMRFQUIEMAW-CRVIJBJFSA-N 2 0 409.622 3.836 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000536867110 1012104830 /nfs/dbraw/zinc/10/48/30/1012104830.db2.gz BPSWHGMSGAWXFC-QFBILLFUSA-N 2 0 406.958 3.659 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598681 1012161236 /nfs/dbraw/zinc/16/12/36/1012161236.db2.gz XEHIRUWEDPVJDX-MOPGFXCFSA-N 2 0 406.640 3.770 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)o1 ZINC000523645534 1012238500 /nfs/dbraw/zinc/23/85/00/1012238500.db2.gz WDBUGMPMYBKFKY-QFIPXVFZSA-N 2 0 410.562 3.820 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000523666380 1012261650 /nfs/dbraw/zinc/26/16/50/1012261650.db2.gz CGDKRFRRPVRICH-FQEVSTJZSA-N 2 0 400.611 3.840 20 0 HHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273453 1012286823 /nfs/dbraw/zinc/28/68/23/1012286823.db2.gz AZXSDAVOFXHAPT-QFIPXVFZSA-N 2 0 410.610 3.954 20 0 HHADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000541542393 1012327862 /nfs/dbraw/zinc/32/78/62/1012327862.db2.gz UWFCTFMKOHGVBC-ZJSXRUAMSA-N 2 0 413.631 3.932 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000552556875 1012569149 /nfs/dbraw/zinc/56/91/49/1012569149.db2.gz KKAXKRXWOQFVEH-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000552579022 1012584683 /nfs/dbraw/zinc/58/46/83/1012584683.db2.gz PNIVMQJYYBAWLK-XZOQPEGZSA-N 2 0 406.014 3.662 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000537192919 1012606335 /nfs/dbraw/zinc/60/63/35/1012606335.db2.gz GBJNSFVMFOZDMB-DEOSSOPVSA-N 3 0 423.601 3.747 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000523905349 1012619699 /nfs/dbraw/zinc/61/96/99/1012619699.db2.gz OOTKABPDPUYZPW-FJIJXJHWSA-N 2 0 415.626 3.588 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)CC1 ZINC000541761444 1012623452 /nfs/dbraw/zinc/62/34/52/1012623452.db2.gz WJHSRMWYAQRGLX-UHFFFAOYSA-N 2 0 417.491 3.616 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000541821438 1012707866 /nfs/dbraw/zinc/70/78/66/1012707866.db2.gz ZMTFXYJNNITPHP-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000552782618 1012788469 /nfs/dbraw/zinc/78/84/69/1012788469.db2.gz WPPSHPZBCQFHJC-QHCPKHFHSA-N 2 0 421.585 3.688 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000541961707 1012824409 /nfs/dbraw/zinc/82/44/09/1012824409.db2.gz CWWBXNPUHLDLEK-HSZRJFAPSA-N 2 0 416.610 3.929 20 0 HHADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000552905045 1012905480 /nfs/dbraw/zinc/90/54/80/1012905480.db2.gz KDNRCBXROKFJQT-UHFFFAOYSA-N 2 0 407.562 3.735 20 0 HHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000524139952 1012925929 /nfs/dbraw/zinc/92/59/29/1012925929.db2.gz HKMIPAQMOAPMKM-YYTDSSBASA-N 2 0 400.611 3.944 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000524190015 1012993896 /nfs/dbraw/zinc/99/38/96/1012993896.db2.gz KYCAHVMCRSHGNJ-FXAWDEMLSA-N 2 0 400.592 3.876 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000729683412 1071798476 /nfs/dbraw/zinc/79/84/76/1071798476.db2.gz NGYZJTZGKJYHEE-UHFFFAOYSA-N 2 0 410.393 3.605 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000569098057 1071987480 /nfs/dbraw/zinc/98/74/80/1071987480.db2.gz ODGYXIFDZNWFRM-RUZDIDTESA-N 2 0 420.601 3.842 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000611963299 1072176749 /nfs/dbraw/zinc/17/67/49/1072176749.db2.gz KZZTUTXDCRCKTQ-TZIWHRDSSA-N 2 0 423.557 3.692 20 0 HHADRP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001168304958 1072474743 /nfs/dbraw/zinc/47/47/43/1072474743.db2.gz CUZUECHKXXISGE-SSDNSZEISA-N 2 0 413.562 3.917 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001168329758 1072509735 /nfs/dbraw/zinc/50/97/35/1072509735.db2.gz HCLCGTBLVQYTNJ-UHFFFAOYSA-N 2 0 408.384 3.516 20 0 HHADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334715 1072512794 /nfs/dbraw/zinc/51/27/94/1072512794.db2.gz BOMVRBDWLNENFW-UHFFFAOYSA-N 2 0 420.981 3.962 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000479389688 1072802048 /nfs/dbraw/zinc/80/20/48/1072802048.db2.gz KOGINHXBTQYKRC-HDYDNRTBSA-N 2 0 407.624 3.645 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000554853306 1072902711 /nfs/dbraw/zinc/90/27/11/1072902711.db2.gz ADWLHWNTSPYGEY-HXUWFJFHSA-N 2 0 401.492 3.992 20 0 HHADRP CC[C@@H](C)C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000554890761 1072929052 /nfs/dbraw/zinc/92/90/52/1072929052.db2.gz WFCVMJIYRZPHMG-MRXNPFEDSA-N 2 0 400.380 3.684 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCOCC1)c1ccccc1 ZINC000555005936 1073053906 /nfs/dbraw/zinc/05/39/06/1073053906.db2.gz LIOUXMVKFXMCGG-OAQYLSRUSA-N 2 0 421.585 3.912 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCOCC1)c1ccccc1 ZINC000555005934 1073054088 /nfs/dbraw/zinc/05/40/88/1073054088.db2.gz LIOUXMVKFXMCGG-NRFANRHFSA-N 2 0 421.585 3.912 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000588708716 1073154807 /nfs/dbraw/zinc/15/48/07/1073154807.db2.gz CZDIXZCFNFMBOA-IAGOWNOFSA-N 2 0 404.580 3.552 20 0 HHADRP O=C(NC1CC1)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000590073402 1073511926 /nfs/dbraw/zinc/51/19/26/1073511926.db2.gz QBXDYZQMEZIKHJ-OAQYLSRUSA-N 2 0 401.551 3.709 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147089 1073589296 /nfs/dbraw/zinc/58/92/96/1073589296.db2.gz IDOSFGLLVUXYAA-FCHUYYIVSA-N 2 0 410.562 3.943 20 0 HHADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000555563972 1073632140 /nfs/dbraw/zinc/63/21/40/1073632140.db2.gz UKMMUCRMEUQMRT-UGKGYDQZSA-N 2 0 402.579 3.635 20 0 HHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C3(C2)CCOCC3)cc1 ZINC000555612280 1073674906 /nfs/dbraw/zinc/67/49/06/1073674906.db2.gz KNPQSTZWYILIJO-DEOSSOPVSA-N 2 0 420.601 3.700 20 0 HHADRP O=C(c1ccccc1Br)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366067 1073826981 /nfs/dbraw/zinc/82/69/81/1073826981.db2.gz JNSDRYXNNJAUCB-UHFFFAOYSA-N 2 0 420.395 3.518 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000573018169 1074061310 /nfs/dbraw/zinc/06/13/10/1074061310.db2.gz BVEFDWOVTYNIHF-UHFFFAOYSA-N 2 0 420.648 3.932 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H](C(F)(F)F)C1 ZINC001168366495 1074076257 /nfs/dbraw/zinc/07/62/57/1074076257.db2.gz UMEXCLSURGYCKV-IRXDYDNUSA-N 2 0 405.505 3.638 20 0 HHADRP CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760596542 1074145065 /nfs/dbraw/zinc/14/50/65/1074145065.db2.gz KURAVWFTTWXHTR-JOCHJYFZSA-N 2 0 421.589 3.567 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1OC ZINC000591506683 1074331383 /nfs/dbraw/zinc/33/13/83/1074331383.db2.gz JGCIDORLDDJIHG-HXUWFJFHSA-N 2 0 418.582 3.508 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000591617469 1074444126 /nfs/dbraw/zinc/44/41/26/1074444126.db2.gz VSGJXMDYSIEOAV-OAQYLSRUSA-N 2 0 408.590 3.787 20 0 HHADRP c1nn2ccccc2c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000591692709 1074492851 /nfs/dbraw/zinc/49/28/51/1074492851.db2.gz XBFVDEKUXAJDLG-UHFFFAOYSA-N 2 0 411.553 3.946 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000592487479 1074768531 /nfs/dbraw/zinc/76/85/31/1074768531.db2.gz RHZDGFRKNGRWID-VIZSFHNOSA-N 2 0 412.622 3.981 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000593500786 1075204780 /nfs/dbraw/zinc/20/47/80/1075204780.db2.gz USFOBPDIQDSNID-OAQYLSRUSA-N 2 0 402.514 3.581 20 0 HHADRP CSC1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[NH+](C)CC1 ZINC000574322434 1075220443 /nfs/dbraw/zinc/22/04/43/1075220443.db2.gz QRQRZHSLQZZWBT-UHFFFAOYSA-N 2 0 404.624 3.664 20 0 HHADRP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000593829939 1075229272 /nfs/dbraw/zinc/22/92/72/1075229272.db2.gz GDVRIJRWALGJFO-FPOVZHCZSA-N 2 0 409.496 3.528 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594119801 1075264679 /nfs/dbraw/zinc/26/46/79/1075264679.db2.gz UOLABHHDOJMFEQ-OAQYLSRUSA-N 2 0 419.013 3.822 20 0 HHADRP C[N@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000670017302 1075619146 /nfs/dbraw/zinc/61/91/46/1075619146.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 2 0 404.986 3.647 20 0 HHADRP Clc1ncc2c(c1N1CC[C@@H]3[NH2+]CC[C@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164410789 718875398 /nfs/dbraw/zinc/87/53/98/718875398.db2.gz HCUWFCJIOAOPAQ-LEWJYISDSA-N 2 0 424.976 3.697 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628444 719109978 /nfs/dbraw/zinc/10/99/78/719109978.db2.gz MVOXFYPACPWBOG-ZJSXRUAMSA-N 2 0 406.574 3.655 20 0 HHADRP Cc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c1C ZINC001164681012 719664816 /nfs/dbraw/zinc/66/48/16/719664816.db2.gz LEQXMHBMODTAMU-OAQYLSRUSA-N 2 0 420.601 3.792 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180815 /nfs/dbraw/zinc/18/08/15/721180815.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 2 0 421.589 3.503 20 0 HHADRP Cc1cccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777006 721329361 /nfs/dbraw/zinc/32/93/61/721329361.db2.gz JWCCRXIACVALTE-RDGATRHJSA-N 2 0 422.573 3.524 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165023257 721830618 /nfs/dbraw/zinc/83/06/18/721830618.db2.gz IKUTVQXIBBTPTN-TUACAJSNSA-N 2 0 405.590 3.809 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157152 971533311 /nfs/dbraw/zinc/53/33/11/971533311.db2.gz UMCQJPOYUSCSFC-IBGZPJMESA-N 2 0 400.592 3.607 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303166755 971538255 /nfs/dbraw/zinc/53/82/55/971538255.db2.gz FZYVTOHVIDGXCY-HSZRJFAPSA-N 2 0 400.611 3.936 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000524288466 1013095168 /nfs/dbraw/zinc/09/51/68/1013095168.db2.gz CPKQVHNSQPARRC-HSZRJFAPSA-N 2 0 400.611 3.975 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000303429239 971711387 /nfs/dbraw/zinc/71/13/87/971711387.db2.gz FHNVXFUDEGDMPA-WQYPUDFKSA-N 2 0 403.570 3.963 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303440193 971728960 /nfs/dbraw/zinc/72/89/60/971728960.db2.gz FOOSCUYVFPQFRT-CJIHJOFQSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303451306 971751439 /nfs/dbraw/zinc/75/14/39/971751439.db2.gz IQLHWWTUXUDITK-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303467189 971769883 /nfs/dbraw/zinc/76/98/83/971769883.db2.gz IDRRSYOHKZVLTG-OAQYLSRUSA-N 2 0 423.601 3.586 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC000303500085 971798587 /nfs/dbraw/zinc/79/85/87/971798587.db2.gz AIMMBHPIHFOEPK-UHFFFAOYSA-N 2 0 412.622 3.557 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000303550721 971848108 /nfs/dbraw/zinc/84/81/08/971848108.db2.gz JPHZEVCPIMRTGJ-IBGZPJMESA-N 2 0 414.594 3.584 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000303651612 971931230 /nfs/dbraw/zinc/93/12/30/971931230.db2.gz KOMXJPWYXBHNNH-NJDAHSKKSA-N 2 0 400.611 3.879 20 0 HHADRP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303735846 971989447 /nfs/dbraw/zinc/98/94/47/971989447.db2.gz GMJPQYDUSLGUKG-TYBLODHISA-N 2 0 405.586 3.945 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000007346181 961137646 /nfs/dbraw/zinc/13/76/46/961137646.db2.gz DNQBLGVEQKGTSS-UHFFFAOYSA-N 2 0 420.601 3.722 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553405260 1013332651 /nfs/dbraw/zinc/33/26/51/1013332651.db2.gz HJSQAQDLCXIOHT-HSZRJFAPSA-N 2 0 415.647 3.896 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542395495 1013348936 /nfs/dbraw/zinc/34/89/36/1013348936.db2.gz XVKXJCWWTPWYGC-DSNGMDLFSA-N 2 0 421.585 3.642 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000015404754 962750061 /nfs/dbraw/zinc/75/00/61/962750061.db2.gz NADGZBQIVRLZTD-DEOSSOPVSA-N 2 0 406.574 3.776 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1)CC1CC1 ZINC000537810306 1013372575 /nfs/dbraw/zinc/37/25/75/1013372575.db2.gz KGHRQLODIQAAEC-UHFFFAOYSA-N 2 0 400.611 3.792 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000537841433 1013402919 /nfs/dbraw/zinc/40/29/19/1013402919.db2.gz LLJXFXPDEMCWTQ-DEOSSOPVSA-N 2 0 406.574 3.814 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000553513603 1013413269 /nfs/dbraw/zinc/41/32/69/1013413269.db2.gz LIXLYYZKAJEYNK-SIKLNZKXSA-N 2 0 407.668 3.707 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000048712854 964035568 /nfs/dbraw/zinc/03/55/68/964035568.db2.gz FLAYPGSDQFGHRN-OAHLLOKOSA-N 2 0 410.393 3.603 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050137025 964274772 /nfs/dbraw/zinc/27/47/72/964274772.db2.gz XWMGAHYQMGNGIA-HXUWFJFHSA-N 2 0 400.592 3.521 20 0 HHADRP CCC1(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000553652691 1013523565 /nfs/dbraw/zinc/52/35/65/1013523565.db2.gz DGBLJIQUNXAYCQ-GMAHTHKFSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542592315 1013532405 /nfs/dbraw/zinc/53/24/05/1013532405.db2.gz PZJLGMSTGKUATF-FQEVSTJZSA-N 2 0 408.590 3.516 20 0 HHADRP COc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000028899416 965210889 /nfs/dbraw/zinc/21/08/89/965210889.db2.gz NUVCGQWORUAOLF-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561591 /nfs/dbraw/zinc/56/15/91/1013561591.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 2 0 401.639 3.796 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)c1 ZINC000029732239 965480390 /nfs/dbraw/zinc/48/03/90/965480390.db2.gz SKXPSPUJLAYORI-FQEVSTJZSA-N 2 0 404.599 3.687 20 0 HHADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513386 965712656 /nfs/dbraw/zinc/71/26/56/965712656.db2.gz NRQSARWMHFEDNP-NRFANRHFSA-N 2 0 422.617 3.792 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000030664445 965760954 /nfs/dbraw/zinc/76/09/54/965760954.db2.gz VJPIQIXRALOKOF-UHFFFAOYSA-N 2 0 417.601 3.714 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000030918938 965833204 /nfs/dbraw/zinc/83/32/04/965833204.db2.gz JSISIEBWHLCRHH-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP CCOc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1OC(F)F ZINC000542689490 1013608906 /nfs/dbraw/zinc/60/89/06/1013608906.db2.gz GQTPQEZBNDXFFX-UHFFFAOYSA-N 2 0 411.537 3.536 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000060798352 966293203 /nfs/dbraw/zinc/29/32/03/966293203.db2.gz PENBWDQGLRGMRG-NRFANRHFSA-N 2 0 406.640 3.770 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000061195833 966394217 /nfs/dbraw/zinc/39/42/17/966394217.db2.gz BBXZQSBQODFDGG-XMMPIXPASA-N 2 0 408.590 3.645 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791042 966555279 /nfs/dbraw/zinc/55/52/79/966555279.db2.gz QHGVYVZBISOJKS-MOPGFXCFSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000061792330 966556623 /nfs/dbraw/zinc/55/66/23/966556623.db2.gz ODRRMVVCACAERE-RTBURBONSA-N 2 0 404.624 3.520 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253034 966631953 /nfs/dbraw/zinc/63/19/53/966631953.db2.gz PCJHEHXABYOZDC-HOTGVXAUSA-N 2 0 408.949 3.952 20 0 HHADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528599 966698294 /nfs/dbraw/zinc/69/82/94/966698294.db2.gz KLLFNBNTYURJGZ-UHFFFAOYSA-N 2 0 414.638 3.847 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000063147009 966760937 /nfs/dbraw/zinc/76/09/37/966760937.db2.gz WANRWLPSKXBZOS-JOCHJYFZSA-N 2 0 404.668 3.872 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063331927 966823238 /nfs/dbraw/zinc/82/32/38/966823238.db2.gz XAQOZDSUMDQKAE-UHFFFAOYSA-N 2 0 400.611 3.981 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332155 966823716 /nfs/dbraw/zinc/82/37/16/966823716.db2.gz XVRBZQXSWVJNHM-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1cc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)c(C)c(C)c1C ZINC000063441714 966858550 /nfs/dbraw/zinc/85/85/50/966858550.db2.gz SGMGOUZJNKTDMH-UHFFFAOYSA-O 2 0 410.607 3.830 20 0 HHADRP Cc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441472 966858817 /nfs/dbraw/zinc/85/88/17/966858817.db2.gz GNOBEDVNYRMXIJ-UHFFFAOYSA-O 2 0 409.000 3.620 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000043167252 966922622 /nfs/dbraw/zinc/92/26/22/966922622.db2.gz BTXSKWZMOMJTSW-OAQYLSRUSA-N 2 0 402.583 3.714 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000064229714 967094760 /nfs/dbraw/zinc/09/47/60/967094760.db2.gz MCXZLBFPBNYFRI-UHFFFAOYSA-N 2 0 424.589 3.564 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000542848287 1013707508 /nfs/dbraw/zinc/70/75/08/1013707508.db2.gz WWOWGQWSIVPEPS-DVECYGJZSA-N 2 0 424.589 3.978 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000542847715 1013706793 /nfs/dbraw/zinc/70/67/93/1013706793.db2.gz XBZSZNDXYVWMBJ-DQEYMECFSA-N 2 0 402.542 3.507 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000045182024 967371074 /nfs/dbraw/zinc/37/10/74/967371074.db2.gz CYBPNCHVJFMZQR-UHFFFAOYSA-N 2 0 407.002 3.724 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553955489 1013721705 /nfs/dbraw/zinc/72/17/05/1013721705.db2.gz RNDBCWMPAWEDKL-VWLOTQADSA-N 2 0 410.606 3.701 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000065442235 967467912 /nfs/dbraw/zinc/46/79/12/967467912.db2.gz CEVJHXOYOVQGHM-OAQYLSRUSA-N 2 0 408.590 3.945 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000045987289 967621608 /nfs/dbraw/zinc/62/16/08/967621608.db2.gz YARNHWPJTYBJJK-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000538207459 1013761084 /nfs/dbraw/zinc/76/10/84/1013761084.db2.gz FJDAQJQXFSTLQW-MOPGFXCFSA-N 2 0 424.564 3.596 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211988 1013765217 /nfs/dbraw/zinc/76/52/17/1013765217.db2.gz PMAPUNSQBWIDOG-RBUKOAKNSA-N 2 0 422.552 3.960 20 0 HHADRP c1cc(C2([NH2+]CCCC[NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)cc2c1OCO2 ZINC000538228693 1013778399 /nfs/dbraw/zinc/77/83/99/1013778399.db2.gz ARGNJMZQKNMJRN-UHFFFAOYSA-N 2 0 408.498 3.782 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000542948438 1013780755 /nfs/dbraw/zinc/78/07/55/1013780755.db2.gz VYFNHRHIMUWCNM-QHCPKHFHSA-N 2 0 419.585 3.560 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000047935857 968370179 /nfs/dbraw/zinc/37/01/79/968370179.db2.gz XPLAELXDWIOGIW-JOCHJYFZSA-N 2 0 400.542 3.768 20 0 HHADRP C[NH+](C)CCCNC(=S)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000065704847 968601725 /nfs/dbraw/zinc/60/17/25/968601725.db2.gz HLAPRJJRTWGDOP-UHFFFAOYSA-N 2 0 417.450 3.717 20 0 HHADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274110 1013813371 /nfs/dbraw/zinc/81/33/71/1013813371.db2.gz HATSHOZZIOWRSW-JOCHJYFZSA-N 2 0 409.574 3.705 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCc1cnn(-c3ccccc3)c1)c1ccccc1O2 ZINC000538274628 1013813972 /nfs/dbraw/zinc/81/39/72/1013813972.db2.gz UNWNITDLYFYNOJ-QHCPKHFHSA-N 2 0 402.542 3.993 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699019 /nfs/dbraw/zinc/69/90/19/968699019.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 2 0 409.549 3.989 20 0 HHADRP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027244 968941074 /nfs/dbraw/zinc/94/10/74/968941074.db2.gz FSFAXUWLRUKWRH-RPWUZVMVSA-N 2 0 407.558 3.613 20 0 HHADRP COCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccccc1 ZINC000554208071 1013852410 /nfs/dbraw/zinc/85/24/10/1013852410.db2.gz AVFIXTGKTYGQLH-QFIPXVFZSA-N 2 0 423.601 3.785 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCC1 ZINC000108711174 969413632 /nfs/dbraw/zinc/41/36/32/969413632.db2.gz KYVOOTUGOATIPN-HSZRJFAPSA-N 2 0 407.558 3.858 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c(C)c2)CC1 ZINC000108966143 969441528 /nfs/dbraw/zinc/44/15/28/969441528.db2.gz PXRZDBVPCYCTRU-UHFFFAOYSA-N 2 0 406.574 3.985 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000109219832 969481047 /nfs/dbraw/zinc/48/10/47/969481047.db2.gz WPNLUGCMDDPWBN-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152495 969630771 /nfs/dbraw/zinc/63/07/71/969630771.db2.gz LXSOISMOVMSBSX-GHTZIAJQSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000110427929 969666591 /nfs/dbraw/zinc/66/65/91/969666591.db2.gz DEBOLQSABKLSAP-CALCHBBNSA-N 2 0 411.384 3.649 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000110991380 969755409 /nfs/dbraw/zinc/75/54/09/969755409.db2.gz KBIKHEQQTLYYAN-PMACEKPBSA-N 2 0 409.574 3.990 20 0 HHADRP COc1ccc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000195668043 969944181 /nfs/dbraw/zinc/94/41/81/969944181.db2.gz VKGIONKEOPYGRZ-AREMUKBSSA-N 2 0 421.585 3.779 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000195687791 969957775 /nfs/dbraw/zinc/95/77/75/969957775.db2.gz UMSZDLXHLPKESC-UHFFFAOYSA-N 2 0 417.601 3.787 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195720495 969980846 /nfs/dbraw/zinc/98/08/46/969980846.db2.gz YFQULKSMJKKNHF-DNQXCXABSA-N 2 0 424.589 3.743 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000139918292 970053691 /nfs/dbraw/zinc/05/36/91/970053691.db2.gz FNAAPUBTKQUTTQ-NRFANRHFSA-N 2 0 411.615 3.989 20 0 HHADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000236594200 970144083 /nfs/dbraw/zinc/14/40/83/970144083.db2.gz YASMJONYLUJHHL-WOJBJXKFSA-N 2 0 417.594 3.642 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237163739 970233596 /nfs/dbraw/zinc/23/35/96/970233596.db2.gz STKOWDNCXAOTFN-UHFFFAOYSA-N 2 0 418.029 3.565 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237166789 970234043 /nfs/dbraw/zinc/23/40/43/970234043.db2.gz QQRHGSYNJVIVDP-UHFFFAOYSA-N 2 0 410.393 3.603 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237170260 970235283 /nfs/dbraw/zinc/23/52/83/970235283.db2.gz METIDLPJVFVKIT-UHFFFAOYSA-N 2 0 403.574 3.655 20 0 HHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)o1 ZINC000237177686 970236838 /nfs/dbraw/zinc/23/68/38/970236838.db2.gz FHTJNLKTVHNQFG-UHFFFAOYSA-N 2 0 409.505 3.975 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1)C1CCOCC1 ZINC000237202634 970240282 /nfs/dbraw/zinc/24/02/82/970240282.db2.gz HGNVYUHRMAKKEZ-UHFFFAOYSA-N 2 0 404.938 3.825 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1)C1CCOCC1 ZINC000237206309 970241518 /nfs/dbraw/zinc/24/15/18/970241518.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 2 0 420.557 3.652 20 0 HHADRP COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000237209866 970242341 /nfs/dbraw/zinc/24/23/41/970242341.db2.gz VAPYMUIKKUREIF-NRFANRHFSA-N 2 0 417.619 3.697 20 0 HHADRP COc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237259981 970250200 /nfs/dbraw/zinc/25/02/00/970250200.db2.gz JKCZCSBLFNINRC-SFHVURJKSA-N 2 0 417.981 3.653 20 0 HHADRP C[C@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)CN1CC[NH+](C)CC1 ZINC000237597666 970320210 /nfs/dbraw/zinc/32/02/10/970320210.db2.gz LCJURHMBGPIAMM-OAHLLOKOSA-N 2 0 423.424 3.546 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H](C)O1 ZINC000237610989 970322283 /nfs/dbraw/zinc/32/22/83/970322283.db2.gz UUPLKQTWEOJHMT-IYBDPMFKSA-N 2 0 421.383 3.818 20 0 HHADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000554587372 1013984415 /nfs/dbraw/zinc/98/44/15/1013984415.db2.gz RHXHOVOPSCLQQD-JOCHJYFZSA-N 2 0 404.551 3.640 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000150179102 970432659 /nfs/dbraw/zinc/43/26/59/970432659.db2.gz VQMCDMWKLDMGNF-OAQYLSRUSA-N 2 0 400.592 3.562 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(-c3ccncc3)c2)cc1 ZINC000238076499 970435622 /nfs/dbraw/zinc/43/56/22/970435622.db2.gz RWMDJIFRUNVJBS-UHFFFAOYSA-N 2 0 414.553 3.864 20 0 HHADRP c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000250232912 970533844 /nfs/dbraw/zinc/53/38/44/970533844.db2.gz BTTKIYRCRIYDQX-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000252147097 970554862 /nfs/dbraw/zinc/55/48/62/970554862.db2.gz OBQNSAUFTJHWCC-QHAWAJNXSA-N 2 0 404.599 3.864 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303945 972780327 /nfs/dbraw/zinc/78/03/27/972780327.db2.gz BHEAXQRKRQPIAP-SCWSEQNSSA-N 2 0 403.364 3.983 20 0 HHADRP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035856 972860092 /nfs/dbraw/zinc/86/00/92/972860092.db2.gz UHEZLYWFADUYLW-SFHVURJKSA-N 2 0 404.352 3.707 20 0 HHADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000397552847 972871770 /nfs/dbraw/zinc/87/17/70/972871770.db2.gz ZSRPSGUQBUHOGC-UHFFFAOYSA-N 2 0 403.364 3.874 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397587032 972871898 /nfs/dbraw/zinc/87/18/98/972871898.db2.gz HUUDIFYQCWHVQN-SFHVURJKSA-N 2 0 417.391 3.997 20 0 HHADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409621039 973067384 /nfs/dbraw/zinc/06/73/84/973067384.db2.gz KQNBLBFQXXMOPZ-QGZVFWFLSA-N 2 0 420.479 3.532 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410305233 973843394 /nfs/dbraw/zinc/84/33/94/973843394.db2.gz HRKPUBIEUGRIQF-UHFFFAOYSA-N 2 0 420.601 3.789 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000410355771 973947145 /nfs/dbraw/zinc/94/71/45/973947145.db2.gz SSJJEQTWMNKAPB-FQEVSTJZSA-N 2 0 400.611 3.981 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000426142861 974262914 /nfs/dbraw/zinc/26/29/14/974262914.db2.gz WPDCFFGKZFDHLN-TZIWHRDSSA-N 2 0 402.583 3.888 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418140 974439584 /nfs/dbraw/zinc/43/95/84/974439584.db2.gz DYBSYCFJNPZNKB-FQEVSTJZSA-N 2 0 411.590 3.649 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCOCC1)c1ccccc1 ZINC000426432388 974446013 /nfs/dbraw/zinc/44/60/13/974446013.db2.gz XJEHKAMBBNNINL-HXUWFJFHSA-N 2 0 401.595 3.515 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426783858 974656619 /nfs/dbraw/zinc/65/66/19/974656619.db2.gz KSWNZXQMLLYEKM-KDURUIRLSA-N 2 0 422.013 3.558 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826477 974691039 /nfs/dbraw/zinc/69/10/39/974691039.db2.gz OVAIBEVAQZKBIL-OTWHNJEPSA-N 2 0 422.013 3.729 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826478 974691133 /nfs/dbraw/zinc/69/11/33/974691133.db2.gz OVAIBEVAQZKBIL-QRVBRYPASA-N 2 0 422.013 3.729 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000426826476 974691163 /nfs/dbraw/zinc/69/11/63/974691163.db2.gz OVAIBEVAQZKBIL-GUDVDZBRSA-N 2 0 422.013 3.729 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000428556417 975868728 /nfs/dbraw/zinc/86/87/28/975868728.db2.gz FUPLXLKOBGNQNX-NOZRDPDXSA-N 2 0 411.565 3.612 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428648647 975950191 /nfs/dbraw/zinc/95/01/91/975950191.db2.gz DBMVBCUPXKYYCY-FYYLOGMGSA-N 2 0 400.611 3.851 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428648651 975950268 /nfs/dbraw/zinc/95/02/68/975950268.db2.gz DBMVBCUPXKYYCY-GMAHTHKFSA-N 2 0 400.611 3.851 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596445 /nfs/dbraw/zinc/59/64/45/976596445.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 2 0 421.585 3.692 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746061 /nfs/dbraw/zinc/74/60/61/976746061.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 2 0 414.638 3.833 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494177 976751906 /nfs/dbraw/zinc/75/19/06/976751906.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 2 0 400.611 3.584 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508316 976763866 /nfs/dbraw/zinc/76/38/66/976763866.db2.gz MXEZSQNWEBBJJD-QHCPKHFHSA-N 2 0 414.638 3.833 20 0 HHADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000430154646 977352902 /nfs/dbraw/zinc/35/29/02/977352902.db2.gz XQHHNRYMXCOVRH-HNNXBMFYSA-N 2 0 403.398 3.969 20 0 HHADRP C[C@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000430236856 977410647 /nfs/dbraw/zinc/41/06/47/977410647.db2.gz CDAVKIDFLBTXOL-NIRIFSCTSA-N 2 0 412.622 3.993 20 0 HHADRP COc1ccccc1-c1ncc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000430242683 977414335 /nfs/dbraw/zinc/41/43/35/977414335.db2.gz SHCKZNGALKLHAV-PMACEKPBSA-N 2 0 424.589 3.864 20 0 HHADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430910881 977878005 /nfs/dbraw/zinc/87/80/05/977878005.db2.gz YWKPNUGQJSDEAR-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000430926989 977892232 /nfs/dbraw/zinc/89/22/32/977892232.db2.gz PWFRVRNCEYAYHY-UHFFFAOYSA-N 2 0 421.029 3.715 20 0 HHADRP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930706 977894493 /nfs/dbraw/zinc/89/44/93/977894493.db2.gz YDJHVHQYQXNOTI-LJQANCHMSA-N 2 0 411.594 3.926 20 0 HHADRP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430950407 977909370 /nfs/dbraw/zinc/90/93/70/977909370.db2.gz HRRZKZOGLXTBSP-QGZVFWFLSA-N 2 0 417.623 3.987 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430978963 977924873 /nfs/dbraw/zinc/92/48/73/977924873.db2.gz MIRSIKJZNCOZIC-HOJAQTOUSA-N 2 0 400.592 3.703 20 0 HHADRP C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431056864 977986193 /nfs/dbraw/zinc/98/61/93/977986193.db2.gz FPCDKRZROBBKJN-SIKLNZKXSA-N 2 0 410.562 3.802 20 0 HHADRP Cc1cc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431147009 978049155 /nfs/dbraw/zinc/04/91/55/978049155.db2.gz BMTVHFOLBWIMQI-JOCHJYFZSA-N 2 0 424.593 3.725 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000431652759 978412494 /nfs/dbraw/zinc/41/24/94/978412494.db2.gz WMKMOOMHGOLHGN-XUZZJYLKSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431675382 978428441 /nfs/dbraw/zinc/42/84/41/978428441.db2.gz IEJDTADNPOITAK-FGCOXFRFSA-N 2 0 408.590 3.512 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000431691681 978438710 /nfs/dbraw/zinc/43/87/10/978438710.db2.gz LRCVUEKGLXFFDU-SIKLNZKXSA-N 2 0 412.578 3.714 20 0 HHADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746196 978478116 /nfs/dbraw/zinc/47/81/16/978478116.db2.gz UFZGTMFQFQIJIV-DEOSSOPVSA-N 2 0 412.622 3.502 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000431853992 978553917 /nfs/dbraw/zinc/55/39/17/978553917.db2.gz MBZCBLZFNXCGTN-UHFFFAOYSA-N 2 0 412.622 3.947 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000432074807 978670240 /nfs/dbraw/zinc/67/02/40/978670240.db2.gz HQEKKQCPSCKBQU-QHCPKHFHSA-N 2 0 419.573 3.531 20 0 HHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000432347184 978770003 /nfs/dbraw/zinc/77/00/03/978770003.db2.gz OREISKGOHRIYDV-ZDUSSCGKSA-N 2 0 420.189 3.802 20 0 HHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432356607 978775499 /nfs/dbraw/zinc/77/54/99/978775499.db2.gz IOHOYWMCZDMVTK-FQEVSTJZSA-N 2 0 405.546 3.525 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000432426366 978807118 /nfs/dbraw/zinc/80/71/18/978807118.db2.gz ZNLPGRUHINFRFV-SBHAEUEKSA-N 2 0 408.558 3.925 20 0 HHADRP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432785808 978973979 /nfs/dbraw/zinc/97/39/79/978973979.db2.gz NAMKYOHPTAEDOS-PSWAGMNNSA-N 2 0 416.654 3.527 20 0 HHADRP C[C@@H](SCC[N@H+](C)Cc1ccccc1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018168 979043423 /nfs/dbraw/zinc/04/34/23/979043423.db2.gz FNKPVVHRHMMOJJ-OFNKIYASSA-N 2 0 411.615 3.631 20 0 HHADRP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433072880 979058396 /nfs/dbraw/zinc/05/83/96/979058396.db2.gz QKOUJSCLQPTNJQ-UHFFFAOYSA-N 2 0 409.549 3.772 20 0 HHADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118097 979081800 /nfs/dbraw/zinc/08/18/00/979081800.db2.gz VYJWFUSTSGYGRT-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172001 979116538 /nfs/dbraw/zinc/11/65/38/979116538.db2.gz CVBDTCNPWITEDC-OAQYLSRUSA-N 2 0 423.576 3.861 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000433387974 979269498 /nfs/dbraw/zinc/26/94/98/979269498.db2.gz SOQLKNYCQDXDEC-SJBKTWHCSA-N 2 0 421.601 3.698 20 0 HHADRP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092860 980633251 /nfs/dbraw/zinc/63/32/51/980633251.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 2 0 424.593 3.634 20 0 HHADRP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435284961 980759800 /nfs/dbraw/zinc/75/98/00/980759800.db2.gz MKLURFYXYUEWQZ-IRLDBZIGSA-N 2 0 409.578 3.842 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521262 980917142 /nfs/dbraw/zinc/91/71/42/980917142.db2.gz GJKPJZOGXPMARF-CEMLEFRQSA-N 2 0 424.593 3.585 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208246 981621527 /nfs/dbraw/zinc/62/15/27/981621527.db2.gz GDXOBFDAQTZPIW-MZYLBHOOSA-N 2 0 400.611 3.564 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437037247 981707465 /nfs/dbraw/zinc/70/74/65/981707465.db2.gz MCWWBHBSEYZGDU-QHCPKHFHSA-N 2 0 423.626 3.830 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448463332 981796235 /nfs/dbraw/zinc/79/62/35/981796235.db2.gz ARKKLMMSFHHDJF-DZFGPLHGSA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000448468207 981805915 /nfs/dbraw/zinc/80/59/15/981805915.db2.gz UQFIZKOPMBOCRY-SFHLNBCPSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000448472321 981812933 /nfs/dbraw/zinc/81/29/33/981812933.db2.gz HPDJXXLUOZVRRP-XMMPIXPASA-N 2 0 414.638 3.908 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519681 981846356 /nfs/dbraw/zinc/84/63/56/981846356.db2.gz FHYAJUZIZGWOMQ-RMEPHLEKSA-N 2 0 416.635 3.789 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448519928 981848043 /nfs/dbraw/zinc/84/80/43/981848043.db2.gz GRHRPPPGXFAHBV-BAIOZVBTSA-N 2 0 424.633 3.801 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H](C)C1 ZINC000448523546 981851837 /nfs/dbraw/zinc/85/18/37/981851837.db2.gz YYQAJGSROMINFS-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460319292 982097350 /nfs/dbraw/zinc/09/73/50/982097350.db2.gz NRWAHSAMDZCSLW-RPWUZVMVSA-N 2 0 412.622 3.806 20 0 HHADRP CSC1(CNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000460359536 982134332 /nfs/dbraw/zinc/13/43/32/982134332.db2.gz CAJBGYOKEJSELU-CTNGQTDRSA-N 2 0 420.667 3.879 20 0 HHADRP C[C@H](C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090121 982582358 /nfs/dbraw/zinc/58/23/58/982582358.db2.gz AOZSYAQGOFJBKM-HXUWFJFHSA-N 2 0 411.565 3.889 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000438117576 982596413 /nfs/dbraw/zinc/59/64/13/982596413.db2.gz OXAQTYOXVJBGME-GOSISDBHSA-N 2 0 404.599 3.540 20 0 HHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000438185808 982638980 /nfs/dbraw/zinc/63/89/80/982638980.db2.gz FEUIVFPTYBCZJR-GVUKDKGQSA-N 2 0 405.586 3.984 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987514 982709812 /nfs/dbraw/zinc/70/98/12/982709812.db2.gz AIHQFEXPNMJAMX-RTBURBONSA-N 2 0 400.394 3.829 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260175 982965921 /nfs/dbraw/zinc/96/59/21/982965921.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 2 0 411.512 3.774 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000438708732 983017996 /nfs/dbraw/zinc/01/79/96/983017996.db2.gz GHWGAIYBJRIKFP-UHFFFAOYSA-N 2 0 400.526 3.984 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439679 983103847 /nfs/dbraw/zinc/10/38/47/983103847.db2.gz TYWUIIKMPWAKHV-GOTSBHOMSA-N 2 0 412.537 3.841 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439678 983103989 /nfs/dbraw/zinc/10/39/89/983103989.db2.gz TYWUIIKMPWAKHV-DHIUTWEWSA-N 2 0 412.537 3.841 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000438971192 983186950 /nfs/dbraw/zinc/18/69/50/983186950.db2.gz XFEXPNNENLWNKJ-HXUWFJFHSA-N 2 0 423.605 3.948 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974874 983189395 /nfs/dbraw/zinc/18/93/95/983189395.db2.gz PQHPOOUCGKVHHK-HYBUGGRVSA-N 2 0 423.605 3.989 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000439083215 983242316 /nfs/dbraw/zinc/24/23/16/983242316.db2.gz GGNSQLMRSNNIFV-NTKDMRAZSA-N 2 0 424.589 3.683 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000439148052 983272872 /nfs/dbraw/zinc/27/28/72/983272872.db2.gz QGGYLHWPKHQGQR-QAPCUYQASA-N 2 0 400.430 3.823 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000439196611 983304844 /nfs/dbraw/zinc/30/48/44/983304844.db2.gz HAGXHEBADXFTSM-OAQYLSRUSA-N 2 0 421.589 3.525 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000440175743 983670349 /nfs/dbraw/zinc/67/03/49/983670349.db2.gz QDAWELMAPCIALX-QHCPKHFHSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440187065 983675100 /nfs/dbraw/zinc/67/51/00/983675100.db2.gz LKRIVDRUSKTLQV-FQEVSTJZSA-N 2 0 403.615 3.616 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194382 983678259 /nfs/dbraw/zinc/67/82/59/983678259.db2.gz YMFPHFIEHLBMOJ-DVECYGJZSA-N 2 0 423.605 3.772 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000440872497 983945308 /nfs/dbraw/zinc/94/53/08/983945308.db2.gz GYTNHZZDGONREQ-AOMIVXANSA-N 2 0 416.610 3.642 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249380 984137579 /nfs/dbraw/zinc/13/75/79/984137579.db2.gz YKXCWRHJEARMQR-JLSDUUJJSA-N 2 0 400.350 3.506 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000441375856 984217499 /nfs/dbraw/zinc/21/74/99/984217499.db2.gz JICWVWKHVMSXFU-QFBILLFUSA-N 2 0 424.511 3.548 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000441375851 984217567 /nfs/dbraw/zinc/21/75/67/984217567.db2.gz JICWVWKHVMSXFU-APWZRJJASA-N 2 0 424.511 3.548 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000461713633 984729627 /nfs/dbraw/zinc/72/96/27/984729627.db2.gz DWUGMNSNMRYJBP-OAQYLSRUSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874708 985254857 /nfs/dbraw/zinc/25/48/57/985254857.db2.gz NNUXQVOIJSBYLZ-KBXCAEBGSA-N 2 0 412.441 3.848 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000462544850 985492550 /nfs/dbraw/zinc/49/25/50/985492550.db2.gz BQBDBKXYBOLHDP-UHFFFAOYSA-N 2 0 422.392 3.626 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687608 985627459 /nfs/dbraw/zinc/62/74/59/985627459.db2.gz SDJGLGSSJNUORS-RDPSFJRHSA-N 2 0 406.574 3.602 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462736456 985680869 /nfs/dbraw/zinc/68/08/69/985680869.db2.gz DYYDCWUAOMDMKU-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000468074295 985732122 /nfs/dbraw/zinc/73/21/22/985732122.db2.gz QBTVNSHNTKXVSR-VWLOTQADSA-N 3 0 418.645 3.996 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(F)cc2)CC1 ZINC000462819084 985744926 /nfs/dbraw/zinc/74/49/26/985744926.db2.gz WOKPHDWAIXHSJX-OAQYLSRUSA-N 2 0 410.599 3.793 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(F)cc2)CC1 ZINC000462819098 985745069 /nfs/dbraw/zinc/74/50/69/985745069.db2.gz WQOYMAONSIPPAF-XMMPIXPASA-N 3 0 405.602 3.673 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824454 985748314 /nfs/dbraw/zinc/74/83/14/985748314.db2.gz YPXCXCLKIDAFAK-SIKLNZKXSA-N 2 0 410.599 3.793 20 0 HHADRP C[N@H+](CCNC(=O)C1CCN(c2cc[nH+]c3ccccc32)CC1)Cc1ccccc1 ZINC000462914708 985846465 /nfs/dbraw/zinc/84/64/65/985846465.db2.gz UXBOOYUPQWGTTJ-UHFFFAOYSA-N 2 0 402.542 3.699 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443846795 986049583 /nfs/dbraw/zinc/04/95/83/986049583.db2.gz WPZQPFZVVABCNR-WMZHIEFXSA-N 2 0 424.589 3.583 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000468430608 986128902 /nfs/dbraw/zinc/12/89/02/986128902.db2.gz RWIIGBZTVXVORJ-GMKZXUHWSA-N 2 0 409.549 3.949 20 0 HHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463245303 986212789 /nfs/dbraw/zinc/21/27/89/986212789.db2.gz RMBKTPRCBYYBGG-RUZDIDTESA-N 2 0 409.643 3.901 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000469309744 987022078 /nfs/dbraw/zinc/02/20/78/987022078.db2.gz ZLOVZUOFURIAGC-QAPCUYQASA-N 2 0 401.414 3.881 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000469425936 987114018 /nfs/dbraw/zinc/11/40/18/987114018.db2.gz IBWVYYQFANHGRT-PKTZIBPZSA-N 2 0 400.611 3.516 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000469794039 987437688 /nfs/dbraw/zinc/43/76/88/987437688.db2.gz LQUJZDXSVNEFCC-DNVCBOLYSA-N 2 0 417.363 3.694 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000470040323 987925340 /nfs/dbraw/zinc/92/53/40/987925340.db2.gz BOSRBZPAKSKHAB-FQEVSTJZSA-N 2 0 422.495 3.869 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189804 988107553 /nfs/dbraw/zinc/10/75/53/988107553.db2.gz YYJRYHDKKDOQEV-IEBWSBKVSA-N 2 0 412.500 3.624 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062955 988185423 /nfs/dbraw/zinc/18/54/23/988185423.db2.gz SKSKFGZXKVALQL-DNVJHFABSA-N 2 0 416.606 3.861 20 0 HHADRP C[NH+](C)CCc1ccccc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000470259840 988206007 /nfs/dbraw/zinc/20/60/07/988206007.db2.gz UMVWQYJBNPFLPW-UHFFFAOYSA-N 2 0 412.500 3.718 20 0 HHADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000470260771 988208067 /nfs/dbraw/zinc/20/80/67/988208067.db2.gz HOCMXIGIAHDKKH-GOSISDBHSA-N 2 0 400.538 3.759 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470286078 988242830 /nfs/dbraw/zinc/24/28/30/988242830.db2.gz BMKTTZBUOAKUPB-MOPGFXCFSA-N 2 0 412.500 3.578 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291956 988250795 /nfs/dbraw/zinc/25/07/95/988250795.db2.gz VOEOVHHNHWHYBT-OALUTQOASA-N 2 0 412.500 3.578 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497644 988490918 /nfs/dbraw/zinc/49/09/18/988490918.db2.gz QPCUCFIMCKMIIO-YKSBVNFPSA-N 2 0 423.605 3.867 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548603 988726275 /nfs/dbraw/zinc/72/62/75/988726275.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 2 0 411.512 3.631 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755991 988797295 /nfs/dbraw/zinc/79/72/95/988797295.db2.gz NPLDVYFCJCDDQO-WOJBJXKFSA-N 2 0 404.624 3.648 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900627 988975307 /nfs/dbraw/zinc/97/53/07/988975307.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 2 0 408.590 3.813 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982068 989046639 /nfs/dbraw/zinc/04/66/39/989046639.db2.gz JNHYMYRKAMUUDV-OAHLLOKOSA-N 2 0 412.347 3.581 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000464819409 989056856 /nfs/dbraw/zinc/05/68/56/989056856.db2.gz AZJGWQBUFJZTQE-SFTDATJTSA-N 2 0 400.611 3.838 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000471012347 989081750 /nfs/dbraw/zinc/08/17/50/989081750.db2.gz OVRMQBXVWALJMG-UHFFFAOYSA-N 2 0 422.573 3.744 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c(C)c2)CC1 ZINC000465056127 989380805 /nfs/dbraw/zinc/38/08/05/989380805.db2.gz FQSUPAFXLIEURF-IRLDBZIGSA-N 2 0 413.610 3.616 20 0 HHADRP COc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414478 989761428 /nfs/dbraw/zinc/76/14/28/989761428.db2.gz UAAXPWBGJFOSFQ-GGAORHGYSA-N 2 0 416.610 3.738 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425854 989769852 /nfs/dbraw/zinc/76/98/52/989769852.db2.gz BZODTCGPBKYXDR-VQIMIIECSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459410 989799843 /nfs/dbraw/zinc/79/98/43/989799843.db2.gz UKHKTGQGEMODAN-QKNQBKEWSA-N 2 0 400.592 3.733 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601324 989805290 /nfs/dbraw/zinc/80/52/90/989805290.db2.gz ILCSXOJUXBVGFF-IRLDBZIGSA-N 2 0 414.619 3.952 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC(C)C ZINC000471603316 989806864 /nfs/dbraw/zinc/80/68/64/989806864.db2.gz SOMSMGSVDZIMIX-ACBHZAAOSA-N 2 0 420.564 3.847 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471612269 989816657 /nfs/dbraw/zinc/81/66/57/989816657.db2.gz MTPLPPSEEHAOJF-QFIPXVFZSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617361 989822028 /nfs/dbraw/zinc/82/20/28/989822028.db2.gz GBRZTVMWLIYQQM-HIGZBPRKSA-N 2 0 412.622 3.518 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465535291 989898061 /nfs/dbraw/zinc/89/80/61/989898061.db2.gz AKSOEXCWGRUFFJ-RCLSDMTESA-N 2 0 406.640 3.798 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465536988 989900253 /nfs/dbraw/zinc/90/02/53/989900253.db2.gz FXQBONJHFUPACK-AWWSKVOZSA-N 2 0 400.611 3.789 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000465558319 989923036 /nfs/dbraw/zinc/92/30/36/989923036.db2.gz OPQYAIVNLCCZQU-LEWJYISDSA-N 2 0 400.611 3.792 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000465562376 989928686 /nfs/dbraw/zinc/92/86/86/989928686.db2.gz FXKZRBUXTXFQQD-QHCPKHFHSA-N 2 0 404.558 3.571 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611559 989997054 /nfs/dbraw/zinc/99/70/54/989997054.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 2 0 400.611 3.947 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678639 990063923 /nfs/dbraw/zinc/06/39/23/990063923.db2.gz CHQVVULRQZMIOH-OFNKIYASSA-N 2 0 412.553 3.592 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696988 990083023 /nfs/dbraw/zinc/08/30/23/990083023.db2.gz UGINMDCKIVNZCT-QFUCXCTJSA-N 2 0 418.582 3.872 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720268 990105709 /nfs/dbraw/zinc/10/57/09/990105709.db2.gz OECVPQHJARCGGS-FYYLOGMGSA-N 2 0 400.611 3.833 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000471962626 990127820 /nfs/dbraw/zinc/12/78/20/990127820.db2.gz FLICYGLEHYLMIJ-DNQXCXABSA-N 2 0 422.573 3.899 20 0 HHADRP CC(C)[NH+](CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000472003629 990173244 /nfs/dbraw/zinc/17/32/44/990173244.db2.gz UIQXMNSMIBGKKO-UHFFFAOYSA-N 2 0 406.537 3.600 20 0 HHADRP C[C@H](CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009284 990177401 /nfs/dbraw/zinc/17/74/01/990177401.db2.gz MUTWESHYINPMMX-ZJSXRUAMSA-N 2 0 408.590 3.718 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472074975 990235103 /nfs/dbraw/zinc/23/51/03/990235103.db2.gz PWUUJNGIEVTUOR-ZODMCCGTSA-N 2 0 420.601 3.861 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000465943507 991083133 /nfs/dbraw/zinc/08/31/33/991083133.db2.gz PRIZYYMHSYBJKB-HSZRJFAPSA-N 2 0 400.611 3.934 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073655 991246771 /nfs/dbraw/zinc/24/67/71/991246771.db2.gz DKIVWGXNWBAVJW-SBHAEUEKSA-N 2 0 404.624 3.695 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466088746 991268061 /nfs/dbraw/zinc/26/80/61/991268061.db2.gz BQRVKZMFBBGABF-HSZRJFAPSA-N 2 0 400.611 3.947 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466092814 991271854 /nfs/dbraw/zinc/27/18/54/991271854.db2.gz BDXMGADONLTMPP-CTNGQTDRSA-N 2 0 404.624 3.648 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000466102520 991281600 /nfs/dbraw/zinc/28/16/00/991281600.db2.gz SVDCJCABFZWGOD-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H]([NH2+]Cc1cncc(Br)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000466352486 991616621 /nfs/dbraw/zinc/61/66/21/991616621.db2.gz LMBBBVAPXKDMMY-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000466374584 991653119 /nfs/dbraw/zinc/65/31/19/991653119.db2.gz UCVLYBHCGINWKH-HOTGVXAUSA-N 2 0 404.352 3.743 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466400992 991694730 /nfs/dbraw/zinc/69/47/30/991694730.db2.gz XOUCBBYPDNSRMM-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000466718333 992029508 /nfs/dbraw/zinc/02/95/08/992029508.db2.gz SVNWKYLOHFFCPO-HXUWFJFHSA-N 2 0 415.622 3.565 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000466718332 992029806 /nfs/dbraw/zinc/02/98/06/992029806.db2.gz SVNWKYLOHFFCPO-FQEVSTJZSA-N 2 0 415.622 3.565 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000466728361 992038983 /nfs/dbraw/zinc/03/89/83/992038983.db2.gz IINMJJVFZAUDBX-IAGOWNOFSA-N 2 0 416.484 3.785 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000466873184 992194588 /nfs/dbraw/zinc/19/45/88/992194588.db2.gz HIFOBTLCGTYESS-UHFFFAOYSA-N 2 0 416.997 3.718 20 0 HHADRP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917440 992230785 /nfs/dbraw/zinc/23/07/85/992230785.db2.gz QCDPSYKDDCCWCB-DEOSSOPVSA-N 2 0 424.585 3.670 20 0 HHADRP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000466925620 992237950 /nfs/dbraw/zinc/23/79/50/992237950.db2.gz OVFQSSWUMQPZEV-NFBKMPQASA-N 2 0 401.595 3.609 20 0 HHADRP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466928339 992240244 /nfs/dbraw/zinc/24/02/44/992240244.db2.gz BUPUAMGXCARGAK-UHFFFAOYSA-N 2 0 419.585 3.530 20 0 HHADRP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000467102359 992409243 /nfs/dbraw/zinc/40/92/43/992409243.db2.gz SBUITYSSZQVRQW-UHFFFAOYSA-N 2 0 408.590 3.597 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000467391147 992703217 /nfs/dbraw/zinc/70/32/17/992703217.db2.gz ZIBLLKFXBMMJFT-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000467391149 992703227 /nfs/dbraw/zinc/70/32/27/992703227.db2.gz ZIBLLKFXBMMJFT-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467414046 992717604 /nfs/dbraw/zinc/71/76/04/992717604.db2.gz QJECXFJZHIKXKO-OAQYLSRUSA-N 2 0 424.427 3.532 20 0 HHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000467426011 992725596 /nfs/dbraw/zinc/72/55/96/992725596.db2.gz UHHGUNFHTDCXHY-VQTJNVASSA-N 2 0 413.400 3.863 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467838236 993069540 /nfs/dbraw/zinc/06/95/40/993069540.db2.gz GERDTUHEIDBFAL-QGZVFWFLSA-N 2 0 421.632 3.561 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114740 993165850 /nfs/dbraw/zinc/16/58/50/993165850.db2.gz HHYZANCUXCQODG-GVXSCFBNSA-N 2 0 420.601 3.718 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000472141120 993196476 /nfs/dbraw/zinc/19/64/76/993196476.db2.gz YLKYECZAVVWWGR-HNNXBMFYSA-N 2 0 423.424 3.688 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472293782 993308577 /nfs/dbraw/zinc/30/85/77/993308577.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 2 0 420.601 3.815 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306126 993318093 /nfs/dbraw/zinc/31/80/93/993318093.db2.gz PJDRTUGOZDQTCH-XZOQPEGZSA-N 2 0 424.614 3.845 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472369901 993367255 /nfs/dbraw/zinc/36/72/55/993367255.db2.gz QKZCBNJEJYUEMB-XMMPIXPASA-N 2 0 408.590 3.802 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sc(-c4cccnc4)nc3C)cn2)CC1 ZINC000480715264 993584963 /nfs/dbraw/zinc/58/49/63/993584963.db2.gz SFZXNABVTLMFDO-QGZVFWFLSA-N 2 0 422.602 3.901 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000480723056 993590409 /nfs/dbraw/zinc/59/04/09/993590409.db2.gz YEEWBAQOIRSOJU-LJQANCHMSA-N 2 0 424.593 3.558 20 0 HHADRP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472695765 993616685 /nfs/dbraw/zinc/61/66/85/993616685.db2.gz CYGRUSNJDLTYER-JOCHJYFZSA-N 2 0 410.562 3.755 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480768399 993633488 /nfs/dbraw/zinc/63/34/88/993633488.db2.gz GMODFMCJHJDOEJ-QGZVFWFLSA-N 2 0 402.608 3.805 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccc1S(C)(=O)=O ZINC000480775345 993640714 /nfs/dbraw/zinc/64/07/14/993640714.db2.gz OYODJWXBZKGACO-KRWDZBQOSA-N 2 0 404.576 3.790 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783055 993650831 /nfs/dbraw/zinc/65/08/31/993650831.db2.gz YJEOKFGLVDHRAB-BKMJKUGQSA-N 2 0 417.601 3.961 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792400 993661432 /nfs/dbraw/zinc/66/14/32/993661432.db2.gz BHRQBDPJGLQTOX-GBXCKJPGSA-N 2 0 418.589 3.605 20 0 HHADRP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480948527 993791853 /nfs/dbraw/zinc/79/18/53/993791853.db2.gz BISZJAGEISSZBY-GOSISDBHSA-N 2 0 412.603 3.975 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000480970321 993812110 /nfs/dbraw/zinc/81/21/10/993812110.db2.gz KHZBEZXGQUSUDW-UHFFFAOYSA-N 2 0 404.574 3.698 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000480970946 993812333 /nfs/dbraw/zinc/81/23/33/993812333.db2.gz MBLSRBBMHNAQKR-UWJYYQICSA-N 2 0 416.541 3.812 20 0 HHADRP CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036852 993881290 /nfs/dbraw/zinc/88/12/90/993881290.db2.gz OCLPWLMNBFNTPW-KNQAVFIVSA-N 2 0 403.636 3.763 20 0 HHADRP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000481121244 993957540 /nfs/dbraw/zinc/95/75/40/993957540.db2.gz USOUUYRAJXXOLW-LJQANCHMSA-N 2 0 420.557 3.849 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209762 994042943 /nfs/dbraw/zinc/04/29/43/994042943.db2.gz PGLWTNSVYRICDX-ZPZUNKDASA-N 2 0 411.565 3.699 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000481254234 994078337 /nfs/dbraw/zinc/07/83/37/994078337.db2.gz JUSPOHCOLAHKAB-LJQANCHMSA-N 2 0 406.452 3.509 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320295 994140216 /nfs/dbraw/zinc/14/02/16/994140216.db2.gz ZLXJZOBMLSZSPP-JOCHJYFZSA-N 2 0 418.589 3.516 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561620 994396303 /nfs/dbraw/zinc/39/63/03/994396303.db2.gz KQYXNJLICTUGFS-ZNLUXHQJSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561859 994396631 /nfs/dbraw/zinc/39/66/31/994396631.db2.gz AZYRFEKMBSJBDA-SFTDATJTSA-N 2 0 411.590 3.699 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000481666549 994526893 /nfs/dbraw/zinc/52/68/93/994526893.db2.gz JBQFCOCPRGLAQA-INIZCTEOSA-N 2 0 407.480 3.718 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000481686197 994547012 /nfs/dbraw/zinc/54/70/12/994547012.db2.gz OGUFEHRCIIDBQI-XUZZJYLKSA-N 2 0 408.590 3.861 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819247 994746892 /nfs/dbraw/zinc/74/68/92/994746892.db2.gz FXAQLOCHLZIFNI-NZQKXSOJSA-N 2 0 421.589 3.613 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000481917462 994789668 /nfs/dbraw/zinc/78/96/68/994789668.db2.gz FTAFWIYSJXOVGT-INIZCTEOSA-N 2 0 407.480 3.718 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000481924367 994796207 /nfs/dbraw/zinc/79/62/07/994796207.db2.gz PLEXERXCFTYFSM-PKTZIBPZSA-N 2 0 408.546 3.856 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932186 994804887 /nfs/dbraw/zinc/80/48/87/994804887.db2.gz MQLKSSSQIVLDII-HOJAQTOUSA-N 2 0 410.002 3.654 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000482108752 995056009 /nfs/dbraw/zinc/05/60/09/995056009.db2.gz ISMXTWZTCFRHAB-INIZCTEOSA-N 2 0 421.358 3.846 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(Br)c1 ZINC000482238410 995221121 /nfs/dbraw/zinc/22/11/21/995221121.db2.gz LNBBRLULDKVQKV-AWEZNQCLSA-N 2 0 422.342 3.730 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)c1 ZINC000482240137 995222642 /nfs/dbraw/zinc/22/26/42/995222642.db2.gz OGPZJCUMZLEOIA-FQEVSTJZSA-N 2 0 416.363 3.518 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000482241524 995224165 /nfs/dbraw/zinc/22/41/65/995224165.db2.gz KQQBGKYPNYCYCB-LJQANCHMSA-N 2 0 402.542 3.891 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256410 995234432 /nfs/dbraw/zinc/23/44/32/995234432.db2.gz GYWZZSUESMUYAY-SFHVURJKSA-N 2 0 412.530 3.756 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482434228 995426927 /nfs/dbraw/zinc/42/69/27/995426927.db2.gz FACCTXKKAHFMLZ-OKFDZGCWSA-N 2 0 403.570 3.973 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)CN1CC[NH+](C)CC1 ZINC000482447112 995446054 /nfs/dbraw/zinc/44/60/54/995446054.db2.gz LPYJNGWDIPLRNV-QFBILLFUSA-N 2 0 402.583 3.800 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000482456410 995458112 /nfs/dbraw/zinc/45/81/12/995458112.db2.gz ZWMUEBCBEJMUNC-IBGZPJMESA-N 2 0 422.602 3.853 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000474517045 995480784 /nfs/dbraw/zinc/48/07/84/995480784.db2.gz PDNQIYSIVPTABG-MQSCRBSSSA-N 2 0 412.622 3.803 20 0 HHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482520906 995530135 /nfs/dbraw/zinc/53/01/35/995530135.db2.gz VTARPMATUFVGEE-LJQANCHMSA-N 2 0 407.624 3.634 20 0 HHADRP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474570982 995532926 /nfs/dbraw/zinc/53/29/26/995532926.db2.gz WAJSNBPVGBBXAW-NRFANRHFSA-N 2 0 423.605 3.789 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482534837 995542421 /nfs/dbraw/zinc/54/24/21/995542421.db2.gz OJPBOUWBUHRKRS-GJZGRUSLSA-N 2 0 410.393 3.774 20 0 HHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000482535893 995543844 /nfs/dbraw/zinc/54/38/44/995543844.db2.gz PDASGEJWEUOVMC-IAGOWNOFSA-N 2 0 420.395 3.595 20 0 HHADRP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000482539707 995547805 /nfs/dbraw/zinc/54/78/05/995547805.db2.gz RWAUUPWJHZUWPH-MRXNPFEDSA-N 2 0 402.510 3.650 20 0 HHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000482545516 995554242 /nfs/dbraw/zinc/55/42/42/995554242.db2.gz YXGICJVVTOOVPM-INIZCTEOSA-N 2 0 421.379 3.664 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000482555340 995562877 /nfs/dbraw/zinc/56/28/77/995562877.db2.gz XUBVHWWDHBABIW-QGZVFWFLSA-N 2 0 413.953 3.754 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570403 995575817 /nfs/dbraw/zinc/57/58/17/995575817.db2.gz WJHQWFXYMZBZQZ-CRAIPNDOSA-N 2 0 416.566 3.504 20 0 HHADRP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625369 995620178 /nfs/dbraw/zinc/62/01/78/995620178.db2.gz CSDAHISCHSYPLH-UXHICEINSA-N 2 0 417.619 3.945 20 0 HHADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625371 995620422 /nfs/dbraw/zinc/62/04/22/995620422.db2.gz CSDAHISCHSYPLH-VQTJNVASSA-N 2 0 417.619 3.945 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4c(F)cccc43)c2)C1 ZINC000482630791 995624580 /nfs/dbraw/zinc/62/45/80/995624580.db2.gz MTZLFAWPSYUBOZ-NQIIRXRSSA-N 2 0 413.562 3.850 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636702 995631122 /nfs/dbraw/zinc/63/11/22/995631122.db2.gz WPFFCURTADBJSQ-GGAORHGYSA-N 2 0 419.569 3.920 20 0 HHADRP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000482707225 995695811 /nfs/dbraw/zinc/69/58/11/995695811.db2.gz QNPAHYIYQNMQDC-UHFFFAOYSA-N 2 0 404.986 3.617 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000474802493 995715855 /nfs/dbraw/zinc/71/58/55/995715855.db2.gz XJTIIBFLEFVZJF-RTBURBONSA-N 2 0 412.574 3.942 20 0 HHADRP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821844 995772680 /nfs/dbraw/zinc/77/26/80/995772680.db2.gz LMVKCMJSUOZFLP-LOSJGSFVSA-N 2 0 405.586 3.803 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114019 995930569 /nfs/dbraw/zinc/93/05/69/995930569.db2.gz VWHHHSVOFCBCDQ-FCHUYYIVSA-N 2 0 410.562 3.641 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475119770 995934724 /nfs/dbraw/zinc/93/47/24/995934724.db2.gz QGHLLJCYVVENCR-VWLOTQADSA-N 2 0 412.622 3.947 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175797 995973134 /nfs/dbraw/zinc/97/31/34/995973134.db2.gz RTNSJARQKBBXEC-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140174 995998508 /nfs/dbraw/zinc/99/85/08/995998508.db2.gz ZSOAHWNGNFWTIC-CUWPLCDZSA-N 2 0 424.427 3.754 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149804 996004129 /nfs/dbraw/zinc/00/41/29/996004129.db2.gz XQIPRNFMLSRGBF-SFHVURJKSA-N 2 0 405.583 3.595 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000483176957 996019398 /nfs/dbraw/zinc/01/93/98/996019398.db2.gz KUOJPHRNCMWRMF-NRFANRHFSA-N 2 0 401.595 3.678 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)C[C@@H](C)O1 ZINC000483195505 996030793 /nfs/dbraw/zinc/03/07/93/996030793.db2.gz BBSKTMBHOBWRDL-IAGOWNOFSA-N 2 0 415.500 3.734 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)C[C@H](C)O1 ZINC000483195506 996030922 /nfs/dbraw/zinc/03/09/22/996030922.db2.gz BBSKTMBHOBWRDL-IRXDYDNUSA-N 2 0 415.500 3.734 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475270240 996036985 /nfs/dbraw/zinc/03/69/85/996036985.db2.gz PXSVDWBLHWPDRE-GOSISDBHSA-N 2 0 408.498 3.840 20 0 HHADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000483217065 996043118 /nfs/dbraw/zinc/04/31/18/996043118.db2.gz MCTJRUMBLHZTMD-UHFFFAOYSA-N 2 0 401.599 3.642 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290193 996048269 /nfs/dbraw/zinc/04/82/69/996048269.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 2 0 420.601 3.813 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483592893 996273046 /nfs/dbraw/zinc/27/30/46/996273046.db2.gz BDLKPKCEHZNOLK-FGZHOGPDSA-N 2 0 403.636 3.575 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483620965 996290949 /nfs/dbraw/zinc/29/09/49/996290949.db2.gz HCHGOGVVLCKXGW-GIWBLDEGSA-N 2 0 400.611 3.945 20 0 HHADRP O[C@@H](COCc1cccs1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729533 996329206 /nfs/dbraw/zinc/32/92/06/996329206.db2.gz NNFIVTOXAUVPCW-FYYLOGMGSA-N 2 0 400.588 3.614 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736924 996335875 /nfs/dbraw/zinc/33/58/75/996335875.db2.gz XYYUOGGBNRBXBD-AOYPEHQESA-N 2 0 424.585 3.561 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483706353 996340223 /nfs/dbraw/zinc/34/02/23/996340223.db2.gz FEABBWONJQLFEO-PMVMPFDFSA-N 2 0 400.611 3.974 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935520 996483919 /nfs/dbraw/zinc/48/39/19/996483919.db2.gz VIXIWOSKYFYBIT-RDPSFJRHSA-N 2 0 423.605 3.867 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483970958 996499000 /nfs/dbraw/zinc/49/90/00/996499000.db2.gz GNCIEXDDVDCDHG-QPPBQGQZSA-N 2 0 420.601 3.861 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475962109 996501942 /nfs/dbraw/zinc/50/19/42/996501942.db2.gz ZRWKMLGJUVQVDR-HXUWFJFHSA-N 2 0 404.624 3.981 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475996764 996526133 /nfs/dbraw/zinc/52/61/33/996526133.db2.gz IYQGHMCVXBGBKT-UHFFFAOYSA-N 2 0 422.564 3.835 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000484294799 996684443 /nfs/dbraw/zinc/68/44/43/996684443.db2.gz UOOZHDYOIUEUEK-HNNXBMFYSA-N 2 0 415.500 3.863 20 0 HHADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000484483401 996804704 /nfs/dbraw/zinc/80/47/04/996804704.db2.gz LROQWKFLDMXBQZ-CYBMUJFWSA-N 2 0 407.452 3.566 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484504609 996833140 /nfs/dbraw/zinc/83/31/40/996833140.db2.gz URRPYVIYXWMYRE-NZQKXSOJSA-N 2 0 409.574 3.511 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000484526297 996857707 /nfs/dbraw/zinc/85/77/07/996857707.db2.gz GCCLGLFZYNNUHH-UHFFFAOYSA-N 2 0 420.601 3.988 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000484949511 997327647 /nfs/dbraw/zinc/32/76/47/997327647.db2.gz WEGNBUTXPAWYEP-UHFFFAOYSA-N 2 0 401.620 3.764 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000476906099 997511760 /nfs/dbraw/zinc/51/17/60/997511760.db2.gz MFGDLEMMMPRDEE-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476924147 997536717 /nfs/dbraw/zinc/53/67/17/997536717.db2.gz FESKDBVLXFELGQ-DYESRHJHSA-N 2 0 404.986 3.573 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029983 997661756 /nfs/dbraw/zinc/66/17/56/997661756.db2.gz UVCJNNBNFQYANB-MAODMQOUSA-N 2 0 407.961 3.995 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000485287353 997685441 /nfs/dbraw/zinc/68/54/41/997685441.db2.gz KJAGNMNWNJMGSH-WNXIRNOKSA-N 2 0 412.622 3.790 20 0 HHADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000477120189 997775880 /nfs/dbraw/zinc/77/58/80/997775880.db2.gz CKKIXXACKKTJPE-LMMKCTJWSA-N 2 0 411.594 3.632 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000485453548 997896345 /nfs/dbraw/zinc/89/63/45/997896345.db2.gz KANWCFKGLPPHJT-IOMROCGXSA-N 2 0 407.002 3.849 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000477278734 997957963 /nfs/dbraw/zinc/95/79/63/997957963.db2.gz OYPVKEBJONRMCO-LJQANCHMSA-N 2 0 404.599 3.786 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000477337910 998025513 /nfs/dbraw/zinc/02/55/13/998025513.db2.gz JIIWCODSBYVFBZ-LJQANCHMSA-N 2 0 414.516 3.653 20 0 HHADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@H]21 ZINC000485602086 998049363 /nfs/dbraw/zinc/04/93/63/998049363.db2.gz QCJYIKFJOSANML-RBBKRZOGSA-N 2 0 419.013 3.678 20 0 HHADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477440111 998138825 /nfs/dbraw/zinc/13/88/25/998138825.db2.gz QSVJWCFGBIOTNI-JXFKEZNVSA-N 2 0 416.006 3.663 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485824295 998291754 /nfs/dbraw/zinc/29/17/54/998291754.db2.gz BZZYBVOHBOMZHF-ABSDTBQOSA-N 2 0 408.571 3.726 20 0 HHADRP O=C(C1CC[NH+](C2CC2)CC1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000485893393 998346961 /nfs/dbraw/zinc/34/69/61/998346961.db2.gz BBXSUQFOPFERIJ-LJQANCHMSA-N 2 0 423.523 3.774 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111581 998558537 /nfs/dbraw/zinc/55/85/37/998558537.db2.gz RSJFWCVVKHAISS-RXVVDRJESA-N 2 0 404.624 3.791 20 0 HHADRP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477850847 998604219 /nfs/dbraw/zinc/60/42/19/998604219.db2.gz DGHBBPJKZXHWTM-UHFFFAOYSA-N 2 0 407.606 3.997 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000486214201 998651590 /nfs/dbraw/zinc/65/15/90/998651590.db2.gz LKOFRUGOACVGIN-KZKAQZJJSA-N 2 0 400.611 3.878 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266794 998685059 /nfs/dbraw/zinc/68/50/59/998685059.db2.gz DVQMDWIXEFBCGQ-GIWBLDEGSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300519 998702160 /nfs/dbraw/zinc/70/21/60/998702160.db2.gz TXUTVTMWJREHBU-HYVLGVRCSA-N 2 0 414.638 3.954 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000478176236 998803889 /nfs/dbraw/zinc/80/38/89/998803889.db2.gz JVCGDPCPCGYWEK-QHCPKHFHSA-N 2 0 411.638 3.591 20 0 HHADRP Cc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000478212884 998826203 /nfs/dbraw/zinc/82/62/03/998826203.db2.gz VHMDMSBIEMBBRB-UHFFFAOYSA-N 2 0 421.326 3.684 20 0 HHADRP CC(C)(CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000478413439 998944500 /nfs/dbraw/zinc/94/45/00/998944500.db2.gz IWRZAPXTERWQAN-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478416020 998946453 /nfs/dbraw/zinc/94/64/53/998946453.db2.gz INJLRWLZPBJFPK-PXNSSMCTSA-N 2 0 424.992 3.893 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000478459422 998971649 /nfs/dbraw/zinc/97/16/49/998971649.db2.gz MMUWRFOTZCAQOJ-DEOSSOPVSA-N 2 0 424.589 3.606 20 0 HHADRP c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000486977456 999025182 /nfs/dbraw/zinc/02/51/82/999025182.db2.gz OZHUIKIGLXLBQE-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000487060494 999051210 /nfs/dbraw/zinc/05/12/10/999051210.db2.gz KQLKFDXNNJBWDQ-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000478903672 999202847 /nfs/dbraw/zinc/20/28/47/999202847.db2.gz XOWYINBJOGNBGP-SQJMNOBHSA-N 2 0 420.601 3.656 20 0 HHADRP NC(=O)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(Br)c1 ZINC000479044272 999263746 /nfs/dbraw/zinc/26/37/46/999263746.db2.gz ZMTZTIGVIOWHCL-GOSISDBHSA-N 2 0 422.392 3.539 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000487742368 999273559 /nfs/dbraw/zinc/27/35/59/999273559.db2.gz WDFJUJXOIHDLRT-UHFFFAOYSA-N 2 0 423.601 3.923 20 0 HHADRP CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487807204 999296492 /nfs/dbraw/zinc/29/64/92/999296492.db2.gz MYJHNALFGUUNGT-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487923769 999317497 /nfs/dbraw/zinc/31/74/97/999317497.db2.gz YBTGIXRFRPRTSB-QFIPXVFZSA-N 2 0 415.647 3.964 20 0 HHADRP CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000487974875 999333399 /nfs/dbraw/zinc/33/33/99/999333399.db2.gz CKNJXPQSGARCHK-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479283897 999364748 /nfs/dbraw/zinc/36/47/48/999364748.db2.gz PGRZFSNYTFNTOD-QWHCGFSZSA-N 2 0 408.306 3.754 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479289169 999367276 /nfs/dbraw/zinc/36/72/76/999367276.db2.gz VZJPNRIEHMDEEH-DYESRHJHSA-N 2 0 402.380 3.764 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077174 999369037 /nfs/dbraw/zinc/36/90/37/999369037.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 2 0 408.590 3.717 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000488102869 999376751 /nfs/dbraw/zinc/37/67/51/999376751.db2.gz QHHHFQZLCFRGKE-UHFFFAOYSA-N 2 0 400.563 3.865 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479327084 999386688 /nfs/dbraw/zinc/38/66/88/999386688.db2.gz QMQLBKSURFIDRW-GOSISDBHSA-N 2 0 403.592 3.643 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190285 999408715 /nfs/dbraw/zinc/40/87/15/999408715.db2.gz RQGUEJMDVPJCCP-LEWJYISDSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000479488945 999440243 /nfs/dbraw/zinc/44/02/43/999440243.db2.gz LMLKCZKUHAGEAB-TZYSRNFLSA-N 2 0 419.513 3.514 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000488436705 999486828 /nfs/dbraw/zinc/48/68/28/999486828.db2.gz TXJDCZKQXFHXOZ-MRXNPFEDSA-N 2 0 415.500 3.816 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478569 999501452 /nfs/dbraw/zinc/50/14/52/999501452.db2.gz PNTLBZWSVYIENC-RDPSFJRHSA-N 2 0 423.626 3.876 20 0 HHADRP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488544531 999523110 /nfs/dbraw/zinc/52/31/10/999523110.db2.gz GYMXRTKQPARUTO-NFBKMPQASA-N 2 0 421.589 3.508 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000480033519 999695112 /nfs/dbraw/zinc/69/51/12/999695112.db2.gz HQWZRPUXTYEJPF-LJQANCHMSA-N 2 0 421.614 3.982 20 0 HHADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000489141838 999710897 /nfs/dbraw/zinc/71/08/97/999710897.db2.gz RPYASZHWXCPHNO-PMACEKPBSA-N 2 0 407.002 3.724 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000480136698 999727297 /nfs/dbraw/zinc/72/72/97/999727297.db2.gz IGGRLAORXLCZEY-IBGZPJMESA-N 2 0 415.603 3.919 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480149968 999731085 /nfs/dbraw/zinc/73/10/85/999731085.db2.gz UYZKEWLROYPANO-IBGZPJMESA-N 2 0 413.587 3.673 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480274358 999761001 /nfs/dbraw/zinc/76/10/01/999761001.db2.gz MUDICKBLXPBOLO-HSZRJFAPSA-N 2 0 409.574 3.990 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000489444491 999768869 /nfs/dbraw/zinc/76/88/69/999768869.db2.gz XXVWJKIAQYDEGM-LEOXJPRUSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445080 999769081 /nfs/dbraw/zinc/76/90/81/999769081.db2.gz LFSJCEPQUHZTHX-HYBUGGRVSA-N 2 0 412.622 3.993 20 0 HHADRP C[N@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000489452591 999770431 /nfs/dbraw/zinc/77/04/31/999770431.db2.gz VKSVPWMXQXGRRA-UHFFFAOYSA-N 2 0 412.553 3.564 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000480367722 999781865 /nfs/dbraw/zinc/78/18/65/999781865.db2.gz WMYHUUFLHDNBTH-UHFFFAOYSA-N 2 0 416.997 3.819 20 0 HHADRP C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000480444335 999800515 /nfs/dbraw/zinc/80/05/15/999800515.db2.gz LRJSWCJQEFVMTQ-QFQXNSOFSA-N 2 0 409.618 3.936 20 0 HHADRP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489630873 999806304 /nfs/dbraw/zinc/80/63/04/999806304.db2.gz BOQVOWFHFFYIJG-JOCHJYFZSA-N 2 0 423.601 3.723 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000489635714 999807130 /nfs/dbraw/zinc/80/71/30/999807130.db2.gz ROUDZEWEVKAJTD-QFIPXVFZSA-N 2 0 402.966 3.924 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489726922 999825692 /nfs/dbraw/zinc/82/56/92/999825692.db2.gz ICEHJHXHAYJUGE-YOEKFXIASA-N 2 0 412.622 3.659 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480594721 999836318 /nfs/dbraw/zinc/83/63/18/999836318.db2.gz MNPLWZFHSSBLCQ-BKMJKUGQSA-N 2 0 407.602 3.950 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480616857 999842239 /nfs/dbraw/zinc/84/22/39/999842239.db2.gz WJCKGWGOOOQNRU-IAGOWNOFSA-N 2 0 402.608 3.804 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618609 999842600 /nfs/dbraw/zinc/84/26/00/999842600.db2.gz WOTVTRFBWBXJEN-KBPBESRZSA-N 2 0 407.452 3.566 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618612 999842622 /nfs/dbraw/zinc/84/26/22/999842622.db2.gz WOTVTRFBWBXJEN-KGLIPLIRSA-N 2 0 407.452 3.566 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480622556 999843387 /nfs/dbraw/zinc/84/33/87/999843387.db2.gz VOTCSUAINFPGTA-XLIONFOSSA-N 2 0 414.619 3.812 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nccn3-c3ccccc3)CC2)c1 ZINC000480664196 999854260 /nfs/dbraw/zinc/85/42/60/999854260.db2.gz MOIIXWSRUQIRPE-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000480695943 999861740 /nfs/dbraw/zinc/86/17/40/999861740.db2.gz VDCVCDBRSRDTIV-OAQYLSRUSA-N 2 0 420.601 3.802 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000490118236 999895502 /nfs/dbraw/zinc/89/55/02/999895502.db2.gz JXKDQOJXSWWVKC-UNVFRBQDSA-N 2 0 421.585 3.879 20 0 HHADRP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490799782 1000007927 /nfs/dbraw/zinc/00/79/27/1000007927.db2.gz SSEXTNNZIQRTGR-KNQAVFIVSA-N 2 0 400.526 3.888 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000490940644 1000026037 /nfs/dbraw/zinc/02/60/37/1000026037.db2.gz UCKHRGCQTWTSGA-UHFFFAOYSA-N 2 0 412.603 3.661 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952142 1000026585 /nfs/dbraw/zinc/02/65/85/1000026585.db2.gz QHGVYVZBISOJKS-RTBURBONSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000202 1000032280 /nfs/dbraw/zinc/03/22/80/1000032280.db2.gz ZNPCSTRDFBTRSB-QUCCMNQESA-N 2 0 413.528 3.822 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027255 1000035896 /nfs/dbraw/zinc/03/58/96/1000035896.db2.gz JEBCIDVNWDTFMF-JTHBVZDNSA-N 2 0 405.586 3.804 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491039560 1000038240 /nfs/dbraw/zinc/03/82/40/1000038240.db2.gz RCKVXJDXLUUSJT-NRFANRHFSA-N 2 0 421.354 3.972 20 0 HHADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491061126 1000040997 /nfs/dbraw/zinc/04/09/97/1000040997.db2.gz PVICVIPQTMBMNU-WZONZLPQSA-N 2 0 401.982 3.911 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147246 1000050244 /nfs/dbraw/zinc/05/02/44/1000050244.db2.gz WUQHZPVWCKZWGC-DVKRWUGUSA-N 2 0 412.622 3.660 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc2C1 ZINC000491316810 1000064370 /nfs/dbraw/zinc/06/43/70/1000064370.db2.gz MSCQHUGGGPEVQX-KYTVRQNUSA-N 2 0 421.585 3.879 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491389602 1000070862 /nfs/dbraw/zinc/07/08/62/1000070862.db2.gz OWMHXBPKJTYTEZ-OAQYLSRUSA-N 2 0 424.593 3.526 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491403089 1000072120 /nfs/dbraw/zinc/07/21/20/1000072120.db2.gz WSEZHMIJJXSQCQ-IBGZPJMESA-N 2 0 424.593 3.703 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000493250414 1000165347 /nfs/dbraw/zinc/16/53/47/1000165347.db2.gz RZUDBROSMUGBAY-IBGZPJMESA-N 2 0 407.327 3.724 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000494005337 1000263291 /nfs/dbraw/zinc/26/32/91/1000263291.db2.gz XZPHHLWLIGIRIZ-NRFANRHFSA-N 2 0 400.567 3.704 20 0 HHADRP O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000504568361 1000274166 /nfs/dbraw/zinc/27/41/66/1000274166.db2.gz NCZYQOCVFSKEKP-UHFFFAOYSA-N 2 0 421.372 3.650 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615962 1000294027 /nfs/dbraw/zinc/29/40/27/1000294027.db2.gz WLZHGSKVECHDFA-RTWAWAEBSA-N 2 0 401.501 3.563 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494191346 1000353091 /nfs/dbraw/zinc/35/30/91/1000353091.db2.gz INCWXHPECYAKEO-QGZVFWFLSA-N 2 0 409.755 3.959 20 0 HHADRP CC(C)[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504816892 1000382773 /nfs/dbraw/zinc/38/27/73/1000382773.db2.gz FXZIXZJAJYUXHT-XMMPIXPASA-N 2 0 424.589 3.831 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883915 1000426178 /nfs/dbraw/zinc/42/61/78/1000426178.db2.gz XFNMDPBWOMOLNT-NHCUHLMSSA-N 2 0 412.603 3.849 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504931024 1000455507 /nfs/dbraw/zinc/45/55/07/1000455507.db2.gz RSLFCMNJTOQXHW-FCHUYYIVSA-N 2 0 410.562 3.770 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158810 1000584898 /nfs/dbraw/zinc/58/48/98/1000584898.db2.gz ATLLBDSOVLGHPN-MSOLQXFVSA-N 2 0 407.530 3.624 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505283691 1000669924 /nfs/dbraw/zinc/66/99/24/1000669924.db2.gz AEQLNEMXKSEULQ-UHFFFAOYSA-N 2 0 415.647 3.964 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900846 1000720187 /nfs/dbraw/zinc/72/01/87/1000720187.db2.gz BWXHIFLSWMTQDK-AQNXPRMDSA-N 2 0 409.574 3.848 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923572 1000732245 /nfs/dbraw/zinc/73/22/45/1000732245.db2.gz LYFZBCVZEVVLJW-RCZVLFRGSA-N 2 0 411.565 3.831 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000505410153 1000754120 /nfs/dbraw/zinc/75/41/20/1000754120.db2.gz RNDMNTHVNLCDQB-RPBOFIJWSA-N 2 0 403.570 3.517 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495041136 1000794656 /nfs/dbraw/zinc/79/46/56/1000794656.db2.gz GZVRXGOGITYDQB-DENIHFKCSA-N 2 0 419.585 3.510 20 0 HHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000495080860 1000817546 /nfs/dbraw/zinc/81/75/46/1000817546.db2.gz SDMLURQUBUSESW-UHFFFAOYSA-N 2 0 408.468 3.640 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000495088285 1000829006 /nfs/dbraw/zinc/82/90/06/1000829006.db2.gz UUZUMLIRBOGSIL-NZQKXSOJSA-N 2 0 403.586 3.833 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000505737628 1001000455 /nfs/dbraw/zinc/00/04/55/1001000455.db2.gz GXYQBYCUCYDMJF-JOCHJYFZSA-N 2 0 419.573 3.514 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760284 1001009932 /nfs/dbraw/zinc/00/99/32/1001009932.db2.gz OPYGIXAKKOAVGT-VAMGGRTRSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760282 1001010131 /nfs/dbraw/zinc/01/01/31/1001010131.db2.gz OPYGIXAKKOAVGT-AQNXPRMDSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000505800590 1001033145 /nfs/dbraw/zinc/03/31/45/1001033145.db2.gz CYAMLKNNLZQLPE-NRFANRHFSA-N 2 0 414.619 3.536 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000505808740 1001037136 /nfs/dbraw/zinc/03/71/36/1001037136.db2.gz ZKYJWKIOGCPTHX-IBGZPJMESA-N 2 0 414.619 3.915 20 0 HHADRP CCOc1ccccc1N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000505897238 1001086807 /nfs/dbraw/zinc/08/68/07/1001086807.db2.gz BSUZSEZTLFUAOP-UHFFFAOYSA-N 2 0 422.617 3.938 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925973 1001105983 /nfs/dbraw/zinc/10/59/83/1001105983.db2.gz ZHHZAXLRKZIOPI-IRLDBZIGSA-N 2 0 415.647 3.962 20 0 HHADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000506012938 1001162632 /nfs/dbraw/zinc/16/26/32/1001162632.db2.gz PHTJQXVIFNIKPY-OALUTQOASA-N 2 0 422.013 3.730 20 0 HHADRP c1ccc(COc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)nc1 ZINC000506022354 1001169301 /nfs/dbraw/zinc/16/93/01/1001169301.db2.gz MFNZXFCEHGPEIX-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030308 1001174938 /nfs/dbraw/zinc/17/49/38/1001174938.db2.gz GHQSLJMMJRNRMH-QFIPXVFZSA-N 2 0 415.622 3.637 20 0 HHADRP Clc1cccc(-c2noc(CC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)c1 ZINC000506051140 1001192265 /nfs/dbraw/zinc/19/22/65/1001192265.db2.gz HYJRTPVIJANIAR-UHFFFAOYSA-N 2 0 418.969 3.757 20 0 HHADRP COc1ccc(CCC[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000497488867 1001396379 /nfs/dbraw/zinc/39/63/79/1001396379.db2.gz KPTWNPKETKPUNP-UHFFFAOYSA-N 2 0 423.601 3.649 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565956 1001438205 /nfs/dbraw/zinc/43/82/05/1001438205.db2.gz GZHIQXSIYRLRAN-RDPSFJRHSA-N 2 0 412.622 3.851 20 0 HHADRP CN(C(=O)N[C@@H](C[NH+]1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497617532 1001460429 /nfs/dbraw/zinc/46/04/29/1001460429.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 2 0 412.622 3.726 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000497633219 1001465870 /nfs/dbraw/zinc/46/58/70/1001465870.db2.gz LNQRPVIESVROMO-JPYJTQIMSA-N 2 0 412.553 3.953 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506630542 1001476690 /nfs/dbraw/zinc/47/66/90/1001476690.db2.gz CCSFJHSHLVXKIP-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866267 1001572167 /nfs/dbraw/zinc/57/21/67/1001572167.db2.gz WDLHDNRFGLXDNP-NJDAHSKKSA-N 2 0 402.583 3.713 20 0 HHADRP CCOc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OCC(F)(F)F ZINC000506873058 1001575302 /nfs/dbraw/zinc/57/53/02/1001575302.db2.gz DTKJEKUKSHMJIB-UHFFFAOYSA-N 2 0 416.484 3.571 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000498166283 1001671385 /nfs/dbraw/zinc/67/13/85/1001671385.db2.gz NNHWPACMVRLJCC-CEWLAPEOSA-N 2 0 404.986 3.603 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000498291716 1001760235 /nfs/dbraw/zinc/76/02/35/1001760235.db2.gz IJGWXOMHDHZIMK-PKTZIBPZSA-N 2 0 400.611 3.934 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000498291715 1001760457 /nfs/dbraw/zinc/76/04/57/1001760457.db2.gz IJGWXOMHDHZIMK-GOTSBHOMSA-N 2 0 400.611 3.934 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000498512001 1001934684 /nfs/dbraw/zinc/93/46/84/1001934684.db2.gz RSBBAORIZSAVBR-UHFFFAOYSA-N 2 0 403.636 3.820 20 0 HHADRP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000507340969 1002009735 /nfs/dbraw/zinc/00/97/35/1002009735.db2.gz OTJWMZDUGNFTIY-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000507378237 1002034133 /nfs/dbraw/zinc/03/41/33/1002034133.db2.gz KBVNZIFSKDCFFE-DEOSSOPVSA-N 2 0 414.638 3.752 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)N1CCc2ccccc21 ZINC000507464071 1002085955 /nfs/dbraw/zinc/08/59/55/1002085955.db2.gz WJDXICYALWVVHJ-WXFUMESZSA-N 2 0 403.570 3.856 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000507471224 1002090853 /nfs/dbraw/zinc/09/08/53/1002090853.db2.gz OQIANKZJKDGZHR-ROUUACIJSA-N 2 0 413.528 3.802 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714418 1002097058 /nfs/dbraw/zinc/09/70/58/1002097058.db2.gz LGMVSNSZTXYGLX-PZJWPPBQSA-N 2 0 414.619 3.732 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717154 1002098895 /nfs/dbraw/zinc/09/88/95/1002098895.db2.gz LVTKGWOWBFAOCL-IFMALSPDSA-N 2 0 412.578 3.572 20 0 HHADRP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000498798963 1002183895 /nfs/dbraw/zinc/18/38/95/1002183895.db2.gz MHUAVBQMFLFMIV-JOCBIADPSA-N 2 0 403.533 3.664 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c(OCC)c2)CC1 ZINC000507617600 1002222887 /nfs/dbraw/zinc/22/28/87/1002222887.db2.gz HCIJYRDFVYMYNY-GOSISDBHSA-N 2 0 404.599 3.723 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000498936586 1002335343 /nfs/dbraw/zinc/33/53/43/1002335343.db2.gz HSBFYRUYLFDJNJ-FQEVSTJZSA-N 2 0 406.368 3.747 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944810 1002343704 /nfs/dbraw/zinc/34/37/04/1002343704.db2.gz UOVZUNLECUELJH-ICSRJNTNSA-N 2 0 407.352 3.958 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944812 1002344752 /nfs/dbraw/zinc/34/47/52/1002344752.db2.gz UOVZUNLECUELJH-UYAOXDASSA-N 2 0 407.352 3.958 20 0 HHADRP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148872 1002532518 /nfs/dbraw/zinc/53/25/18/1002532518.db2.gz UIGFGNGJEOYEPU-YCAMKHIRSA-N 2 0 405.590 3.793 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542663 /nfs/dbraw/zinc/54/26/63/1002542663.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 2 0 405.586 3.804 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)C1 ZINC000508047653 1002570129 /nfs/dbraw/zinc/57/01/29/1002570129.db2.gz AXRRHQCQXJDAMT-BGYRXZFFSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508054223 1002574892 /nfs/dbraw/zinc/57/48/92/1002574892.db2.gz SWYFOPUCYNHMSW-BGYRXZFFSA-N 2 0 400.611 3.696 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000508345551 1002847002 /nfs/dbraw/zinc/84/70/02/1002847002.db2.gz VLYCTTMZDATAMD-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000499702120 1003051850 /nfs/dbraw/zinc/05/18/50/1003051850.db2.gz DGRAYGUXRUIBMW-UHFFFAOYSA-N 2 0 424.520 3.658 20 0 HHADRP C[C@H](Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714167 1003153880 /nfs/dbraw/zinc/15/38/80/1003153880.db2.gz UZXWIKYPWGYNNZ-OYDLWJJNSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508843779 1003264303 /nfs/dbraw/zinc/26/43/03/1003264303.db2.gz FTYONQGDNRMFGU-AUSIDOKSSA-N 2 0 409.578 3.631 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902799 1003338984 /nfs/dbraw/zinc/33/89/84/1003338984.db2.gz DUBUQGLUJDILCN-YKSBVNFPSA-N 2 0 424.589 3.604 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905475 1003342952 /nfs/dbraw/zinc/34/29/52/1003342952.db2.gz LEYYUIVXCMLXKI-HUVFLSCGSA-N 2 0 423.605 3.769 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508908399 1003348511 /nfs/dbraw/zinc/34/85/11/1003348511.db2.gz SIEJLVVCMLKVQS-QNWVGRARSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@]12CC3CC(C(=O)NCCC[NH+]4CCN(c5cc[nH+]cc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000500047836 1003381262 /nfs/dbraw/zinc/38/12/62/1003381262.db2.gz FGDZVKUTNHEMJM-CDRNTZKQSA-N 2 0 410.606 3.707 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508963061 1003426467 /nfs/dbraw/zinc/42/64/67/1003426467.db2.gz KNACLDYPHDNPDM-UHFFFAOYSA-N 2 0 422.598 3.595 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114968 1003476572 /nfs/dbraw/zinc/47/65/72/1003476572.db2.gz YTJPGFJHBREALZ-REHUZNOOSA-N 2 0 423.605 3.906 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039295 1003509152 /nfs/dbraw/zinc/50/91/52/1003509152.db2.gz PMFJMJFLIUTAAG-CEWLAPEOSA-N 2 0 407.002 3.849 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)c(C)c2)CC1 ZINC000500240950 1003575220 /nfs/dbraw/zinc/57/52/20/1003575220.db2.gz CICQKXQPFPHKRJ-UHFFFAOYSA-N 2 0 415.626 3.723 20 0 HHADRP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000500444590 1003722913 /nfs/dbraw/zinc/72/29/13/1003722913.db2.gz VAQQVDWLIIXLBX-UNMCSNQZSA-N 2 0 401.595 3.513 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000500725670 1003923560 /nfs/dbraw/zinc/92/35/60/1003923560.db2.gz QSLNPGLTUAGOMG-FQEVSTJZSA-N 2 0 401.599 3.523 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500780862 1003952280 /nfs/dbraw/zinc/95/22/80/1003952280.db2.gz SGUFQMCOOGBGDE-HXUWFJFHSA-N 2 0 415.626 3.840 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500830049 1003988018 /nfs/dbraw/zinc/98/80/18/1003988018.db2.gz FQJORNPGLOREDH-HXUWFJFHSA-N 2 0 401.599 3.594 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512150840 1004060169 /nfs/dbraw/zinc/06/01/69/1004060169.db2.gz WORDMKFJAYFDGV-QMWXCIFZSA-N 2 0 410.650 3.804 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000512152324 1004060710 /nfs/dbraw/zinc/06/07/10/1004060710.db2.gz MNORHSSNOBRKPX-PWGHIRGTSA-N 2 0 410.650 3.804 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177012 1004079806 /nfs/dbraw/zinc/07/98/06/1004079806.db2.gz BXDWWDDUJCTJKK-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180541 1004082995 /nfs/dbraw/zinc/08/29/95/1004082995.db2.gz ANSROLWCIYRSKA-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C[C@H](C)O1 ZINC000512183545 1004085472 /nfs/dbraw/zinc/08/54/72/1004085472.db2.gz UNWLVINLKYCQIM-ROUUACIJSA-N 2 0 402.970 3.847 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188416 1004090202 /nfs/dbraw/zinc/09/02/02/1004090202.db2.gz YIAHCEXIYJFNKK-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041403 1004142987 /nfs/dbraw/zinc/14/29/87/1004142987.db2.gz XRRHTDRNXUULFN-HXUWFJFHSA-N 2 0 420.601 3.986 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501059024 1004161512 /nfs/dbraw/zinc/16/15/12/1004161512.db2.gz MRUKFGVVFYTGBU-UHFFFAOYSA-N 2 0 424.589 3.791 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000512259761 1004161935 /nfs/dbraw/zinc/16/19/35/1004161935.db2.gz KIABPLBIFKGRHA-UHFFFAOYSA-N 2 0 415.622 3.638 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512268734 1004169276 /nfs/dbraw/zinc/16/92/76/1004169276.db2.gz TUVICOPUKMMQQM-CEXWTWQISA-N 2 0 400.567 3.701 20 0 HHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086234 1004192190 /nfs/dbraw/zinc/19/21/90/1004192190.db2.gz JQPQUJQINIOIJN-ABSDTBQOSA-N 2 0 410.965 3.646 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000509954580 1004229455 /nfs/dbraw/zinc/22/94/55/1004229455.db2.gz KDVXLAYZNRNNRI-UHFFFAOYSA-N 2 0 403.574 3.514 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172978 1004253605 /nfs/dbraw/zinc/25/36/05/1004253605.db2.gz JNSYTBJDUSLUMB-LEWJYISDSA-N 2 0 400.592 3.705 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393807 1004266913 /nfs/dbraw/zinc/26/69/13/1004266913.db2.gz VYNVOJOFMCWRGE-MZYLBHOOSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000510042507 1004284746 /nfs/dbraw/zinc/28/47/46/1004284746.db2.gz HAKLXABMLLTBAX-WOJBJXKFSA-N 2 0 414.550 3.763 20 0 HHADRP CC[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501357181 1004364434 /nfs/dbraw/zinc/36/44/34/1004364434.db2.gz JNDKOVUHKMYTCQ-PKTZIBPZSA-N 2 0 412.553 3.565 20 0 HHADRP CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375359 1004375721 /nfs/dbraw/zinc/37/57/21/1004375721.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 2 0 400.611 3.635 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCC1 ZINC000501388985 1004385016 /nfs/dbraw/zinc/38/50/16/1004385016.db2.gz PRCXBPKJWDIZCC-FCHUYYIVSA-N 2 0 416.610 3.642 20 0 HHADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512588818 1004404227 /nfs/dbraw/zinc/40/42/27/1004404227.db2.gz YZFWUOPIISVYPC-FQEVSTJZSA-N 2 0 414.638 3.590 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436319 /nfs/dbraw/zinc/43/63/19/1004436319.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 2 0 419.613 3.909 20 0 HHADRP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634556 1004446812 /nfs/dbraw/zinc/44/68/12/1004446812.db2.gz DOCRSMKSXKJTKE-QLBJFCOMSA-N 2 0 421.585 3.544 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646886 1004458251 /nfs/dbraw/zinc/45/82/51/1004458251.db2.gz DXVFLLNVKUKELA-QLBJFCOMSA-N 2 0 419.617 3.953 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000512660377 1004471260 /nfs/dbraw/zinc/47/12/60/1004471260.db2.gz MMXMTQDTWSAZBU-RKVUVZGQSA-N 2 0 411.634 3.842 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501503363 1004472293 /nfs/dbraw/zinc/47/22/93/1004472293.db2.gz PCMKDLWAZSPFBJ-ROUUACIJSA-N 2 0 407.002 3.724 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661847 1004472855 /nfs/dbraw/zinc/47/28/55/1004472855.db2.gz USGQVUBHTVRHEZ-RJGXRXQPSA-N 2 0 419.569 3.692 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)(N2CCCCC2)CC1 ZINC000512662578 1004473167 /nfs/dbraw/zinc/47/31/67/1004473167.db2.gz YPOKUVOUKHJUAF-UODIDJSMSA-N 3 0 424.677 3.827 20 0 HHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000512687055 1004493849 /nfs/dbraw/zinc/49/38/49/1004493849.db2.gz LSWPXHKICAGUON-GOTSBHOMSA-N 2 0 400.655 3.635 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510343707 1004495282 /nfs/dbraw/zinc/49/52/82/1004495282.db2.gz UEROMQHZDDSMPU-XXDDBKGRSA-N 2 0 400.611 3.707 20 0 HHADRP COc1ccc(NC(=O)CC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501535244 1004498686 /nfs/dbraw/zinc/49/86/86/1004498686.db2.gz FXZWKELZVNTUPJ-UHFFFAOYSA-N 2 0 416.953 3.921 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512708690 1004508858 /nfs/dbraw/zinc/50/88/58/1004508858.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000510378592 1004522125 /nfs/dbraw/zinc/52/21/25/1004522125.db2.gz OXEKBXYCPNGCHW-RUZDIDTESA-N 2 0 422.617 3.511 20 0 HHADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[NH+]1CCCCCC1 ZINC000510491499 1004609830 /nfs/dbraw/zinc/60/98/30/1004609830.db2.gz ONJWHXQSWBTGLD-OAQYLSRUSA-N 2 0 421.589 3.607 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501706787 1004626678 /nfs/dbraw/zinc/62/66/78/1004626678.db2.gz CTCNXURMEAMONF-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525341 1004654540 /nfs/dbraw/zinc/65/45/40/1004654540.db2.gz MWAPZZQVBROGHV-AAIMPIBUSA-N 2 0 400.611 3.804 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512906721 1004676454 /nfs/dbraw/zinc/67/64/54/1004676454.db2.gz IFZCXNXUHFTVEJ-HSZRJFAPSA-N 2 0 416.610 3.594 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501753790 1004683362 /nfs/dbraw/zinc/68/33/62/1004683362.db2.gz GLTLQKQWWPKNRI-DEOSSOPVSA-N 2 0 406.574 3.571 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501779910 1004719022 /nfs/dbraw/zinc/71/90/22/1004719022.db2.gz ZLLQTEGFWIXBLS-HNNXBMFYSA-N 2 0 401.473 3.966 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823776 1004759298 /nfs/dbraw/zinc/75/92/98/1004759298.db2.gz GQMUHIXPHVUECL-FUPPJEDESA-N 2 0 400.611 3.881 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc32)(N2CCCCC2)CC1 ZINC000510667872 1004789574 /nfs/dbraw/zinc/78/95/74/1004789574.db2.gz IKNONBSZWJWWBA-HXUWFJFHSA-N 2 0 406.412 3.976 20 0 HHADRP Cn1c2ccc(C[NH2+]CCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2oc1=O ZINC000510692950 1004801046 /nfs/dbraw/zinc/80/10/46/1004801046.db2.gz KNNXQPDIHQEADS-UHFFFAOYSA-N 2 0 407.558 3.956 20 0 HHADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000513092771 1004801185 /nfs/dbraw/zinc/80/11/85/1004801185.db2.gz RHMWRLNOXQSBAY-UHFFFAOYSA-N 2 0 417.601 3.868 20 0 HHADRP Fc1cccc(Cl)c1CN1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000513226162 1004870209 /nfs/dbraw/zinc/87/02/09/1004870209.db2.gz HPAXDCYROQBQBV-QGZVFWFLSA-N 2 0 409.977 3.534 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000513346428 1004921506 /nfs/dbraw/zinc/92/15/06/1004921506.db2.gz VBQOLSVKAFZSAB-GGAORHGYSA-N 2 0 400.611 3.615 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000513356787 1004924823 /nfs/dbraw/zinc/92/48/23/1004924823.db2.gz IHLQCMPYQVUPHN-WMZHIEFXSA-N 2 0 402.627 3.860 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397652 1004943048 /nfs/dbraw/zinc/94/30/48/1004943048.db2.gz MTDIWJOTHZXMKC-RTWAWAEBSA-N 2 0 405.533 3.621 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000513400413 1004944750 /nfs/dbraw/zinc/94/47/50/1004944750.db2.gz YAUQZHBYZTTXAV-HSZRJFAPSA-N 2 0 424.585 3.832 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000513449680 1004971886 /nfs/dbraw/zinc/97/18/86/1004971886.db2.gz ZKBQZKNQHFGMKK-LAUBAEHRSA-N 2 0 401.348 3.793 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)CC1 ZINC000513452729 1004973460 /nfs/dbraw/zinc/97/34/60/1004973460.db2.gz ZXPZPPJMWROVIR-QHCPKHFHSA-N 2 0 409.622 3.690 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000513486404 1004986608 /nfs/dbraw/zinc/98/66/08/1004986608.db2.gz YBVINFAHBMTQSY-LJQANCHMSA-N 2 0 418.379 3.921 20 0 HHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000502281408 1004991959 /nfs/dbraw/zinc/99/19/59/1004991959.db2.gz IBOGTVBKAUBTSJ-IBGZPJMESA-N 2 0 412.574 3.690 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[C@H](c2ccccc2)C1 ZINC000513518439 1005001881 /nfs/dbraw/zinc/00/18/81/1005001881.db2.gz MKAUERKACIWYRE-FTJBHMTQSA-N 2 0 415.585 3.729 20 0 HHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000511136420 1005038991 /nfs/dbraw/zinc/03/89/91/1005038991.db2.gz ACLHKYUOQFZCMV-INIZCTEOSA-N 2 0 407.480 3.884 20 0 HHADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511209995 1005075415 /nfs/dbraw/zinc/07/54/15/1005075415.db2.gz YBOSEQLLFTXRIK-HSZRJFAPSA-N 2 0 409.599 3.630 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513689330 1005082941 /nfs/dbraw/zinc/08/29/41/1005082941.db2.gz BNKAXWREKHJYFT-BBWFWOEESA-N 2 0 402.560 3.995 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000513707959 1005090650 /nfs/dbraw/zinc/09/06/50/1005090650.db2.gz KVFMEDNQOQCZFO-UHFFFAOYSA-N 2 0 401.501 3.727 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250502 1005091118 /nfs/dbraw/zinc/09/11/18/1005091118.db2.gz NKQJUYCEBXQKRL-IRLDBZIGSA-N 2 0 400.611 3.721 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250505 1005091135 /nfs/dbraw/zinc/09/11/35/1005091135.db2.gz NKQJUYCEBXQKRL-UNMCSNQZSA-N 2 0 400.611 3.721 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000513712200 1005092354 /nfs/dbraw/zinc/09/23/54/1005092354.db2.gz AKOUEKVOEYRWBZ-OAQYLSRUSA-N 2 0 404.562 3.520 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267526 1005098588 /nfs/dbraw/zinc/09/85/88/1005098588.db2.gz IWNNZVORNUTGHO-UYAOXDASSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268189 1005099076 /nfs/dbraw/zinc/09/90/76/1005099076.db2.gz VOWKIQITSHKIMH-CTNGQTDRSA-N 2 0 413.610 3.592 20 0 HHADRP C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309473 1005119193 /nfs/dbraw/zinc/11/91/93/1005119193.db2.gz ROGPGFFSLFBEPV-GGAORHGYSA-N 2 0 414.638 3.845 20 0 HHADRP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819563 1005143822 /nfs/dbraw/zinc/14/38/22/1005143822.db2.gz ZFWHXZFDGIWDFD-VWLOTQADSA-N 2 0 424.585 3.528 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000511376114 1005146353 /nfs/dbraw/zinc/14/63/53/1005146353.db2.gz GDKARSCEBHRVHQ-PKTZIBPZSA-N 2 0 401.982 3.953 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797248 1005222032 /nfs/dbraw/zinc/22/20/32/1005222032.db2.gz UNPSDIOWUAMYNL-GMAHTHKFSA-N 2 0 422.617 3.980 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000502801622 1005223844 /nfs/dbraw/zinc/22/38/44/1005223844.db2.gz ILIAYZULEIRTRJ-UHFFFAOYSA-N 2 0 400.611 3.635 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514013269 1005228320 /nfs/dbraw/zinc/22/83/20/1005228320.db2.gz LWRRKUDRPNITBG-JOCHJYFZSA-N 2 0 400.611 3.710 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000502831026 1005236426 /nfs/dbraw/zinc/23/64/26/1005236426.db2.gz PRFVACMHTGNCPJ-QHCPKHFHSA-N 2 0 416.610 3.643 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)CC1 ZINC000502831807 1005236878 /nfs/dbraw/zinc/23/68/78/1005236878.db2.gz RDDVVAQXLFLCBK-LZBANZJXSA-N 2 0 404.574 3.771 20 0 HHADRP Cc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000511622254 1005248567 /nfs/dbraw/zinc/24/85/67/1005248567.db2.gz CVTJBPOUXONPMS-UHFFFAOYSA-N 2 0 411.537 3.512 20 0 HHADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086549 1005259395 /nfs/dbraw/zinc/25/93/95/1005259395.db2.gz BEYQFDZQSZNIMS-HVXMAHFMSA-N 2 0 409.977 3.703 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000514094343 1005262466 /nfs/dbraw/zinc/26/24/66/1005262466.db2.gz KNKGOWXYXKPOGN-GMAHTHKFSA-N 2 0 415.626 3.590 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514094342 1005262668 /nfs/dbraw/zinc/26/26/68/1005262668.db2.gz KNKGOWXYXKPOGN-GGAORHGYSA-N 2 0 415.626 3.590 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000514175782 1005299206 /nfs/dbraw/zinc/29/92/06/1005299206.db2.gz FTPVIYVBSUOWCL-UXHICEINSA-N 2 0 400.592 3.796 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000514244395 1005330376 /nfs/dbraw/zinc/33/03/76/1005330376.db2.gz HJQJGRDFMPHEMU-OAQYLSRUSA-N 2 0 407.002 3.898 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503416835 1005414050 /nfs/dbraw/zinc/41/40/50/1005414050.db2.gz AUPLLXCLBXPTBS-XPNTWCBSSA-N 2 0 414.638 3.607 20 0 HHADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462725 1005427697 /nfs/dbraw/zinc/42/76/97/1005427697.db2.gz BHZLPXYWFXNTPC-ZEQRLZLVSA-N 2 0 414.638 3.751 20 0 HHADRP C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000503895754 1005506549 /nfs/dbraw/zinc/50/65/49/1005506549.db2.gz WWWDQISIRMYSTH-HYBUGGRVSA-N 2 0 405.542 3.881 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000503957842 1005519217 /nfs/dbraw/zinc/51/92/17/1005519217.db2.gz AUJTVWAIAQSXAT-OYRHEFFESA-N 2 0 418.626 3.556 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174511 1005566812 /nfs/dbraw/zinc/56/68/12/1005566812.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 2 0 406.574 3.739 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531204103 1006044844 /nfs/dbraw/zinc/04/48/44/1006044844.db2.gz LYMJCNBNSHUTNN-OAQYLSRUSA-N 2 0 406.574 3.729 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531442402 1006199246 /nfs/dbraw/zinc/19/92/46/1006199246.db2.gz NXWUANRKCIXLQK-UHFFFAOYSA-N 2 0 410.562 3.966 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[NH+]1CCCC1 ZINC000531445989 1006202281 /nfs/dbraw/zinc/20/22/81/1006202281.db2.gz CNAGZKGDGOTQNG-HSZRJFAPSA-N 2 0 422.573 3.568 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248770 1006256273 /nfs/dbraw/zinc/25/62/73/1006256273.db2.gz ACPJUXPNRJEORY-OQRYQMPQSA-N 2 0 424.992 3.844 20 0 HHADRP CCOc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1OCc1ccccc1 ZINC000531610006 1006304835 /nfs/dbraw/zinc/30/48/35/1006304835.db2.gz FCCHTOINKZYGNE-UHFFFAOYSA-N 2 0 412.574 3.989 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000531645490 1006325346 /nfs/dbraw/zinc/32/53/46/1006325346.db2.gz AINPNRUZUKWUQV-UHFFFAOYSA-N 2 0 401.595 3.676 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715214 1006373965 /nfs/dbraw/zinc/37/39/65/1006373965.db2.gz ABCQMOUJVSHVRF-VKJFTORMSA-N 2 0 401.414 3.879 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408909 1006384439 /nfs/dbraw/zinc/38/44/39/1006384439.db2.gz FBBHZMWNRFFNTQ-RBBKRZOGSA-N 2 0 423.523 3.631 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534441191 1006418610 /nfs/dbraw/zinc/41/86/10/1006418610.db2.gz DKRDPVJDRWCOMO-VIZSFHNOSA-N 2 0 412.622 3.516 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000515378951 1006427338 /nfs/dbraw/zinc/42/73/38/1006427338.db2.gz YRDNHZXPUULCAE-UHFFFAOYSA-N 2 0 423.605 3.910 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cccc(N2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000531851300 1006472287 /nfs/dbraw/zinc/47/22/87/1006472287.db2.gz TYJRSTPEBIULOZ-UHFFFAOYSA-N 2 0 406.574 3.634 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000531851835 1006473177 /nfs/dbraw/zinc/47/31/77/1006473177.db2.gz ZZRIZKLKGJOKKU-UHFFFAOYSA-N 2 0 407.606 3.892 20 0 HHADRP Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)cn2)n1 ZINC000531851453 1006473231 /nfs/dbraw/zinc/47/32/31/1006473231.db2.gz UOQMCBVYEDJXRZ-UHFFFAOYSA-N 2 0 418.589 3.704 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC000531863543 1006483667 /nfs/dbraw/zinc/48/36/67/1006483667.db2.gz NDFOBJQDGPKCHJ-UHFFFAOYSA-N 2 0 408.546 3.766 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000531940292 1006533296 /nfs/dbraw/zinc/53/32/96/1006533296.db2.gz GSZVTUZKJUTWBX-OAQYLSRUSA-N 2 0 421.589 3.592 20 0 HHADRP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n(-c2ccccc2)n1 ZINC000515677236 1006584023 /nfs/dbraw/zinc/58/40/23/1006584023.db2.gz QOWOHZDABLLWNW-HSZRJFAPSA-N 2 0 416.569 3.891 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188568 1006707305 /nfs/dbraw/zinc/70/73/05/1006707305.db2.gz QRUNKYWQHHKFBO-GHTZIAJQSA-N 2 0 424.618 3.585 20 0 HHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(C)c1 ZINC000532188773 1006707669 /nfs/dbraw/zinc/70/76/69/1006707669.db2.gz XZVLAHKKFHQLGJ-TZIWHRDSSA-N 2 0 414.619 3.660 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000515832556 1006707737 /nfs/dbraw/zinc/70/77/37/1006707737.db2.gz ABZRUFULQCZOBV-HSZRJFAPSA-N 2 0 409.574 3.802 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000515841431 1006712382 /nfs/dbraw/zinc/71/23/82/1006712382.db2.gz WECGTAYLQKUJIT-OAQYLSRUSA-N 2 0 404.599 3.960 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000515842072 1006712591 /nfs/dbraw/zinc/71/25/91/1006712591.db2.gz SHTJALNCQJVUHF-QHCPKHFHSA-N 2 0 414.569 3.764 20 0 HHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225489 1006733304 /nfs/dbraw/zinc/73/33/04/1006733304.db2.gz XXNKJCKHMKENPH-ZJSXRUAMSA-N 2 0 407.558 3.560 20 0 HHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269717 1006759039 /nfs/dbraw/zinc/75/90/39/1006759039.db2.gz SQQYAWFWZJGONC-UXHICEINSA-N 2 0 422.495 3.749 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000532296053 1006778446 /nfs/dbraw/zinc/77/84/46/1006778446.db2.gz RUCFDDMAXGNGJE-JOCHJYFZSA-N 2 0 422.617 3.843 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532373972 1006830013 /nfs/dbraw/zinc/83/00/13/1006830013.db2.gz JLAHFHQXSVNOJG-UHFFFAOYSA-N 2 0 403.954 3.639 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450570 1006893407 /nfs/dbraw/zinc/89/34/07/1006893407.db2.gz UMHYHMWMLSPYJJ-LQWHRVPQSA-N 2 0 412.544 3.536 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450572 1006893820 /nfs/dbraw/zinc/89/38/20/1006893820.db2.gz UMHYHMWMLSPYJJ-OPYAIIAOSA-N 2 0 412.544 3.536 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000538638728 1006909004 /nfs/dbraw/zinc/90/90/04/1006909004.db2.gz MLTQOOGAMNKSBY-SFHVURJKSA-N 2 0 400.485 3.829 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000532494587 1006936993 /nfs/dbraw/zinc/93/69/93/1006936993.db2.gz MGCCXRUPLKBLEQ-QGZVFWFLSA-N 2 0 403.368 3.707 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534962177 1007010705 /nfs/dbraw/zinc/01/07/05/1007010705.db2.gz NSZDNZDHXAFVLE-HSZRJFAPSA-N 2 0 412.622 3.805 20 0 HHADRP O[C@H](COCc1cccs1)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965418 1007016483 /nfs/dbraw/zinc/01/64/83/1007016483.db2.gz UVTIJVPCFBKKCP-NRFANRHFSA-N 2 0 400.588 3.614 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333300 1007023436 /nfs/dbraw/zinc/02/34/36/1007023436.db2.gz PPNVWFLDAGEPAU-UPVQGACJSA-N 2 0 424.589 3.502 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991203 1007051273 /nfs/dbraw/zinc/05/12/73/1007051273.db2.gz CLBLDTBDCKSYGA-OXFYSEKESA-N 2 0 410.965 3.503 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000535006103 1007062563 /nfs/dbraw/zinc/06/25/63/1007062563.db2.gz JZNRFLZYUQTOJC-UHFFFAOYSA-N 2 0 422.013 3.813 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089649 1007103031 /nfs/dbraw/zinc/10/30/31/1007103031.db2.gz STPMTWGKKNIADQ-ICDZXHCJSA-N 2 0 421.585 3.641 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000538874724 1007153859 /nfs/dbraw/zinc/15/38/59/1007153859.db2.gz YBBORXMXUWNFRE-NRFANRHFSA-N 2 0 416.009 3.984 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1)CC1CC1 ZINC000538914501 1007198741 /nfs/dbraw/zinc/19/87/41/1007198741.db2.gz HETFRUISONYYJZ-UHFFFAOYSA-N 2 0 418.601 3.931 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000538917908 1007202779 /nfs/dbraw/zinc/20/27/79/1007202779.db2.gz MXKAHUQEYPRQOX-CQSZACIVSA-N 2 0 407.411 3.612 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058971 1007352952 /nfs/dbraw/zinc/35/29/52/1007352952.db2.gz BABDVQJLRMRJEZ-GNOCETLISA-N 2 0 417.500 3.528 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986595 1007357753 /nfs/dbraw/zinc/35/77/53/1007357753.db2.gz FYULQXUKZDEANX-QZNHQXDQSA-N 2 0 422.617 3.506 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000539096659 1007386273 /nfs/dbraw/zinc/38/62/73/1007386273.db2.gz KRETZLOZUSGSSX-UHFFFAOYSA-N 2 0 411.512 3.874 20 0 HHADRP CCC1(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533127635 1007469004 /nfs/dbraw/zinc/46/90/04/1007469004.db2.gz ISRVQCWYSOFWKN-QFIPXVFZSA-N 2 0 400.611 3.708 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226232 1007512121 /nfs/dbraw/zinc/51/21/21/1007512121.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 2 0 406.618 3.790 20 0 HHADRP CSC1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH+](C)CC1 ZINC000517265202 1007527355 /nfs/dbraw/zinc/52/73/55/1007527355.db2.gz RQPMRCYTXZZGLF-UHFFFAOYSA-N 2 0 409.340 3.968 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)c2)C1 ZINC000533252900 1007571879 /nfs/dbraw/zinc/57/18/79/1007571879.db2.gz RNVIBMNJBRLZEH-SFHVURJKSA-N 2 0 423.454 3.832 20 0 HHADRP COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288809 1007601366 /nfs/dbraw/zinc/60/13/66/1007601366.db2.gz CGYSAJRZGXKONQ-IFMALSPDSA-N 2 0 421.585 3.654 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539306336 1007603782 /nfs/dbraw/zinc/60/37/82/1007603782.db2.gz SHIOUOGQAGKQED-BEFAXECRSA-N 2 0 412.441 3.849 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517490489 1007714892 /nfs/dbraw/zinc/71/48/92/1007714892.db2.gz INKYDFJPDJPJEY-JOCHJYFZSA-N 2 0 404.574 3.744 20 0 HHADRP CC(C)[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700545 1007737164 /nfs/dbraw/zinc/73/71/64/1007737164.db2.gz LUUHTQVREJEQKN-YLJYHZDGSA-N 2 0 412.981 3.890 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700516 1007737406 /nfs/dbraw/zinc/73/74/06/1007737406.db2.gz NAZBWOMAJNEIKU-YLJYHZDGSA-N 2 0 424.992 3.988 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000517659609 1007871906 /nfs/dbraw/zinc/87/19/06/1007871906.db2.gz WWISGYUNCFVPFG-QFIPXVFZSA-N 2 0 410.562 3.803 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628810 1007945583 /nfs/dbraw/zinc/94/55/83/1007945583.db2.gz VSSQWIGXXVRTOT-LVXARBLLSA-N 2 0 419.617 3.936 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884056 1008028569 /nfs/dbraw/zinc/02/85/69/1008028569.db2.gz XPEWMOYKTXBXTH-UXHICEINSA-N 2 0 406.640 3.941 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000517889970 1008034136 /nfs/dbraw/zinc/03/41/36/1008034136.db2.gz HJWFCHXCUZDTMP-YADHBBJMSA-N 2 0 416.610 3.642 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000517899068 1008045617 /nfs/dbraw/zinc/04/56/17/1008045617.db2.gz GTJWQKFPVHZJIG-IBGZPJMESA-N 2 0 420.001 3.574 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)C2)CC1 ZINC000533767328 1008092462 /nfs/dbraw/zinc/09/24/62/1008092462.db2.gz RVAMUEVOIXAXNG-IRLDBZIGSA-N 2 0 419.013 3.850 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000533810196 1008127976 /nfs/dbraw/zinc/12/79/76/1008127976.db2.gz FYOUJZZLACYCIH-QFIPXVFZSA-N 2 0 416.997 3.586 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000539849272 1008138100 /nfs/dbraw/zinc/13/81/00/1008138100.db2.gz DETNUAOXINYBEO-UHFFFAOYSA-N 2 0 407.628 3.793 20 0 HHADRP CCCCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OC ZINC000539863392 1008148473 /nfs/dbraw/zinc/14/84/73/1008148473.db2.gz ZOAAFBPBDWIYLT-JOCHJYFZSA-N 2 0 403.611 3.865 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1CCC(F)(F)F ZINC000533891038 1008184624 /nfs/dbraw/zinc/18/46/24/1008184624.db2.gz ATRYAIQLNBBRMK-UHFFFAOYSA-N 2 0 420.479 3.519 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893436 1008186935 /nfs/dbraw/zinc/18/69/35/1008186935.db2.gz WMZXCTFGGUXMOZ-VXKWHMMOSA-N 2 0 412.603 3.705 20 0 HHADRP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000539946199 1008199294 /nfs/dbraw/zinc/19/92/94/1008199294.db2.gz JEAVJMHWGANVSN-OAQYLSRUSA-N 2 0 423.605 3.850 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000533927963 1008210825 /nfs/dbraw/zinc/21/08/25/1008210825.db2.gz KOVFZFXPXSJRNB-XZOQPEGZSA-N 2 0 410.537 3.535 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000533927959 1008210948 /nfs/dbraw/zinc/21/09/48/1008210948.db2.gz KOVFZFXPXSJRNB-GOTSBHOMSA-N 2 0 410.537 3.535 20 0 HHADRP CC(C)[C@H](CCc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000518224608 1008212736 /nfs/dbraw/zinc/21/27/36/1008212736.db2.gz YDQPCVYADITUQN-DEOSSOPVSA-N 2 0 408.590 3.615 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000540014417 1008237874 /nfs/dbraw/zinc/23/78/74/1008237874.db2.gz GFEYKMVVRZSUSD-HSZRJFAPSA-N 2 0 415.626 3.840 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044088 1008253206 /nfs/dbraw/zinc/25/32/06/1008253206.db2.gz PXOBLBURDWLRLL-SFHVURJKSA-N 2 0 414.981 3.978 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)ccn1 ZINC000540142487 1008309444 /nfs/dbraw/zinc/30/94/44/1008309444.db2.gz HDUNPHOKBWUNAT-GOSISDBHSA-N 2 0 420.351 3.788 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540161527 1008317174 /nfs/dbraw/zinc/31/71/74/1008317174.db2.gz QURJZGSNTDDBQG-WTOYTKOKSA-N 2 0 402.583 3.589 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000540166345 1008318884 /nfs/dbraw/zinc/31/88/84/1008318884.db2.gz BSIAYKVNKGJMAY-APWZRJJASA-N 2 0 406.958 3.659 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000540171476 1008321247 /nfs/dbraw/zinc/32/12/47/1008321247.db2.gz XWKDEAFYOZHLMV-HXUWFJFHSA-N 2 0 417.557 3.549 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000540171896 1008321624 /nfs/dbraw/zinc/32/16/24/1008321624.db2.gz GLINUQJUWBDNGF-IKGGRYGDSA-N 2 0 415.500 3.902 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540172246 1008321740 /nfs/dbraw/zinc/32/17/40/1008321740.db2.gz VTYSJLLPQXYXPJ-MRXNPFEDSA-N 2 0 423.586 3.656 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000540187190 1008327639 /nfs/dbraw/zinc/32/76/39/1008327639.db2.gz VENOIAZNMUURIQ-DENIHFKCSA-N 2 0 402.579 3.804 20 0 HHADRP CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540317776 1008377152 /nfs/dbraw/zinc/37/71/52/1008377152.db2.gz FOQZQXOECZVBTM-OAQYLSRUSA-N 2 0 400.567 3.770 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000540396676 1008415649 /nfs/dbraw/zinc/41/56/49/1008415649.db2.gz AOBOOMPWPKLEIN-FQEVSTJZSA-N 2 0 419.573 3.944 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468381 1008443152 /nfs/dbraw/zinc/44/31/52/1008443152.db2.gz NHMKHKBFFBZPOY-BJKOFHAPSA-N 2 0 421.585 3.638 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCc1cc(F)cc3c1OCOC3)c1ccccc1O2 ZINC000540495717 1008455444 /nfs/dbraw/zinc/45/54/44/1008455444.db2.gz GJGJLVBSLUECSV-NRFANRHFSA-N 2 0 412.505 3.813 20 0 HHADRP FC(F)(F)c1ccccc1OCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000518893187 1008461967 /nfs/dbraw/zinc/46/19/67/1008461967.db2.gz HLFSWJJCZGTQMA-UHFFFAOYSA-N 2 0 400.485 3.909 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000519304997 1008717180 /nfs/dbraw/zinc/71/71/80/1008717180.db2.gz ZLEUIRAANWDQLP-OAQYLSRUSA-N 2 0 412.578 3.799 20 0 HHADRP NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000543160824 1008733469 /nfs/dbraw/zinc/73/34/69/1008733469.db2.gz BMUVFBDUXAIMHV-NRFANRHFSA-N 2 0 419.491 3.878 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000519669029 1008952825 /nfs/dbraw/zinc/95/28/25/1008952825.db2.gz CFXCMVCLDSJFDK-CYBMUJFWSA-N 2 0 408.306 3.584 20 0 HHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862932 1009039404 /nfs/dbraw/zinc/03/94/04/1009039404.db2.gz JEAAZKMLSRZTJV-REWPJTCUSA-N 2 0 407.558 3.560 20 0 HHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862929 1009040198 /nfs/dbraw/zinc/04/01/98/1009040198.db2.gz JEAAZKMLSRZTJV-NZQKXSOJSA-N 2 0 407.558 3.560 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453471 1009044309 /nfs/dbraw/zinc/04/43/09/1009044309.db2.gz CKSUFZBWSHCMFO-SFTDATJTSA-N 2 0 400.954 3.516 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000543603669 1009208977 /nfs/dbraw/zinc/20/89/77/1009208977.db2.gz JVICSMQGMSJGPA-JWQCQUIFSA-N 2 0 401.558 3.534 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000543639403 1009243197 /nfs/dbraw/zinc/24/31/97/1009243197.db2.gz ITULZIVSARFXLX-VQTJNVASSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268150 /nfs/dbraw/zinc/26/81/50/1009268150.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 2 0 403.586 3.912 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000520215331 1009346953 /nfs/dbraw/zinc/34/69/53/1009346953.db2.gz BVWZCDLNUPQPLG-HXUWFJFHSA-N 2 0 407.002 3.993 20 0 HHADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2(C[NH+](C)[C@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859941 1009426201 /nfs/dbraw/zinc/42/62/01/1009426201.db2.gz KURIAZDCAZAZHE-MYGLTJDJSA-N 2 0 420.638 3.562 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000549844108 1009459953 /nfs/dbraw/zinc/45/99/53/1009459953.db2.gz CTPVGWHUACMLEK-QHCPKHFHSA-N 2 0 412.622 3.806 20 0 HHADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000544041171 1009642995 /nfs/dbraw/zinc/64/29/95/1009642995.db2.gz ABTQMTCBPTUKFF-BVYCBKJFSA-N 2 0 414.594 3.551 20 0 HHADRP COc1cccc(NC(=O)[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000520674032 1009745669 /nfs/dbraw/zinc/74/56/69/1009745669.db2.gz XJZUDIPCWICGSN-NRFANRHFSA-N 2 0 413.587 3.792 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708482 1009775158 /nfs/dbraw/zinc/77/51/58/1009775158.db2.gz WGWHGIHZGVANCY-UGKGYDQZSA-N 2 0 414.594 3.538 20 0 HHADRP c1cnn(-c2ccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262862 1009814105 /nfs/dbraw/zinc/81/41/05/1009814105.db2.gz APRAMHDLGAUDTH-DEOSSOPVSA-N 2 0 416.569 3.891 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000520793350 1009861957 /nfs/dbraw/zinc/86/19/57/1009861957.db2.gz YLGWRBWJXQJRIH-IBGZPJMESA-N 2 0 414.594 3.584 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000550409732 1009916964 /nfs/dbraw/zinc/91/69/64/1009916964.db2.gz XHBKUEUCUSVJPA-UHFFFAOYSA-N 2 0 411.993 3.577 20 0 HHADRP C[C@H](CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000544330577 1009953900 /nfs/dbraw/zinc/95/39/00/1009953900.db2.gz MAXIOLPFRCAWNX-JOCHJYFZSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H](CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000544330578 1009954313 /nfs/dbraw/zinc/95/43/13/1009954313.db2.gz MAXIOLPFRCAWNX-QFIPXVFZSA-N 2 0 412.622 3.949 20 0 HHADRP C[N@H+](CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000520905953 1009960801 /nfs/dbraw/zinc/96/08/01/1009960801.db2.gz NBYQZQCOYJMWRV-UHFFFAOYSA-N 2 0 401.982 3.859 20 0 HHADRP Fc1ccc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)c(F)c1 ZINC000544358904 1009984748 /nfs/dbraw/zinc/98/47/48/1009984748.db2.gz FZJBQZFSNPIEAC-DEOSSOPVSA-N 2 0 423.511 3.646 20 0 HHADRP CC1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000544370553 1009998988 /nfs/dbraw/zinc/99/89/88/1009998988.db2.gz GXOVPUFXQZJFIA-UHFFFAOYSA-N 2 0 415.647 3.767 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000521062634 1010081683 /nfs/dbraw/zinc/08/16/83/1010081683.db2.gz PZUKORFUXJPUBC-FQEVSTJZSA-N 2 0 418.969 3.843 20 0 HHADRP CCCOc1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1OCC ZINC000544595160 1010221504 /nfs/dbraw/zinc/22/15/04/1010221504.db2.gz QDQGSODKBQGHGZ-UHFFFAOYSA-N 2 0 403.611 3.724 20 0 HHADRP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000550888117 1010242802 /nfs/dbraw/zinc/24/28/02/1010242802.db2.gz YVDOAJRAQNZBDI-GOTSBHOMSA-N 2 0 406.636 3.667 20 0 HHADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000550888119 1010242884 /nfs/dbraw/zinc/24/28/84/1010242884.db2.gz YVDOAJRAQNZBDI-XZOQPEGZSA-N 2 0 406.636 3.667 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000544622802 1010246177 /nfs/dbraw/zinc/24/61/77/1010246177.db2.gz UEIJPOCTXQQMEZ-UXHICEINSA-N 2 0 400.611 3.790 20 0 HHADRP CN1CC[C@H](NC(=O)NCc2ccccc2Cn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000550960617 1010281201 /nfs/dbraw/zinc/28/12/01/1010281201.db2.gz GVWYQGVDBNGDPR-FCHUYYIVSA-N 2 0 423.948 3.829 20 0 HHADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000544687071 1010300624 /nfs/dbraw/zinc/30/06/24/1010300624.db2.gz NWWITMYECNRLSG-UHFFFAOYSA-N 2 0 420.479 3.903 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323083 1010305520 /nfs/dbraw/zinc/30/55/20/1010305520.db2.gz AZWYLHOUKAZQQN-GOTSBHOMSA-N 2 0 400.611 3.708 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000551262907 1010479862 /nfs/dbraw/zinc/47/98/62/1010479862.db2.gz CHDHTWJEOFGTIK-UHFFFAOYSA-N 2 0 424.589 3.611 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000551282581 1010492362 /nfs/dbraw/zinc/49/23/62/1010492362.db2.gz AFAMXWPSYVKKSH-IBGZPJMESA-N 2 0 422.573 3.994 20 0 HHADRP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000521779911 1010613196 /nfs/dbraw/zinc/61/31/96/1010613196.db2.gz LAOBBSWKBBTPJP-OAQYLSRUSA-N 2 0 421.589 3.604 20 0 HHADRP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548441713 1010628030 /nfs/dbraw/zinc/62/80/30/1010628030.db2.gz MQCFVPGTKFKVKO-RUZDIDTESA-N 2 0 420.601 3.957 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(Br)cs2)[C@@H](c2ccccc2)C1 ZINC000521819402 1010639603 /nfs/dbraw/zinc/63/96/03/1010639603.db2.gz DOMQQPXDDOATMP-LJQANCHMSA-N 2 0 408.409 3.979 20 0 HHADRP Brc1csc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000521819467 1010639794 /nfs/dbraw/zinc/63/97/94/1010639794.db2.gz KMHXYWKEAUODDI-UHFFFAOYSA-N 2 0 408.409 3.808 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000545189719 1010677907 /nfs/dbraw/zinc/67/79/07/1010677907.db2.gz WGSBXQQKQOILHH-FQRUVTKNSA-N 2 0 418.585 3.612 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551704229 1010749680 /nfs/dbraw/zinc/74/96/80/1010749680.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 2 0 422.617 3.911 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ncc(-c2ccccc2)s1 ZINC000522117801 1010821079 /nfs/dbraw/zinc/82/10/79/1010821079.db2.gz OMTZTGFAIRYXBZ-UHFFFAOYSA-N 2 0 422.558 3.539 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000522173916 1010847202 /nfs/dbraw/zinc/84/72/02/1010847202.db2.gz ANNFJYMQGCSWEW-QHCPKHFHSA-N 2 0 400.611 3.881 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000522310384 1010921743 /nfs/dbraw/zinc/92/17/43/1010921743.db2.gz OIJKBEJZHCPNQZ-OAQYLSRUSA-N 2 0 408.590 3.515 20 0 HHADRP CC(C)C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000522726465 1011180021 /nfs/dbraw/zinc/18/00/21/1011180021.db2.gz HNZBXRITOBYARP-HXUWFJFHSA-N 2 0 415.607 3.742 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000540594847 1011250728 /nfs/dbraw/zinc/25/07/28/1011250728.db2.gz GQULEZZFFCVURQ-MISYRCLQSA-N 2 0 411.512 3.750 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000522836686 1011274609 /nfs/dbraw/zinc/27/46/09/1011274609.db2.gz PABSFBNXPRBGNP-HXUWFJFHSA-N 2 0 424.589 3.976 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303003 1011492998 /nfs/dbraw/zinc/49/29/98/1011492998.db2.gz RLOGSXJCOZCSIF-UGSOOPFHSA-N 2 0 400.792 3.705 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130551 1011599516 /nfs/dbraw/zinc/59/95/16/1011599516.db2.gz GDPPRTVYPAHJMB-HBMCJLEFSA-N 2 0 400.611 3.694 20 0 HHADRP CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523134275 1011603457 /nfs/dbraw/zinc/60/34/57/1011603457.db2.gz WQUXBZLCXLTWNG-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccc(-c2ccc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)s2)o1 ZINC000540992333 1011625999 /nfs/dbraw/zinc/62/59/99/1011625999.db2.gz VJWUOPNSJYRYRK-UHFFFAOYSA-N 2 0 410.543 3.654 20 0 HHADRP C[C@H](O)C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536413836 1011627776 /nfs/dbraw/zinc/62/77/76/1011627776.db2.gz YEYAQBVRLKTVQI-AZUAARDMSA-N 2 0 401.982 3.736 20 0 HHADRP Cc1noc(C2CCC([NH2+]Cc3c(Cl)cccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000536418080 1011634047 /nfs/dbraw/zinc/63/40/47/1011634047.db2.gz MXURBYCXTDFKCV-UHFFFAOYSA-N 2 0 403.958 3.599 20 0 HHADRP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000541031930 1011666121 /nfs/dbraw/zinc/66/61/21/1011666121.db2.gz JORBYQKNSJTHHP-UGKGYDQZSA-N 2 0 404.599 3.928 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192403 1011678151 /nfs/dbraw/zinc/67/81/51/1011678151.db2.gz RMCIOSYEKWKHBS-ICSRJNTNSA-N 2 0 418.607 3.935 20 0 HHADRP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486621 1011699456 /nfs/dbraw/zinc/69/94/56/1011699456.db2.gz SLYVXGQGTAXTBO-JOCHJYFZSA-N 2 0 417.597 3.948 20 0 HHADRP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724939 1011896386 /nfs/dbraw/zinc/89/63/86/1011896386.db2.gz XIJVAYLLIATETK-CVDCTZTESA-N 2 0 422.573 3.648 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223512 1011897583 /nfs/dbraw/zinc/89/75/83/1011897583.db2.gz KJPMEQZTOIYWLQ-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000551815845 1011972804 /nfs/dbraw/zinc/97/28/04/1011972804.db2.gz DBVRCDXNGVCNIM-QFQXNSOFSA-N 2 0 423.601 3.711 20 0 HHADRP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032934 1012057557 /nfs/dbraw/zinc/05/75/57/1012057557.db2.gz CYAKTGTVYDLBDL-PZUNEJSGSA-N 2 0 421.585 3.592 20 0 HHADRP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552054894 1012073558 /nfs/dbraw/zinc/07/35/58/1012073558.db2.gz RXNIIWXYTMTWHC-NEWJYFPISA-N 2 0 407.606 3.669 20 0 HHADRP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552054893 1012073692 /nfs/dbraw/zinc/07/36/92/1012073692.db2.gz RXNIIWXYTMTWHC-NAVOZUGXSA-N 2 0 407.606 3.669 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1I ZINC000536855971 1012088264 /nfs/dbraw/zinc/08/82/64/1012088264.db2.gz DAAWMXWAPNAVGM-OAGGEKHMSA-N 2 0 416.347 3.831 20 0 HHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000536857985 1012090771 /nfs/dbraw/zinc/09/07/71/1012090771.db2.gz MWXWEKKOAXDAMN-QHCPKHFHSA-N 2 0 423.557 3.524 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000541474868 1012242850 /nfs/dbraw/zinc/24/28/50/1012242850.db2.gz NPOVHWQMSIGTQI-VWLOTQADSA-N 2 0 421.585 3.646 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000541474867 1012242983 /nfs/dbraw/zinc/24/29/83/1012242983.db2.gz NPOVHWQMSIGTQI-RUZDIDTESA-N 2 0 421.585 3.646 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000552247456 1012258322 /nfs/dbraw/zinc/25/83/22/1012258322.db2.gz PQMCOKCHXVTMFS-MOPGFXCFSA-N 2 0 422.552 3.960 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000523666449 1012261792 /nfs/dbraw/zinc/26/17/92/1012261792.db2.gz RYDKPVRFQOAKBT-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000552273055 1012286370 /nfs/dbraw/zinc/28/63/70/1012286370.db2.gz PSBGXERYZWQRRB-UHFFFAOYSA-N 2 0 424.589 3.551 20 0 HHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275962 1012290231 /nfs/dbraw/zinc/29/02/31/1012290231.db2.gz GJFQBCSQDFWQKK-UWNMQHKVSA-N 2 0 411.634 3.645 20 0 HHADRP C[C@@H](CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000541521960 1012303765 /nfs/dbraw/zinc/30/37/65/1012303765.db2.gz JNGQWFQOZHOUQP-FQEVSTJZSA-N 2 0 401.599 3.594 20 0 HHADRP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541535306 1012319369 /nfs/dbraw/zinc/31/93/69/1012319369.db2.gz WKFHKERFTPWSSM-QGZVFWFLSA-N 2 0 423.483 3.589 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000537146279 1012541012 /nfs/dbraw/zinc/54/10/12/1012541012.db2.gz ZNPOTFBRQQWHJX-QFIPXVFZSA-N 2 0 402.583 3.682 20 0 HHADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000537168062 1012570720 /nfs/dbraw/zinc/57/07/20/1012570720.db2.gz UAILAMPFDIABEF-YADHBBJMSA-N 2 0 409.574 3.876 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876591 1012572933 /nfs/dbraw/zinc/57/29/33/1012572933.db2.gz MISWDNNKHPEPRD-WCIQWLHISA-N 2 0 406.640 3.626 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCc1ccc3c(c1)OCCO3)c1ccccc1O2 ZINC000537192281 1012605143 /nfs/dbraw/zinc/60/51/43/1012605143.db2.gz XOQBQPRIFKYXHU-OAQYLSRUSA-N 2 0 408.542 3.968 20 0 HHADRP CC[NH+]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607524 1012609748 /nfs/dbraw/zinc/60/97/48/1012609748.db2.gz BCDWDIRLXQCCNV-FGZHOGPDSA-N 2 0 414.594 3.929 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000523939703 1012673641 /nfs/dbraw/zinc/67/36/41/1012673641.db2.gz YLLPTLDKKSOIBI-FGZHOGPDSA-N 2 0 410.562 3.861 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541812106 1012697468 /nfs/dbraw/zinc/69/74/68/1012697468.db2.gz CFFWYRLTSDVQFI-AWWSKVOZSA-N 2 0 400.611 3.515 20 0 HHADRP CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000523970677 1012715206 /nfs/dbraw/zinc/71/52/06/1012715206.db2.gz WBYWZBHYJTWMBB-UHFFFAOYSA-N 2 0 403.574 3.905 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000552787129 1012793187 /nfs/dbraw/zinc/79/31/87/1012793187.db2.gz PXZYVJLNPPUQOV-GOSISDBHSA-N 2 0 415.578 3.619 20 0 HHADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954087 1012940054 /nfs/dbraw/zinc/94/00/54/1012940054.db2.gz VHZZOVUVNHAKDV-FGZHOGPDSA-N 2 0 414.594 3.929 20 0 HHADRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542053280 1012964361 /nfs/dbraw/zinc/96/43/61/1012964361.db2.gz KWKYHRLDXNXVNY-ACVUGXNCSA-N 2 0 406.617 3.553 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](CCc4ccccc4)CC3)nc2)CC1 ZINC000537486823 1012997941 /nfs/dbraw/zinc/99/79/41/1012997941.db2.gz QPCYAFFOGSDQKK-UHFFFAOYSA-N 3 0 407.606 3.731 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000611963296 1072176593 /nfs/dbraw/zinc/17/65/93/1072176593.db2.gz KZZTUTXDCRCKTQ-CTNGQTDRSA-N 2 0 423.557 3.692 20 0 HHADRP C[NH+](C)C1CCC(n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001168305693 1072477154 /nfs/dbraw/zinc/47/71/54/1072477154.db2.gz KIKZBXYGMZMWMY-BBHUYCHWSA-N 2 0 405.546 3.590 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC2(c3ccccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168306132 1072477652 /nfs/dbraw/zinc/47/76/52/1072477652.db2.gz RVQDOKOJSQORTB-UHFFFAOYSA-N 2 0 416.610 3.813 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857861 1072480666 /nfs/dbraw/zinc/48/06/66/1072480666.db2.gz GERAKGFCKMTQTH-NJYVYQBISA-N 2 0 400.611 3.564 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941422 1072504301 /nfs/dbraw/zinc/50/43/01/1072504301.db2.gz GHVOQJVYPBCSFE-GOTSBHOMSA-N 2 0 424.589 3.936 20 0 HHADRP CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@@H]2CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353020 1072538305 /nfs/dbraw/zinc/53/83/05/1072538305.db2.gz HDLOLPRLVAVZDZ-FQEVSTJZSA-N 2 0 421.626 3.647 20 0 HHADRP COCCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001168364399 1073008592 /nfs/dbraw/zinc/00/85/92/1073008592.db2.gz CHHRGPIZRXJTAL-UHFFFAOYSA-N 2 0 409.615 3.504 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000554978351 1073019316 /nfs/dbraw/zinc/01/93/16/1073019316.db2.gz JAESFSPZCWRUKI-QGZVFWFLSA-N 2 0 422.333 3.830 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554981502 1073040323 /nfs/dbraw/zinc/04/03/23/1073040323.db2.gz BMMJIZWHBGLTCV-IBGZPJMESA-N 2 0 402.542 3.911 20 0 HHADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC001649004107 1073143627 /nfs/dbraw/zinc/14/36/27/1073143627.db2.gz AXXVQSWROWJTMN-LJQANCHMSA-N 2 0 413.009 3.628 20 0 HHADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711954 1073157582 /nfs/dbraw/zinc/15/75/82/1073157582.db2.gz VPUJHAALLHAUTR-WOZUAGRISA-N 2 0 415.622 3.636 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760702230 1073191262 /nfs/dbraw/zinc/19/12/62/1073191262.db2.gz GBMTUCHSVWPPOB-UHFFFAOYSA-N 2 0 404.986 3.527 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600028439 1073407683 /nfs/dbraw/zinc/40/76/83/1073407683.db2.gz MJPDMKPQSFZFOB-OAQYLSRUSA-N 2 0 420.601 3.505 20 0 HHADRP O=C(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365721 1073516249 /nfs/dbraw/zinc/51/62/49/1073516249.db2.gz VDYFFFGCZVZFBQ-UHFFFAOYSA-N 2 0 409.496 3.774 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555629161 1073697111 /nfs/dbraw/zinc/69/71/11/1073697111.db2.gz YCEWVROMXDMTIM-JTSKRJEESA-N 2 0 407.493 3.557 20 0 HHADRP O=C(C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000573032931 1074067011 /nfs/dbraw/zinc/06/70/11/1074067011.db2.gz HQOWKSZFSWPYNN-HSZRJFAPSA-N 2 0 411.977 3.956 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000591164792 1074160081 /nfs/dbraw/zinc/16/00/81/1074160081.db2.gz IODGAMKWBIPZES-HSZRJFAPSA-N 2 0 401.595 3.534 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000591548800 1074383807 /nfs/dbraw/zinc/38/38/07/1074383807.db2.gz RCNMCVLGUCKTJE-LJQANCHMSA-N 2 0 407.002 3.724 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557115 1074404353 /nfs/dbraw/zinc/40/43/53/1074404353.db2.gz BHAOHBGCXHCJLH-RXVVDRJESA-N 2 0 407.002 3.897 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000591717198 1074480504 /nfs/dbraw/zinc/48/05/04/1074480504.db2.gz RTNWUOGFSONGNC-UHFFFAOYSA-N 2 0 407.562 3.558 20 0 HHADRP CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000592036115 1074680128 /nfs/dbraw/zinc/68/01/28/1074680128.db2.gz HHHCNXQOGRWZKN-QHCPKHFHSA-N 2 0 424.589 3.691 20 0 HHADRP Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000592463129 1074760867 /nfs/dbraw/zinc/76/08/67/1074760867.db2.gz IXTLAYAVOSHKON-FQEVSTJZSA-N 2 0 401.501 3.808 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000592559200 1074788618 /nfs/dbraw/zinc/78/86/18/1074788618.db2.gz BAQIIGZLCHVOIA-OAQYLSRUSA-N 2 0 419.013 3.822 20 0 HHADRP c1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000601598466 1075635085 /nfs/dbraw/zinc/63/50/85/1075635085.db2.gz XGEOTIPEJMYWJS-UHFFFAOYSA-N 2 0 402.586 3.903 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(c3ccccc3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000601958263 1075676568 /nfs/dbraw/zinc/67/65/68/1075676568.db2.gz UDHAWZHMQWTYTA-UHFFFAOYSA-N 2 0 420.601 3.958 20 0 HHADRP COc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000602277178 1075725537 /nfs/dbraw/zinc/72/55/37/1075725537.db2.gz BDVSDSIHQBUECH-OAQYLSRUSA-N 2 0 409.574 3.629 20 0 HHADRP CCCOc1c(Cl)cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OCC ZINC000602277320 1075725838 /nfs/dbraw/zinc/72/58/38/1075725838.db2.gz KDROTJSYCXUNAU-SFHVURJKSA-N 2 0 410.002 3.786 20 0 HHADRP Cc1c[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc1C ZINC001164681481 719679431 /nfs/dbraw/zinc/67/94/31/719679431.db2.gz LMZYBROEVKVVQI-OAQYLSRUSA-N 2 0 420.601 3.792 20 0 HHADRP c1cc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754596 720872616 /nfs/dbraw/zinc/87/26/16/720872616.db2.gz SEMDOPNEHGHSJF-OFVILXPXSA-N 2 0 417.557 3.713 20 0 HHADRP CCOc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164756910 720888576 /nfs/dbraw/zinc/88/85/76/720888576.db2.gz SCPRYFUZFYMVPH-RCZVLFRGSA-N 2 0 422.573 3.630 20 0 HHADRP Cc1cccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164775866 721329317 /nfs/dbraw/zinc/32/93/17/721329317.db2.gz ALEWILHPAZOPBU-SQJMNOBHSA-N 2 0 422.573 3.522 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153169 971530954 /nfs/dbraw/zinc/53/09/54/971530954.db2.gz SZMDZVMSZJAQBX-QGZVFWFLSA-N 2 0 404.580 3.508 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000303211858 971563383 /nfs/dbraw/zinc/56/33/83/971563383.db2.gz OYFXEGAYAGWFKM-AOHZBQACSA-N 2 0 414.638 3.608 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219687 971566603 /nfs/dbraw/zinc/56/66/03/971566603.db2.gz RKRSXOUGVWGPHL-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303293126 971605526 /nfs/dbraw/zinc/60/55/26/971605526.db2.gz MXYUBCOYWJLGRL-UXHICEINSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303451305 971751156 /nfs/dbraw/zinc/75/11/56/971751156.db2.gz IQLHWWTUXUDITK-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000303550580 971848147 /nfs/dbraw/zinc/84/81/47/971848147.db2.gz JNHVHJRLMVOUAK-IBGZPJMESA-N 2 0 402.583 3.784 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303651614 971931036 /nfs/dbraw/zinc/93/10/36/971931036.db2.gz KOMXJPWYXBHNNH-QHAWAJNXSA-N 2 0 400.611 3.879 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1F ZINC000303730033 971982644 /nfs/dbraw/zinc/98/26/44/971982644.db2.gz URLNSVXNPUUAPX-NOTZXAQLSA-N 2 0 424.564 3.882 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692617 1013256584 /nfs/dbraw/zinc/25/65/84/1013256584.db2.gz KPMQYIYVNXGCDB-QRVBRYPASA-N 2 0 408.468 3.575 20 0 HHADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(C)c1OCc1ccccn1 ZINC000537693791 1013258516 /nfs/dbraw/zinc/25/85/16/1013258516.db2.gz ZEHFMTWICMAZAS-RBZQAINGSA-N 2 0 409.574 3.961 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000542320760 1013275922 /nfs/dbraw/zinc/27/59/22/1013275922.db2.gz JEWOIJCXAQCLNO-KRWDZBQOSA-N 2 0 417.435 3.843 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000553350128 1013292702 /nfs/dbraw/zinc/29/27/02/1013292702.db2.gz DJRXBXHHCKEJAV-HSZRJFAPSA-N 2 0 409.574 3.756 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774326 1013336675 /nfs/dbraw/zinc/33/66/75/1013336675.db2.gz LVKCXFPVFJIIMT-NJYVYQBISA-N 2 0 415.626 3.696 20 0 HHADRP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840043 1013401367 /nfs/dbraw/zinc/40/13/67/1013401367.db2.gz APAKPDLLVYUJGU-IBGZPJMESA-N 2 0 412.553 3.806 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465709 1013413371 /nfs/dbraw/zinc/41/33/71/1013413371.db2.gz KEELVYQGNVIRQA-FQEVSTJZSA-N 2 0 415.497 3.716 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875997 1013453244 /nfs/dbraw/zinc/45/32/44/1013453244.db2.gz WSMNDQKITFPGPE-HYBUGGRVSA-N 2 0 421.589 3.508 20 0 HHADRP CC(C)(CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000024744157 964062262 /nfs/dbraw/zinc/06/22/62/964062262.db2.gz XNWSDRVTCOOWCA-UHFFFAOYSA-N 2 0 420.601 3.787 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137124 964275396 /nfs/dbraw/zinc/27/53/96/964275396.db2.gz QUMDRFNQVLKGTL-OAQYLSRUSA-N 2 0 414.619 3.734 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)ccn1 ZINC000537942653 1013526540 /nfs/dbraw/zinc/52/65/40/1013526540.db2.gz KFJUCALICPQGJR-SFHVURJKSA-N 2 0 408.315 3.701 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(-c2ccncc2)c1 ZINC000537972884 1013549669 /nfs/dbraw/zinc/54/96/69/1013549669.db2.gz HMDVNAKOSMPOFV-LJQANCHMSA-N 2 0 402.542 3.891 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054037542 965366061 /nfs/dbraw/zinc/36/60/61/965366061.db2.gz XZIBYAFCGVUIKX-QFIPXVFZSA-N 2 0 410.562 3.770 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000054509609 965548649 /nfs/dbraw/zinc/54/86/49/965548649.db2.gz YULHDHHDGUWEPY-NRFANRHFSA-N 2 0 408.590 3.946 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000030919117 965833182 /nfs/dbraw/zinc/83/31/82/965833182.db2.gz LESXNNNHSFMUII-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000056812994 966477402 /nfs/dbraw/zinc/47/74/02/966477402.db2.gz PBSZIBBDAARZOY-UHFFFAOYSA-N 2 0 407.002 3.678 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000061550801 966497069 /nfs/dbraw/zinc/49/70/69/966497069.db2.gz YQRAZLRFRFWBEA-HXUWFJFHSA-N 2 0 408.590 3.774 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000061868926 966568410 /nfs/dbraw/zinc/56/84/10/966568410.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 2 0 408.590 3.991 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000538102627 1013670177 /nfs/dbraw/zinc/67/01/77/1013670177.db2.gz MNODIZMVBBRVAG-INIZCTEOSA-N 2 0 421.994 3.550 20 0 HHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000553882126 1013674312 /nfs/dbraw/zinc/67/43/12/1013674312.db2.gz AXBLMEUKPCMANJ-RUZDIDTESA-N 2 0 422.617 3.949 20 0 HHADRP C[NH+](C)[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000063144295 966759625 /nfs/dbraw/zinc/75/96/25/966759625.db2.gz DHBKABRUPJIPCN-QFIPXVFZSA-N 2 0 414.594 3.557 20 0 HHADRP S=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144126 966760403 /nfs/dbraw/zinc/76/04/03/966760403.db2.gz ADTQMVIPQHWOBX-OAQYLSRUSA-N 2 0 412.603 3.545 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063332851 966823669 /nfs/dbraw/zinc/82/36/69/966823669.db2.gz NTNVFZTVTNXRFI-UHFFFAOYSA-N 2 0 412.622 3.913 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063407742 966846820 /nfs/dbraw/zinc/84/68/20/966846820.db2.gz IOTDIDSXJJFMQD-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063464181 966867316 /nfs/dbraw/zinc/86/73/16/966867316.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 2 0 420.601 3.646 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167037 966923049 /nfs/dbraw/zinc/92/30/49/966923049.db2.gz GGEIGMATQCBCDS-QFIPXVFZSA-N 2 0 410.562 3.642 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043238804 966934055 /nfs/dbraw/zinc/93/40/55/966934055.db2.gz YPANLCNQQZNQCU-XMMPIXPASA-N 2 0 406.574 3.533 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)CC(C)C ZINC000043490525 966983103 /nfs/dbraw/zinc/98/31/03/966983103.db2.gz NEYSYCUGKWJPNB-OAQYLSRUSA-N 2 0 403.615 3.625 20 0 HHADRP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000542834363 1013697661 /nfs/dbraw/zinc/69/76/61/1013697661.db2.gz BPQFFUHROYSLBN-OEMFJLHTSA-N 2 0 407.558 3.662 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000064229354 967094932 /nfs/dbraw/zinc/09/49/32/967094932.db2.gz WHJFELMUPKZYAU-UHFFFAOYSA-N 2 0 418.532 3.690 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850560 1013709128 /nfs/dbraw/zinc/70/91/28/1013709128.db2.gz YXNMFGGSOLTCPQ-UWJYYQICSA-N 2 0 419.338 3.932 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000065468474 967482318 /nfs/dbraw/zinc/48/23/18/967482318.db2.gz OLBJJKHDJKCWGU-QFIPXVFZSA-N 2 0 400.542 3.510 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)[NH+](C)C)cc1 ZINC000065469914 967482448 /nfs/dbraw/zinc/48/24/48/967482448.db2.gz CPXJVFBUUTWUJH-DEOSSOPVSA-N 2 0 408.590 3.824 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000065518567 967503812 /nfs/dbraw/zinc/50/38/12/967503812.db2.gz WPBYEBSIJUXYMK-NFBKMPQASA-N 2 0 412.553 3.640 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)C1 ZINC000045788078 967552557 /nfs/dbraw/zinc/55/25/57/967552557.db2.gz WNZURWPKTLPDIM-NRFANRHFSA-N 2 0 412.622 3.936 20 0 HHADRP CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000538174682 1013732975 /nfs/dbraw/zinc/73/29/75/1013732975.db2.gz KRFIGDDMKVHPDQ-NRFANRHFSA-N 2 0 409.574 3.779 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2=CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542891541 1013737043 /nfs/dbraw/zinc/73/70/43/1013737043.db2.gz ZXAUTEOMPJRMHQ-HSZRJFAPSA-N 2 0 414.594 3.850 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304108 968131805 /nfs/dbraw/zinc/13/18/05/968131805.db2.gz QWFKXWWUDNROPD-UHFFFAOYSA-N 2 0 406.574 3.598 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000047777552 968309643 /nfs/dbraw/zinc/30/96/43/968309643.db2.gz SEYUHELRGBMUIU-PMACEKPBSA-N 2 0 402.514 3.548 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000554111715 1013803122 /nfs/dbraw/zinc/80/31/22/1013803122.db2.gz AZRNLKVPADGQGX-YKSBVNFPSA-N 2 0 423.605 3.950 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCc1cnn(-c3ccccc3)c1)c1ccccc1O2 ZINC000538274625 1013813916 /nfs/dbraw/zinc/81/39/16/1013813916.db2.gz UNWNITDLYFYNOJ-HSZRJFAPSA-N 2 0 402.542 3.993 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000065859723 968685061 /nfs/dbraw/zinc/68/50/61/968685061.db2.gz AOOBNDWABWPSRN-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000066037590 968777998 /nfs/dbraw/zinc/77/79/98/968777998.db2.gz MLDMODVPPQVTMJ-XMMPIXPASA-N 2 0 412.622 3.995 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297548 1013832894 /nfs/dbraw/zinc/83/28/94/1013832894.db2.gz VECSQURACQLEPZ-AUSIDOKSSA-N 2 0 405.542 3.649 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000109897738 969589015 /nfs/dbraw/zinc/58/90/15/969589015.db2.gz ASRKABAWYUXGIU-XMMPIXPASA-N 2 0 420.601 3.611 20 0 HHADRP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152492 969629971 /nfs/dbraw/zinc/62/99/71/969629971.db2.gz LXSOISMOVMSBSX-RXVVDRJESA-N 2 0 411.512 3.678 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000110434129 969667589 /nfs/dbraw/zinc/66/75/89/969667589.db2.gz XJVJQAHNNWYYKM-HOTGVXAUSA-N 2 0 411.949 3.629 20 0 HHADRP O=C(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000110987874 969754672 /nfs/dbraw/zinc/75/46/72/969754672.db2.gz WGCYLDFDBVEJPE-UHFFFAOYSA-N 2 0 414.377 3.756 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000111072569 969772581 /nfs/dbraw/zinc/77/25/81/969772581.db2.gz UJQWBPVXHDTRRP-BKSPAHHJSA-N 2 0 423.601 3.995 20 0 HHADRP c1nc2ccccn2c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000195685556 969956222 /nfs/dbraw/zinc/95/62/22/969956222.db2.gz QLVNLYCDYFMYOM-UHFFFAOYSA-N 2 0 411.553 3.946 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1 ZINC000138499437 969998964 /nfs/dbraw/zinc/99/89/64/969998964.db2.gz ZFRIDCHTXOJWRY-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP Brc1cccc(-c2nc(C[NH2+]CCCC[NH+]3CCOCC3)cs2)c1 ZINC000236581168 970143055 /nfs/dbraw/zinc/14/30/55/970143055.db2.gz CDWCIFGXVBEHFH-UHFFFAOYSA-N 2 0 410.381 3.775 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236687854 970155978 /nfs/dbraw/zinc/15/59/78/970155978.db2.gz SOCHJTKONFZYLH-QFIPXVFZSA-N 2 0 418.029 3.813 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000236943803 970192073 /nfs/dbraw/zinc/19/20/73/970192073.db2.gz LISPSQMVJAOZDZ-UHFFFAOYSA-N 2 0 424.420 3.664 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000236952770 970193722 /nfs/dbraw/zinc/19/37/22/970193722.db2.gz APSSKKPZTPFAMM-MRXNPFEDSA-N 2 0 424.420 3.851 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC1 ZINC000236976603 970197670 /nfs/dbraw/zinc/19/76/70/970197670.db2.gz SWILFIVWXCATSW-GOSISDBHSA-N 2 0 404.002 3.765 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000236978415 970198813 /nfs/dbraw/zinc/19/88/13/970198813.db2.gz VWNKMQFOFAZZML-OAHLLOKOSA-N 2 0 423.424 3.688 20 0 HHADRP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237103900 970222756 /nfs/dbraw/zinc/22/27/56/970222756.db2.gz DIUBGCRQEZQIHI-OAQYLSRUSA-N 2 0 417.601 3.827 20 0 HHADRP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237105031 970222888 /nfs/dbraw/zinc/22/28/88/970222888.db2.gz DRRLMQBVFDVUJR-OAQYLSRUSA-N 2 0 417.601 3.827 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237169648 970235259 /nfs/dbraw/zinc/23/52/59/970235259.db2.gz SPEDBLBUCFZWPB-UHFFFAOYSA-N 2 0 423.630 3.964 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1)C1CCOCC1 ZINC000237202678 970240527 /nfs/dbraw/zinc/24/05/27/970240527.db2.gz XMBULLRWJNDEDJ-UHFFFAOYSA-N 2 0 408.464 3.883 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c1)C1CCOCC1 ZINC000237205076 970241102 /nfs/dbraw/zinc/24/11/02/970241102.db2.gz JRSHNHMIWXPPTQ-UHFFFAOYSA-N 2 0 420.557 3.856 20 0 HHADRP COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000237209825 970242549 /nfs/dbraw/zinc/24/25/49/970242549.db2.gz VCBOZZYTDCWUKI-QHCPKHFHSA-N 2 0 411.590 3.636 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237527983 970308586 /nfs/dbraw/zinc/30/85/86/970308586.db2.gz ADVSSPHKCWEDAG-NRFANRHFSA-N 2 0 405.586 3.999 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000237589014 970318154 /nfs/dbraw/zinc/31/81/54/970318154.db2.gz RGEHMIMLVRZNIF-JOCHJYFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@H](C)O1 ZINC000237608298 970320984 /nfs/dbraw/zinc/32/09/84/970320984.db2.gz NYZFPTUFOOFGNT-LVCYWYKZSA-N 2 0 410.986 3.877 20 0 HHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237665370 970334247 /nfs/dbraw/zinc/33/42/47/970334247.db2.gz YGKATMYKXIHCOD-HXUWFJFHSA-N 2 0 421.564 3.712 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148966200 970377445 /nfs/dbraw/zinc/37/74/45/970377445.db2.gz ONOOXGWTPMJDFK-DYESRHJHSA-N 2 0 418.582 3.701 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)C1 ZINC000237940307 970399998 /nfs/dbraw/zinc/39/99/98/970399998.db2.gz OVPDVCDJHSUSSM-QFIPXVFZSA-N 2 0 403.526 3.934 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150168040 970431480 /nfs/dbraw/zinc/43/14/80/970431480.db2.gz CYYRWSHRMWRAJI-NRFANRHFSA-N 2 0 400.611 3.710 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195606774 970548426 /nfs/dbraw/zinc/54/84/26/970548426.db2.gz WAANTTQRXPERKN-RPWUZVMVSA-N 2 0 406.574 3.787 20 0 HHADRP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000380943470 972778691 /nfs/dbraw/zinc/77/86/91/972778691.db2.gz NQHGFJXMFGJXEC-QHCPKHFHSA-N 2 0 407.558 3.899 20 0 HHADRP CCOc1c(Br)cc(Br)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392288444 972851348 /nfs/dbraw/zinc/85/13/48/972851348.db2.gz LUZBJKQGORONHA-UHFFFAOYSA-N 2 0 418.173 3.962 20 0 HHADRP OC1(C[NH2+]Cc2cc(F)ccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397552471 972871739 /nfs/dbraw/zinc/87/17/39/972871739.db2.gz YLVHNHHSYJXPMT-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000410304718 973842965 /nfs/dbraw/zinc/84/29/65/973842965.db2.gz DQLMPTUBUNTTRC-DEOSSOPVSA-N 2 0 414.638 3.893 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410309325 973851101 /nfs/dbraw/zinc/85/11/01/973851101.db2.gz USPLKAUXXWGGBM-RUZDIDTESA-N 2 0 420.601 3.830 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311125 973853905 /nfs/dbraw/zinc/85/39/05/973853905.db2.gz SKYWLEWORUBWBQ-VXKWHMMOSA-N 2 0 414.638 3.751 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000410311634 973854105 /nfs/dbraw/zinc/85/41/05/973854105.db2.gz YEVFPWDOSVOXCD-UHFFFAOYSA-N 2 0 400.611 3.505 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000410333545 973910054 /nfs/dbraw/zinc/91/00/54/973910054.db2.gz SLFIKGFNHVIQJK-RUZDIDTESA-N 2 0 420.601 3.923 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000410359280 973950567 /nfs/dbraw/zinc/95/05/67/973950567.db2.gz MTFUQHDILHFUHM-FQEVSTJZSA-N 2 0 400.611 3.838 20 0 HHADRP COc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066487 /nfs/dbraw/zinc/06/64/87/974066487.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 0 419.363 3.527 20 0 HHADRP CC[N@H+](CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975262 974082352 /nfs/dbraw/zinc/08/23/52/974082352.db2.gz BQNNOJFEZOZNKD-LJQANCHMSA-N 2 0 414.516 3.567 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000426125906 974248315 /nfs/dbraw/zinc/24/83/15/974248315.db2.gz IBOJGOYEACMSQB-SIKLNZKXSA-N 2 0 402.583 3.745 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000426142860 974263182 /nfs/dbraw/zinc/26/31/82/974263182.db2.gz WPDCFFGKZFDHLN-PZJWPPBQSA-N 2 0 402.583 3.888 20 0 HHADRP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000426302175 974382201 /nfs/dbraw/zinc/38/22/01/974382201.db2.gz HFXKQTOSFNQQCB-GMKZXUHWSA-N 2 0 401.554 3.929 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000426785337 974657532 /nfs/dbraw/zinc/65/75/32/974657532.db2.gz PGECZJNAIZYDRV-QZTJIDSGSA-N 2 0 418.607 3.942 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000426785334 974657594 /nfs/dbraw/zinc/65/75/94/974657594.db2.gz PGECZJNAIZYDRV-HDICACEKSA-N 2 0 418.607 3.942 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426827106 974692029 /nfs/dbraw/zinc/69/20/29/974692029.db2.gz HIPLNYUILHMBMR-GUDVDZBRSA-N 2 0 422.013 3.556 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426829293 974694757 /nfs/dbraw/zinc/69/47/57/974694757.db2.gz OPVDCRASSYJSTR-FGZHOGPDSA-N 2 0 415.622 3.635 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829295 974694895 /nfs/dbraw/zinc/69/48/95/974694895.db2.gz OPVDCRASSYJSTR-SZPZYZBQSA-N 2 0 415.622 3.635 20 0 HHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000427720552 975252252 /nfs/dbraw/zinc/25/22/52/975252252.db2.gz NWIRJDAVSAQBFG-OAHLLOKOSA-N 2 0 413.379 3.584 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000428112774 975444504 /nfs/dbraw/zinc/44/45/04/975444504.db2.gz AYXKYIXLKFJTAO-FQEVSTJZSA-N 2 0 404.624 3.695 20 0 HHADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264126 975578439 /nfs/dbraw/zinc/57/84/39/975578439.db2.gz UXGLSJJWXXTXTF-CZSZKKDXSA-N 2 0 420.601 3.786 20 0 HHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1Cl ZINC000428398524 975718672 /nfs/dbraw/zinc/71/86/72/975718672.db2.gz FULZZNDUMLNXHQ-IRXDYDNUSA-N 2 0 423.001 3.613 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643790 975945548 /nfs/dbraw/zinc/94/55/48/975945548.db2.gz RUXYUPJVHQLNMD-XPNTWCBSSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421941 976699404 /nfs/dbraw/zinc/69/94/04/976699404.db2.gz YBHBFJUOEDSWEJ-OFVILXPXSA-N 2 0 411.590 3.569 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429602756 976883855 /nfs/dbraw/zinc/88/38/55/976883855.db2.gz QCEUHIIONFIENQ-FGZHOGPDSA-N 2 0 424.593 3.587 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000429694585 976987250 /nfs/dbraw/zinc/98/72/50/976987250.db2.gz FCKUNTVUQAHKRH-XMMPIXPASA-N 2 0 405.590 3.668 20 0 HHADRP Cc1cnccc1OC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000429717790 977009228 /nfs/dbraw/zinc/00/92/28/977009228.db2.gz CTFSVLUOXVHTRF-UHFFFAOYSA-N 2 0 405.498 3.956 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000430003138 977264054 /nfs/dbraw/zinc/26/40/54/977264054.db2.gz PTFILMHEXIRDIG-WOJBJXKFSA-N 2 0 420.557 3.780 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879567 977845355 /nfs/dbraw/zinc/84/53/55/977845355.db2.gz UBZTWFJSZWVUCW-HSZRJFAPSA-N 2 0 420.601 3.704 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000430935852 977899486 /nfs/dbraw/zinc/89/94/86/977899486.db2.gz VVNVNBXKTBLHCY-UHFFFAOYSA-N 2 0 421.029 3.797 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286239 978172507 /nfs/dbraw/zinc/17/25/07/978172507.db2.gz XDSUHRBTKNNRQP-YADHBBJMSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H](CCSc1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000431603139 978378599 /nfs/dbraw/zinc/37/85/99/978378599.db2.gz JGMLWPGYFJJARD-LJQANCHMSA-N 2 0 405.652 3.973 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000431650868 978410167 /nfs/dbraw/zinc/41/01/67/978410167.db2.gz GALZGFNYPRZSPG-DEOSSOPVSA-N 2 0 414.638 3.608 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431676753 978429698 /nfs/dbraw/zinc/42/96/98/978429698.db2.gz AIMYUDKFQAZJCS-QDSKXPNFSA-N 2 0 408.590 3.512 20 0 HHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000432360789 978777223 /nfs/dbraw/zinc/77/72/23/978777223.db2.gz XMIAVDUKODYKQA-CYBMUJFWSA-N 2 0 407.299 3.641 20 0 HHADRP COc1cc(C[NH+](C)C[C@H]2CCCC[C@@H]2O)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854933 978992971 /nfs/dbraw/zinc/99/29/71/978992971.db2.gz SYZMCABGHFYEJR-VRUIKYSZSA-N 2 0 418.622 3.661 20 0 HHADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc21 ZINC000433050540 979052316 /nfs/dbraw/zinc/05/23/16/979052316.db2.gz CRZFNMULJNZVBJ-UHFFFAOYSA-N 2 0 403.570 3.954 20 0 HHADRP CCc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000433133321 979091495 /nfs/dbraw/zinc/09/14/95/979091495.db2.gz ZAMHIEJTGCJXAK-UHFFFAOYSA-N 2 0 411.615 3.915 20 0 HHADRP O=c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc(Cl)cn12 ZINC000433192025 979131521 /nfs/dbraw/zinc/13/15/21/979131521.db2.gz JBLWEPTWYDHTCV-UHFFFAOYSA-N 2 0 422.960 3.836 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]2[C@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209520 979144160 /nfs/dbraw/zinc/14/41/60/979144160.db2.gz REWDZYYPYPKXIQ-VPBXCIAMSA-N 2 0 414.590 3.982 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239690 979170578 /nfs/dbraw/zinc/17/05/78/979170578.db2.gz IHAIAAAADDDVPO-DUQPFJRNSA-N 2 0 403.533 3.759 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433365965 979258036 /nfs/dbraw/zinc/25/80/36/979258036.db2.gz QYHDLTSTRRSLGG-JOCHJYFZSA-N 2 0 414.594 3.573 20 0 HHADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322473 980085771 /nfs/dbraw/zinc/08/57/71/980085771.db2.gz VTWOPRRZAGCDKE-HSZRJFAPSA-N 2 0 417.557 3.952 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000435525106 980919652 /nfs/dbraw/zinc/91/96/52/980919652.db2.gz HWVMTDVBQRFHFG-FCHUYYIVSA-N 2 0 424.593 3.587 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532018 980924838 /nfs/dbraw/zinc/92/48/38/980924838.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 2 0 424.593 3.587 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448213678 981627662 /nfs/dbraw/zinc/62/76/62/981627662.db2.gz NGRWJUMYLRBBQX-LADGPHEKSA-N 2 0 410.606 3.831 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448461671 981795438 /nfs/dbraw/zinc/79/54/38/981795438.db2.gz NCHDRFHOITUJEY-VJBMBRPKSA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448463436 981797359 /nfs/dbraw/zinc/79/73/59/981797359.db2.gz BTRHOMJDMUWTTQ-BAGYTPMASA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000448465794 981800900 /nfs/dbraw/zinc/80/09/00/981800900.db2.gz JNSWEHQNSGGOBB-VIZSFHNOSA-N 2 0 400.611 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000448475493 981818097 /nfs/dbraw/zinc/81/80/97/981818097.db2.gz TZOQYIXHENWVGO-FQEVSTJZSA-N 2 0 409.018 3.781 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[C@@H]1c1cccs1 ZINC000448519678 981846552 /nfs/dbraw/zinc/84/65/52/981846552.db2.gz FHYAJUZIZGWOMQ-BAYUQKDNSA-N 2 0 416.635 3.789 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccsc1 ZINC000460173776 981946355 /nfs/dbraw/zinc/94/63/55/981946355.db2.gz ZRWXQHOUCIPFSL-KSEOMHKRSA-N 2 0 412.603 3.514 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccsc1 ZINC000460173774 981946428 /nfs/dbraw/zinc/94/64/28/981946428.db2.gz ZRWXQHOUCIPFSL-CEMLEFRQSA-N 2 0 412.603 3.514 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000460364367 982140401 /nfs/dbraw/zinc/14/04/01/982140401.db2.gz LFSQPIDDUPWVII-SFHLNBCPSA-N 2 0 407.558 3.654 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460411773 982195797 /nfs/dbraw/zinc/19/57/97/982195797.db2.gz ZZPCAEVNFWPCTH-XZOQPEGZSA-N 2 0 424.633 3.947 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437644370 982263463 /nfs/dbraw/zinc/26/34/63/982263463.db2.gz VYFZRYGHGGHVEX-ISKFKSNPSA-N 2 0 412.622 3.647 20 0 HHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000460641367 982416200 /nfs/dbraw/zinc/41/62/00/982416200.db2.gz DWDGBOXCWYBBOJ-UHFFFAOYSA-N 2 0 401.599 3.596 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460658016 982428175 /nfs/dbraw/zinc/42/81/75/982428175.db2.gz RTWZTFNVCQIHMV-IGABQKFOSA-N 2 0 424.633 3.803 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000437952097 982483079 /nfs/dbraw/zinc/48/30/79/982483079.db2.gz XDAAGLAZIHVORH-HNNXBMFYSA-N 2 0 404.452 3.724 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000438040715 982543559 /nfs/dbraw/zinc/54/35/59/982543559.db2.gz KOTWCKPPKPHTDD-QHCPKHFHSA-N 2 0 422.573 3.797 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000438106206 982592136 /nfs/dbraw/zinc/59/21/36/982592136.db2.gz SFIDAPTUQYZLMD-OAQYLSRUSA-N 2 0 404.624 3.616 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438270175 982691522 /nfs/dbraw/zinc/69/15/22/982691522.db2.gz KUYOKVSSKOSRCV-QHCPKHFHSA-N 2 0 415.626 3.947 20 0 HHADRP CCCn1ccc2ccc(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000438276473 982694985 /nfs/dbraw/zinc/69/49/85/982694985.db2.gz LIEFKKHCZKFJGB-UHFFFAOYSA-N 2 0 420.561 3.780 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1CC(F)(F)F ZINC000438608098 982935083 /nfs/dbraw/zinc/93/50/83/982935083.db2.gz FLEVBZFZGSUKLL-UHFFFAOYSA-N 2 0 421.467 3.520 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000461226598 982936507 /nfs/dbraw/zinc/93/65/07/982936507.db2.gz AQCBDPDOORZASR-OAQYLSRUSA-N 2 0 411.512 3.679 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438650225 982968569 /nfs/dbraw/zinc/96/85/69/982968569.db2.gz QLJNUEYVVASXAZ-FQEVSTJZSA-N 2 0 411.550 3.754 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438847401 983114376 /nfs/dbraw/zinc/11/43/76/983114376.db2.gz CTXRCEZWMTVIKL-YKSBVNFPSA-N 2 0 421.589 3.571 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865649 983130294 /nfs/dbraw/zinc/13/02/94/983130294.db2.gz RZHPEHZIJSNONN-PMACEKPBSA-N 2 0 415.626 3.807 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970123 983186217 /nfs/dbraw/zinc/18/62/17/983186217.db2.gz UOIQFTMXMNJELS-NZQKXSOJSA-N 2 0 415.626 3.663 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974875 983189287 /nfs/dbraw/zinc/18/92/87/983189287.db2.gz PQHPOOUCGKVHHK-RDPSFJRHSA-N 2 0 423.605 3.989 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000439180224 983294758 /nfs/dbraw/zinc/29/47/58/983294758.db2.gz RMXAPMHOJKHHBN-HKBOAZHASA-N 2 0 404.986 3.745 20 0 HHADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000439229569 983319640 /nfs/dbraw/zinc/31/96/40/983319640.db2.gz NNDHNRAZKGMBTR-SIKLNZKXSA-N 2 0 401.595 3.559 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000439288922 983347128 /nfs/dbraw/zinc/34/71/28/983347128.db2.gz FDOUEUCFRDJBFJ-UHFFFAOYSA-N 2 0 424.680 3.573 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000439763154 983528886 /nfs/dbraw/zinc/52/88/86/983528886.db2.gz VEYLSDIFCFFSJH-QGZVFWFLSA-N 2 0 406.530 3.845 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000440094699 983642210 /nfs/dbraw/zinc/64/22/10/983642210.db2.gz JDRJCYTVZNUPSX-RXVVDRJESA-N 2 0 413.566 3.582 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440187069 983675202 /nfs/dbraw/zinc/67/52/02/983675202.db2.gz LKRIVDRUSKTLQV-HXUWFJFHSA-N 2 0 403.615 3.616 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249306 984137439 /nfs/dbraw/zinc/13/74/39/984137439.db2.gz CGOWRYYKJZHGBW-QDSKXPNFSA-N 2 0 423.557 3.991 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249304 984137471 /nfs/dbraw/zinc/13/74/71/984137471.db2.gz CGOWRYYKJZHGBW-HUVFLSCGSA-N 2 0 423.557 3.991 20 0 HHADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1F ZINC000441445403 984255173 /nfs/dbraw/zinc/25/51/73/984255173.db2.gz ITBTWHUWEDYZEM-OAHLLOKOSA-N 2 0 412.347 3.725 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000461730078 984744522 /nfs/dbraw/zinc/74/45/22/984744522.db2.gz RBAXDUADJQLFBF-QPPBQGQZSA-N 2 0 423.605 3.598 20 0 HHADRP CCC[NH+]1CCC([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000461798936 984786055 /nfs/dbraw/zinc/78/60/55/984786055.db2.gz UYESQUIRALVDRB-UHFFFAOYSA-N 2 0 412.544 3.682 20 0 HHADRP COCCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871885 985253121 /nfs/dbraw/zinc/25/31/21/985253121.db2.gz IPYNETYQDCCLOB-LJQANCHMSA-N 2 0 412.416 3.532 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520335 985470135 /nfs/dbraw/zinc/47/01/35/985470135.db2.gz HDTDJCAZWWLAFN-DVECYGJZSA-N 2 0 424.564 3.610 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735472 985680677 /nfs/dbraw/zinc/68/06/77/985680677.db2.gz BHMHBBOYUPRUMK-PKTZIBPZSA-N 2 0 400.611 3.805 20 0 HHADRP C[NH+](C)CCN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000468033890 985689360 /nfs/dbraw/zinc/68/93/60/985689360.db2.gz PIAQGVJZLKRCOI-UHFFFAOYSA-N 2 0 407.002 3.820 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cn(C)nc3C(F)F)cc2)C[C@@H]1C ZINC000462781917 985717117 /nfs/dbraw/zinc/71/71/17/985717117.db2.gz WJXJXHOHNVXGPY-IRXDYDNUSA-N 2 0 406.521 3.657 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC000462784433 985719461 /nfs/dbraw/zinc/71/94/61/985719461.db2.gz CWGHYJRGOAAACK-UHFFFAOYSA-N 2 0 409.574 3.679 20 0 HHADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC[N@@H+]1C ZINC000468087990 985745956 /nfs/dbraw/zinc/74/59/56/985745956.db2.gz TUMOMSDVXDAENP-URXFXBBRSA-N 2 0 420.601 3.673 20 0 HHADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCCc1nc2ccccc2s1 ZINC000443609126 985786886 /nfs/dbraw/zinc/78/68/86/985786886.db2.gz UUICBZBZTMDADN-UHFFFAOYSA-N 2 0 414.619 3.543 20 0 HHADRP COc1ccc([C@H](NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000443609857 985788586 /nfs/dbraw/zinc/78/85/86/985788586.db2.gz WCFPHJIEDJPXDS-RUZDIDTESA-N 2 0 413.606 3.851 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635657 985819417 /nfs/dbraw/zinc/81/94/17/985819417.db2.gz ZJGGCQCPSHUCFK-XXBNENTESA-N 2 0 400.611 3.933 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468208294 985900221 /nfs/dbraw/zinc/90/02/21/985900221.db2.gz GCDIHGAGRJXULC-UHFFFAOYSA-N 2 0 401.514 3.560 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015028 985970599 /nfs/dbraw/zinc/97/05/99/985970599.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 2 0 420.601 3.670 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000463257178 986224992 /nfs/dbraw/zinc/22/49/92/986224992.db2.gz OXDWZPIKPPGEMD-GOSISDBHSA-N 2 0 416.972 3.847 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272484 986239413 /nfs/dbraw/zinc/23/94/13/986239413.db2.gz QNKIEUYDNREWLR-BWKNWUBXSA-N 2 0 420.601 3.813 20 0 HHADRP c1ccc(CN2CCO[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000463296742 986264240 /nfs/dbraw/zinc/26/42/40/986264240.db2.gz GGXINKXOSITPMG-VGPBXHGJSA-N 2 0 405.586 3.673 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1)N1CC[NH+](C)CC1 ZINC000468635718 986352154 /nfs/dbraw/zinc/35/21/54/986352154.db2.gz SMXDPKSVDNZPCG-KRWDZBQOSA-N 2 0 418.379 3.967 20 0 HHADRP Oc1ccc2c(c1)C1(CC1)C[NH+](CCOCC[N@H+]1Cc3ccc(O)cc3C3(CC3)C1)C2 ZINC000463424002 986394683 /nfs/dbraw/zinc/39/46/83/986394683.db2.gz NDBICFASPNYWRT-UHFFFAOYSA-N 2 0 420.553 3.509 20 0 HHADRP Cc1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000469161105 986885778 /nfs/dbraw/zinc/88/57/78/986885778.db2.gz ZQTIACJUSBLKQQ-UHFFFAOYSA-N 2 0 417.513 3.698 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000469200074 986924172 /nfs/dbraw/zinc/92/41/72/986924172.db2.gz KHCDTMHUIOGMNY-UHFFFAOYSA-N 2 0 400.567 3.560 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444844662 987003776 /nfs/dbraw/zinc/00/37/76/987003776.db2.gz DLPGHHXXXGXSJR-NRFANRHFSA-N 2 0 404.986 3.651 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000469425935 987114118 /nfs/dbraw/zinc/11/41/18/987114118.db2.gz IBWVYYQFANHGRT-GOTSBHOMSA-N 2 0 400.611 3.516 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000469433520 987120184 /nfs/dbraw/zinc/12/01/84/987120184.db2.gz FRFYTPJAFJKMMJ-YFNKSVMNSA-N 2 0 412.622 3.801 20 0 HHADRP COc1ccc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C1CC1 ZINC000469535141 987209315 /nfs/dbraw/zinc/20/93/15/987209315.db2.gz IRACLCKOUINKPC-UHFFFAOYSA-N 2 0 413.606 3.841 20 0 HHADRP CC(C)C[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000445219214 987284316 /nfs/dbraw/zinc/28/43/16/987284316.db2.gz RYABECCJVRORMJ-UGKGYDQZSA-N 2 0 400.611 3.926 20 0 HHADRP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000469766600 987419143 /nfs/dbraw/zinc/41/91/43/987419143.db2.gz CWOZVQHSPISWNI-NPHXMPSESA-N 2 0 400.588 3.597 20 0 HHADRP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469797329 987440404 /nfs/dbraw/zinc/44/04/04/987440404.db2.gz PGSBIOFYKQIDCH-WOJBJXKFSA-N 2 0 407.649 3.828 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067624 987962996 /nfs/dbraw/zinc/96/29/96/987962996.db2.gz SNQUHYCKWLBWGT-VQIMIIECSA-N 2 0 414.516 3.728 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000470216219 988142104 /nfs/dbraw/zinc/14/21/04/988142104.db2.gz PXJWUAJDEYGBAR-IBGZPJMESA-N 2 0 406.368 3.930 20 0 HHADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000464063441 988185164 /nfs/dbraw/zinc/18/51/64/988185164.db2.gz YUGYXFDDEFGMKI-UHFFFAOYSA-N 2 0 400.567 3.552 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279399 988234385 /nfs/dbraw/zinc/23/43/85/988234385.db2.gz KKWHRVNOQXTDJZ-VQIMIIECSA-N 2 0 414.516 3.681 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470286080 988243002 /nfs/dbraw/zinc/24/30/02/988243002.db2.gz BMKTTZBUOAKUPB-RBUKOAKNSA-N 2 0 412.500 3.578 20 0 HHADRP C[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470520146 988519705 /nfs/dbraw/zinc/51/97/05/988519705.db2.gz IDLSHLZYJLXKAH-HXUWFJFHSA-N 2 0 400.526 3.984 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552540 988565718 /nfs/dbraw/zinc/56/57/18/988565718.db2.gz XJWJXTXVQLFFPQ-QWFCFKBJSA-N 2 0 411.512 3.772 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548549 988726521 /nfs/dbraw/zinc/72/65/21/988726521.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 2 0 411.512 3.631 20 0 HHADRP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470731629 988763689 /nfs/dbraw/zinc/76/36/89/988763689.db2.gz FQOFEPLUKWGKBH-XZOQPEGZSA-N 2 0 412.553 3.734 20 0 HHADRP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739027 988775936 /nfs/dbraw/zinc/77/59/36/988775936.db2.gz XVVCOLICCJSKON-DHIUTWEWSA-N 2 0 412.553 3.734 20 0 HHADRP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739030 988776122 /nfs/dbraw/zinc/77/61/22/988776122.db2.gz XVVCOLICCJSKON-XZOQPEGZSA-N 2 0 412.553 3.734 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000470742150 988781518 /nfs/dbraw/zinc/78/15/18/988781518.db2.gz GHOPWALDSVPSOI-HSZRJFAPSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743594 988782569 /nfs/dbraw/zinc/78/25/69/988782569.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 2 0 400.611 3.947 20 0 HHADRP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748194 988788109 /nfs/dbraw/zinc/78/81/09/988788109.db2.gz VDAGWHDDPZLPHF-WOJBJXKFSA-N 2 0 400.592 3.657 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000470760646 988802820 /nfs/dbraw/zinc/80/28/20/988802820.db2.gz DFBJAARXFZXNMO-HHHXNRCGSA-N 2 0 423.645 3.871 20 0 HHADRP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470897161 988970430 /nfs/dbraw/zinc/97/04/30/988970430.db2.gz LVLQATIAZDDVAD-QHCPKHFHSA-N 2 0 400.611 3.949 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000464824056 989061900 /nfs/dbraw/zinc/06/19/00/989061900.db2.gz SCFQOOYARLLSLM-RTWAWAEBSA-N 2 0 400.611 3.696 20 0 HHADRP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844408 989093780 /nfs/dbraw/zinc/09/37/80/989093780.db2.gz AQYFURQARWGINM-NRFANRHFSA-N 2 0 405.542 3.517 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471353965 989522129 /nfs/dbraw/zinc/52/21/29/989522129.db2.gz PYHUUYXWWXUFQK-SFTDATJTSA-N 2 0 405.586 3.708 20 0 HHADRP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000471374484 989550230 /nfs/dbraw/zinc/55/02/30/989550230.db2.gz NWNZFDOATVUAAX-UHFFFAOYSA-N 2 0 418.585 3.606 20 0 HHADRP C[NH+](C)CCOc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000471376672 989553166 /nfs/dbraw/zinc/55/31/66/989553166.db2.gz QYRIRGXDFMZXDI-UHFFFAOYSA-N 2 0 401.938 3.667 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211045 989560356 /nfs/dbraw/zinc/56/03/56/989560356.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 2 0 411.512 3.535 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471382508 989561721 /nfs/dbraw/zinc/56/17/21/989561721.db2.gz QHSBSAATSMUWQY-UHFFFAOYSA-N 2 0 409.599 3.931 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471474741 989670982 /nfs/dbraw/zinc/67/09/82/989670982.db2.gz DSAQLRKARYSVDK-FGZHOGPDSA-N 2 0 410.562 3.628 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471509213 989707085 /nfs/dbraw/zinc/70/70/85/989707085.db2.gz UWMZXWNVUQODJT-PLQXJYEYSA-N 2 0 418.585 3.556 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471547141 989746640 /nfs/dbraw/zinc/74/66/40/989746640.db2.gz LQTKHVXLBRUJIX-DEOSSOPVSA-N 2 0 406.574 3.604 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471547142 989746711 /nfs/dbraw/zinc/74/67/11/989746711.db2.gz LQTKHVXLBRUJIX-XMMPIXPASA-N 2 0 406.574 3.604 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425848 989769350 /nfs/dbraw/zinc/76/93/50/989769350.db2.gz BZODTCGPBKYXDR-APWZRJJASA-N 2 0 414.516 3.824 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425251 989769382 /nfs/dbraw/zinc/76/93/82/989769382.db2.gz BETLSWHVHASNNA-PMACEKPBSA-N 2 0 406.640 3.894 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465513651 989864607 /nfs/dbraw/zinc/86/46/07/989864607.db2.gz HGLGKSKSZTWGLA-VWLOTQADSA-N 2 0 420.601 3.946 20 0 HHADRP CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552982 989915953 /nfs/dbraw/zinc/91/59/53/989915953.db2.gz ZVPPJTMBLYPORT-DNQXCXABSA-N 2 0 414.638 3.906 20 0 HHADRP CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552981 989916100 /nfs/dbraw/zinc/91/61/00/989916100.db2.gz ZVPPJTMBLYPORT-BJKOFHAPSA-N 2 0 414.638 3.906 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589812 989967498 /nfs/dbraw/zinc/96/74/98/989967498.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000465609378 989992477 /nfs/dbraw/zinc/99/24/77/989992477.db2.gz UFQFGHITXLLGSU-FPOVZHCZSA-N 2 0 406.640 3.942 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471896829 990067817 /nfs/dbraw/zinc/06/78/17/990067817.db2.gz FMTFEQLHVXCPLP-UHFFFAOYSA-N 2 0 418.548 3.747 20 0 HHADRP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689194 990074585 /nfs/dbraw/zinc/07/45/85/990074585.db2.gz GRSYZEOBADOTTQ-JTHBVZDNSA-N 2 0 420.601 3.597 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694787 990081057 /nfs/dbraw/zinc/08/10/57/990081057.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 2 0 420.601 3.815 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000465730125 990115387 /nfs/dbraw/zinc/11/53/87/990115387.db2.gz YHAWLHFFCPUZQQ-RTBURBONSA-N 2 0 414.516 3.738 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737790 990123411 /nfs/dbraw/zinc/12/34/11/990123411.db2.gz OIBZSXPSSFKXNJ-SRUXOGRHSA-N 2 0 400.611 3.516 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000465740552 990126292 /nfs/dbraw/zinc/12/62/92/990126292.db2.gz GNWKTWYLGBJRPP-IAGOWNOFSA-N 2 0 414.516 3.824 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000465753810 990140050 /nfs/dbraw/zinc/14/00/50/990140050.db2.gz MBIGNFMGROPLCG-FUPPJEDESA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471991755 990158424 /nfs/dbraw/zinc/15/84/24/990158424.db2.gz KMRXDDPJPMIURL-MRXNPFEDSA-N 2 0 421.372 3.820 20 0 HHADRP Cc1ccc([C@H]2CCCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000465816455 990199029 /nfs/dbraw/zinc/19/90/29/990199029.db2.gz RGOPWOKAABQVFK-XMMPIXPASA-N 2 0 421.589 3.839 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)c1 ZINC000465820818 990203625 /nfs/dbraw/zinc/20/36/25/990203625.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 2 0 408.590 3.944 20 0 HHADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)c1ccccc1 ZINC000465820954 990204524 /nfs/dbraw/zinc/20/45/24/990204524.db2.gz XRZZEAUXSHBVMF-QHCPKHFHSA-N 2 0 423.605 3.649 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000465822680 990206227 /nfs/dbraw/zinc/20/62/27/990206227.db2.gz ZJYLWSBOTVJSLQ-QHCPKHFHSA-N 2 0 400.611 3.936 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823521 990206847 /nfs/dbraw/zinc/20/68/47/990206847.db2.gz XWGXCSGALFCTEI-YADHBBJMSA-N 2 0 412.578 3.826 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472059331 990222934 /nfs/dbraw/zinc/22/29/34/990222934.db2.gz USQOKSWSUPOSQS-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000472061314 990224813 /nfs/dbraw/zinc/22/48/13/990224813.db2.gz CMGPQJAJKJXUIA-SFTDATJTSA-N 2 0 400.611 3.660 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858556 990968619 /nfs/dbraw/zinc/96/86/19/990968619.db2.gz AOPPIDGMEUOAQS-DHIUTWEWSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883458 991005229 /nfs/dbraw/zinc/00/52/29/991005229.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 2 0 408.590 3.813 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907327 991037090 /nfs/dbraw/zinc/03/70/90/991037090.db2.gz OQHOOEZTWSAFNR-FQEVSTJZSA-N 2 0 407.002 3.678 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC000465928588 991062221 /nfs/dbraw/zinc/06/22/21/991062221.db2.gz YJDRBRKBNXRYMW-IBGZPJMESA-N 2 0 408.590 3.514 20 0 HHADRP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)nc1 ZINC000465956000 991096736 /nfs/dbraw/zinc/09/67/36/991096736.db2.gz NWZDEPQMYSPYHY-FQEVSTJZSA-N 2 0 421.589 3.884 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000465959050 991101534 /nfs/dbraw/zinc/10/15/34/991101534.db2.gz RYTJBLYUURRTEP-HSZRJFAPSA-N 2 0 400.611 3.806 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000466004058 991169181 /nfs/dbraw/zinc/16/91/81/991169181.db2.gz COPVDDSRPRZPMT-FQEVSTJZSA-N 2 0 420.601 3.610 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000466024065 991193023 /nfs/dbraw/zinc/19/30/23/991193023.db2.gz VSAOYYKZQLVLQO-NRFANRHFSA-N 2 0 412.553 3.551 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073887 991247180 /nfs/dbraw/zinc/24/71/80/991247180.db2.gz FLFWDCXWNFMOCO-UYAOXDASSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000466078801 991253119 /nfs/dbraw/zinc/25/31/19/991253119.db2.gz OEQGDPXMERSYIM-WIYYLYMNSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466137023 991317907 /nfs/dbraw/zinc/31/79/07/991317907.db2.gz GRRDXLRFEMUXGP-HYBUGGRVSA-N 2 0 406.574 3.613 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(I)c(C)c1 ZINC000466361774 991631908 /nfs/dbraw/zinc/63/19/08/991631908.db2.gz XZDRVCZSOCFSGV-UHFFFAOYSA-N 2 0 418.282 3.779 20 0 HHADRP Brc1cncc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000466462896 991754150 /nfs/dbraw/zinc/75/41/50/991754150.db2.gz DPIJKQXVILTTSE-UHFFFAOYSA-N 2 0 417.395 3.532 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)c2)C1 ZINC000466467016 991757203 /nfs/dbraw/zinc/75/72/03/991757203.db2.gz SXRDXAQIEIIDHN-NQKNOSNGSA-N 2 0 411.512 3.842 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466512275 991797705 /nfs/dbraw/zinc/79/77/05/991797705.db2.gz DRKKXQOVZGGNLB-CTNGQTDRSA-N 2 0 410.562 3.548 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466512280 991798228 /nfs/dbraw/zinc/79/82/28/991798228.db2.gz DRKKXQOVZGGNLB-PZJWPPBQSA-N 2 0 410.562 3.548 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466535605 991837122 /nfs/dbraw/zinc/83/71/22/991837122.db2.gz GSIPPHHJZFMKKV-YKSBVNFPSA-N 2 0 408.590 3.943 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467403611 992710527 /nfs/dbraw/zinc/71/05/27/992710527.db2.gz WYHQWQBEZYARPM-OAQYLSRUSA-N 2 0 424.427 3.534 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849987 993081778 /nfs/dbraw/zinc/08/17/78/993081778.db2.gz IDJRKBINUVOEAT-SCWSEQNSSA-N 2 0 403.364 3.983 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472290758 993306683 /nfs/dbraw/zinc/30/66/83/993306683.db2.gz IKIYRZDGDLFSKQ-INIZCTEOSA-N 2 0 402.366 3.755 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472359650 993357916 /nfs/dbraw/zinc/35/79/16/993357916.db2.gz HQBYMYRGTPJHDV-DEOSSOPVSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472365619 993363060 /nfs/dbraw/zinc/36/30/60/993363060.db2.gz PFVFNHUGBAIUMU-XMMPIXPASA-N 2 0 420.601 3.815 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000472456223 993458475 /nfs/dbraw/zinc/45/84/75/993458475.db2.gz RRSYCEADMTXBHS-UHFFFAOYSA-N 2 0 424.427 3.708 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714798 993583932 /nfs/dbraw/zinc/58/39/32/993583932.db2.gz QWQMWOQDRRYNHK-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714795 993584063 /nfs/dbraw/zinc/58/40/63/993584063.db2.gz QWQMWOQDRRYNHK-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472678192 993600213 /nfs/dbraw/zinc/60/02/13/993600213.db2.gz NYYQVFKYPJHADM-JOCHJYFZSA-N 2 0 407.558 3.752 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3OC(F)F)cn2)CC1 ZINC000480739474 993605501 /nfs/dbraw/zinc/60/55/01/993605501.db2.gz ZRGYWDYJPYVQMZ-HNNXBMFYSA-N 2 0 408.468 3.815 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(OC(F)(F)F)c3)cn2)CC1 ZINC000480739172 993605637 /nfs/dbraw/zinc/60/56/37/993605637.db2.gz MALFSFJCNFPNCS-INIZCTEOSA-N 2 0 408.468 3.973 20 0 HHADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1OCC ZINC000480740455 993607708 /nfs/dbraw/zinc/60/77/08/993607708.db2.gz WAZHYEFBRIOSHN-LJQANCHMSA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000472715546 993639477 /nfs/dbraw/zinc/63/94/77/993639477.db2.gz PXUCHXCAUSYSAA-QHCPKHFHSA-N 2 0 416.610 3.680 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779418 993645864 /nfs/dbraw/zinc/64/58/64/993645864.db2.gz KODJUDJDLOCLRR-PXDATVDWSA-N 2 0 420.601 3.843 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895942 993754328 /nfs/dbraw/zinc/75/43/28/993754328.db2.gz HYVFZGGDXZRELF-QFIPXVFZSA-N 2 0 414.391 3.974 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000481024410 993868394 /nfs/dbraw/zinc/86/83/94/993868394.db2.gz YNAAXNGRXNRNNN-NTKDMRAZSA-N 2 0 424.564 3.752 20 0 HHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000481121242 993956941 /nfs/dbraw/zinc/95/69/41/993956941.db2.gz USOUUYRAJXXOLW-IBGZPJMESA-N 2 0 420.557 3.849 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000481245653 994072230 /nfs/dbraw/zinc/07/22/30/994072230.db2.gz IAZZPFPKASEFMS-KXBFYZLASA-N 2 0 415.379 3.934 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000481306994 994123151 /nfs/dbraw/zinc/12/31/51/994123151.db2.gz NASGJIDKDTTWNS-MBSDFSHPSA-N 2 0 409.565 3.656 20 0 HHADRP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481407263 994241121 /nfs/dbraw/zinc/24/11/21/994241121.db2.gz SPEKTAYZISUWQA-HNNXBMFYSA-N 2 0 420.351 3.679 20 0 HHADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502560 994350821 /nfs/dbraw/zinc/35/08/21/994350821.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 2 0 415.626 3.599 20 0 HHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000481545880 994377684 /nfs/dbraw/zinc/37/76/84/994377684.db2.gz PDPLXXBTHXJSDO-SFHVURJKSA-N 2 0 416.587 3.662 20 0 HHADRP C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000481553248 994385665 /nfs/dbraw/zinc/38/56/65/994385665.db2.gz RTMJUWXZORBDCP-AWEZNQCLSA-N 2 0 421.335 3.969 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000481666551 994527157 /nfs/dbraw/zinc/52/71/57/994527157.db2.gz JBQFCOCPRGLAQA-MRXNPFEDSA-N 2 0 407.480 3.718 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000481686195 994546437 /nfs/dbraw/zinc/54/64/37/994546437.db2.gz OGUFEHRCIIDBQI-URXFXBBRSA-N 2 0 408.590 3.861 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000481730387 994588062 /nfs/dbraw/zinc/58/80/62/994588062.db2.gz CPKGNQOLPSSSNP-IBGZPJMESA-N 2 0 415.603 3.822 20 0 HHADRP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000481818298 994668167 /nfs/dbraw/zinc/66/81/67/994668167.db2.gz VHWUOVYPAXYVRF-RUZDIDTESA-N 2 0 418.585 3.735 20 0 HHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915209 994787376 /nfs/dbraw/zinc/78/73/76/994787376.db2.gz LMQSJINTAFCPMI-QFBILLFUSA-N 2 0 416.031 3.801 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3ccccc3C(F)(F)F)cn2)CC1 ZINC000481921641 994793040 /nfs/dbraw/zinc/79/30/40/994793040.db2.gz NMWIMBPGPUFZSS-KRWDZBQOSA-N 2 0 406.496 3.963 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889072 994839497 /nfs/dbraw/zinc/83/94/97/994839497.db2.gz ZWQURZLICPTROC-FSSWDIPSSA-N 2 0 414.638 3.954 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474013782 995004414 /nfs/dbraw/zinc/00/44/14/995004414.db2.gz UXWXPKCXKKCFGG-GOSISDBHSA-N 2 0 416.312 3.778 20 0 HHADRP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474027648 995019396 /nfs/dbraw/zinc/01/93/96/995019396.db2.gz JJKCZYMYLVLEJM-NZQKXSOJSA-N 2 0 400.611 3.975 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1)C1CCOCC1 ZINC000474055359 995043923 /nfs/dbraw/zinc/04/39/23/995043923.db2.gz SSGYJBOAJLACIK-GVXSCFBNSA-N 2 0 416.606 3.861 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000482242806 995224931 /nfs/dbraw/zinc/22/49/31/995224931.db2.gz LZJALBCCYAVYAX-CYBMUJFWSA-N 2 0 410.381 3.653 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)CC1 ZINC000482272800 995249981 /nfs/dbraw/zinc/24/99/81/995249981.db2.gz IBCAXRRQSLQYCL-UHFFFAOYSA-N 2 0 411.565 3.537 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482284519 995263458 /nfs/dbraw/zinc/26/34/58/995263458.db2.gz BQFLEQLVEUOPGZ-LADGPHEKSA-N 2 0 410.606 3.557 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000474277556 995273703 /nfs/dbraw/zinc/27/37/03/995273703.db2.gz MHUNQAWCPIRSOX-RTBURBONSA-N 2 0 400.542 3.723 20 0 HHADRP Cc1ccccc1-n1nccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000474278607 995274532 /nfs/dbraw/zinc/27/45/32/995274532.db2.gz XAJNNPMFDIQZIM-UHFFFAOYSA-N 2 0 409.622 3.809 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000474294254 995285146 /nfs/dbraw/zinc/28/51/46/995285146.db2.gz SAYSZTXUCCNDHH-UHFFFAOYSA-N 2 0 415.578 3.539 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000482359891 995341223 /nfs/dbraw/zinc/34/12/23/995341223.db2.gz RPKUMTRIVHKEPB-UHFFFAOYSA-N 2 0 409.574 3.885 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000474367881 995348641 /nfs/dbraw/zinc/34/86/41/995348641.db2.gz QJPDXVOLIZIKOD-QFIPXVFZSA-N 2 0 421.589 3.567 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000474474432 995433777 /nfs/dbraw/zinc/43/37/77/995433777.db2.gz RZCYRJXXMLFRLB-QGZVFWFLSA-N 2 0 422.333 3.830 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000482442980 995439114 /nfs/dbraw/zinc/43/91/14/995439114.db2.gz DYJUBHBPXCUJNN-KRWDZBQOSA-N 2 0 423.483 3.628 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000474482657 995440950 /nfs/dbraw/zinc/44/09/50/995440950.db2.gz NMRMPPRBAIZGMK-SFHVURJKSA-N 2 0 400.588 3.718 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccsc2S1 ZINC000482445647 995442912 /nfs/dbraw/zinc/44/29/12/995442912.db2.gz BBMSTYBRZWUFNZ-FUHWJXTLSA-N 2 0 403.621 3.656 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000482455076 995456451 /nfs/dbraw/zinc/45/64/51/995456451.db2.gz FTLIQTXJOGZUIW-LMNJBCLMSA-N 2 0 424.427 3.754 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000474517696 995481699 /nfs/dbraw/zinc/48/16/99/995481699.db2.gz LLTXYZDFFIWJFQ-PMACEKPBSA-N 2 0 412.578 3.509 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000482508942 995519443 /nfs/dbraw/zinc/51/94/43/995519443.db2.gz KHZWPAJWKPQMJH-OALUTQOASA-N 2 0 400.636 3.967 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000482529432 995538033 /nfs/dbraw/zinc/53/80/33/995538033.db2.gz GTJMFXXTMNVXIV-LJQANCHMSA-N 2 0 407.562 3.718 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000474597999 995555937 /nfs/dbraw/zinc/55/59/37/995555937.db2.gz IEKLXACKHXBGIN-UHFFFAOYSA-N 2 0 401.595 3.690 20 0 HHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC3)cc1 ZINC000482550408 995557695 /nfs/dbraw/zinc/55/76/95/995557695.db2.gz QGWWYLVDJSKVDX-RBUKOAKNSA-N 2 0 412.603 3.673 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482555556 995562970 /nfs/dbraw/zinc/56/29/70/995562970.db2.gz ZFXKJTMXWLZLKS-OAQYLSRUSA-N 2 0 421.589 3.592 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482559993 995566546 /nfs/dbraw/zinc/56/65/46/995566546.db2.gz ZCZMLXGPOBFKCG-QGZVFWFLSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000474619175 995570153 /nfs/dbraw/zinc/57/01/53/995570153.db2.gz XTWGMQRWWNZFFE-RTBURBONSA-N 2 0 408.521 3.910 20 0 HHADRP COC1CCN(C2(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CCCC2)CC1 ZINC000482642819 995637882 /nfs/dbraw/zinc/63/78/82/995637882.db2.gz CMGSUVWYSCXZPS-HXUWFJFHSA-N 2 0 403.611 3.701 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474793614 995713242 /nfs/dbraw/zinc/71/32/42/995713242.db2.gz FWBRGTKXTHGMOW-UHFFFAOYSA-N 2 0 409.290 3.793 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000482873158 995807525 /nfs/dbraw/zinc/80/75/25/995807525.db2.gz KHSBSABOMSVPSW-SFHVURJKSA-N 2 0 411.546 3.979 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475147744 995953470 /nfs/dbraw/zinc/95/34/70/995953470.db2.gz HRLHPPIWSKJKAU-SANMLTNESA-N 2 0 420.601 3.946 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000475147963 995954062 /nfs/dbraw/zinc/95/40/62/995954062.db2.gz ARXKLWHASCXYSK-HNAYVOBHSA-N 2 0 409.452 3.655 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000475153471 995957657 /nfs/dbraw/zinc/95/76/57/995957657.db2.gz DBVGMLWNCLBRJO-UTKZUKDTSA-N 2 0 409.530 3.820 20 0 HHADRP Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000483299496 996087088 /nfs/dbraw/zinc/08/70/88/996087088.db2.gz VULIGHYKMRYVRK-UXHICEINSA-N 2 0 417.619 3.679 20 0 HHADRP CS[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483387981 996144728 /nfs/dbraw/zinc/14/47/28/996144728.db2.gz CTKMPEZWGCKMDR-DNQXCXABSA-N 2 0 423.626 3.970 20 0 HHADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483409620 996159641 /nfs/dbraw/zinc/15/96/41/996159641.db2.gz ULFNQXYRRXRIIB-MRXNPFEDSA-N 2 0 411.512 3.701 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483622590 996291895 /nfs/dbraw/zinc/29/18/95/996291895.db2.gz JHJBBOSMFLWFOT-JOCHJYFZSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483622591 996292016 /nfs/dbraw/zinc/29/20/16/996292016.db2.gz JHJBBOSMFLWFOT-QFIPXVFZSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639073 996301833 /nfs/dbraw/zinc/30/18/33/996301833.db2.gz OAUSQKSRQZILDM-FQEVSTJZSA-N 2 0 400.611 3.554 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736930 996335949 /nfs/dbraw/zinc/33/59/49/996335949.db2.gz XYYUOGGBNRBXBD-RSXGOPAZSA-N 2 0 424.585 3.561 20 0 HHADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483715691 996345795 /nfs/dbraw/zinc/34/57/95/996345795.db2.gz XEHOIYSNSPEOQN-VQTJNVASSA-N 2 0 415.603 3.788 20 0 HHADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000483715689 996346090 /nfs/dbraw/zinc/34/60/90/996346090.db2.gz XEHOIYSNSPEOQN-UXHICEINSA-N 2 0 415.603 3.788 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475900422 996454679 /nfs/dbraw/zinc/45/46/79/996454679.db2.gz WAYCKBFLYIEERO-RUZDIDTESA-N 2 0 412.622 3.806 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475900322 996454762 /nfs/dbraw/zinc/45/47/62/996454762.db2.gz OUQVYJOWIJJLOP-VWLOTQADSA-N 2 0 412.622 3.949 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000476024689 996550274 /nfs/dbraw/zinc/55/02/74/996550274.db2.gz RFDKVANIXNHLEB-RUZDIDTESA-N 2 0 412.622 3.806 20 0 HHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000484307939 996692820 /nfs/dbraw/zinc/69/28/20/996692820.db2.gz LPXSHYOBABVORH-MRXNPFEDSA-N 2 0 411.537 3.874 20 0 HHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484493943 996817155 /nfs/dbraw/zinc/81/71/55/996817155.db2.gz DBOWFVLFTVEABP-KCESLBEFSA-N 2 0 415.603 3.865 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1F ZINC000476378176 996817537 /nfs/dbraw/zinc/81/75/37/996817537.db2.gz HUMDWBXJCMPHEH-UHFFFAOYSA-N 2 0 404.574 3.685 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000476442371 996913458 /nfs/dbraw/zinc/91/34/58/996913458.db2.gz GEOUFMNPNYAUID-UHFFFAOYSA-N 2 0 420.960 3.814 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1)C[C@@H]1CCCCO1 ZINC000484656669 996993825 /nfs/dbraw/zinc/99/38/25/996993825.db2.gz RKGZSXRFOMQKID-GGAORHGYSA-N 2 0 416.610 3.882 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728042 997277311 /nfs/dbraw/zinc/27/73/11/997277311.db2.gz PICAGXRFOOPEOY-LEWJYISDSA-N 2 0 400.592 3.561 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000476800475 997348961 /nfs/dbraw/zinc/34/89/61/997348961.db2.gz BTIBYTIPGTZFFQ-FXAWDEMLSA-N 2 0 422.017 3.676 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000485000057 997363500 /nfs/dbraw/zinc/36/35/00/997363500.db2.gz FDPMQIPBMAEYBR-QUCCMNQESA-N 2 0 420.598 3.752 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260441 997653568 /nfs/dbraw/zinc/65/35/68/997653568.db2.gz NFRDPBKZVBAONJ-KNQAVFIVSA-N 2 0 412.578 3.920 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260442 997653670 /nfs/dbraw/zinc/65/36/70/997653670.db2.gz NFRDPBKZVBAONJ-SIKLNZKXSA-N 2 0 412.578 3.920 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000485394852 997822722 /nfs/dbraw/zinc/82/27/22/997822722.db2.gz AXWCPFGDOWZWQM-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000477280130 997959647 /nfs/dbraw/zinc/95/96/47/997959647.db2.gz SMWWUFJODWWGIE-QILAJZQNSA-N 2 0 420.601 3.955 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000485504069 997961747 /nfs/dbraw/zinc/96/17/47/997961747.db2.gz SCAPNVTVCOKROK-UHFFFAOYSA-N 2 0 404.624 3.620 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc4ncsc4c3)CC2)cc1 ZINC000485839968 998305609 /nfs/dbraw/zinc/30/56/09/998305609.db2.gz JNQCIFJSHRBRHO-IBGZPJMESA-N 2 0 422.598 3.990 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000486026596 998472863 /nfs/dbraw/zinc/47/28/63/998472863.db2.gz GKPJNBBPLLCXPP-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000478002088 998708358 /nfs/dbraw/zinc/70/83/58/998708358.db2.gz ZSTVKARPNDJZBD-FPOVZHCZSA-N 2 0 400.567 3.642 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315815 998708923 /nfs/dbraw/zinc/70/89/23/998708923.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 2 0 420.601 3.861 20 0 HHADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319704 998711031 /nfs/dbraw/zinc/71/10/31/998711031.db2.gz KJGTZTIPMDUPGR-KCZVDYSFSA-N 2 0 400.611 3.707 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031567 998724218 /nfs/dbraw/zinc/72/42/18/998724218.db2.gz VFOXQDKYZXCQKS-WOJBJXKFSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000478052825 998737958 /nfs/dbraw/zinc/73/79/58/998737958.db2.gz HWVLJRKUMXCZOJ-KRWDZBQOSA-N 2 0 402.970 3.824 20 0 HHADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400024 998748462 /nfs/dbraw/zinc/74/84/62/998748462.db2.gz CYYNJHYJDGFUSF-RXVVDRJESA-N 2 0 411.512 3.936 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)(N2CCCCC2)CC1 ZINC000478195616 998816709 /nfs/dbraw/zinc/81/67/09/998816709.db2.gz KHPYROZLVFFMLJ-UHFFFAOYSA-N 2 0 401.595 3.682 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478293528 998869708 /nfs/dbraw/zinc/86/97/08/998869708.db2.gz ZHJICLAAGMJKQA-SFHVURJKSA-N 2 0 418.029 3.939 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000478408804 998942317 /nfs/dbraw/zinc/94/23/17/998942317.db2.gz BFIYVDNIWXGIIG-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478411948 998943533 /nfs/dbraw/zinc/94/35/33/998943533.db2.gz DJARICRXGCKDDA-QFIPXVFZSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486964355 999020307 /nfs/dbraw/zinc/02/03/07/999020307.db2.gz KBPIRQLNOAWNLC-JTHBVZDNSA-N 2 0 400.611 3.852 20 0 HHADRP c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977436 999025078 /nfs/dbraw/zinc/02/50/78/999025078.db2.gz OZHUIKIGLXLBQE-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000487006436 999033520 /nfs/dbraw/zinc/03/35/20/999033520.db2.gz FLOGKBNSGSANHM-OAQYLSRUSA-N 2 0 400.567 3.549 20 0 HHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487262257 999116779 /nfs/dbraw/zinc/11/67/79/999116779.db2.gz AYSABSOKHYZCLW-YKSBVNFPSA-N 2 0 423.626 3.876 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000478795365 999144562 /nfs/dbraw/zinc/14/45/62/999144562.db2.gz IRIURCVWDLCEAQ-QFIPXVFZSA-N 2 0 400.542 3.768 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000478896500 999199339 /nfs/dbraw/zinc/19/93/39/999199339.db2.gz FITUQDKBXMKJDB-OFVILXPXSA-N 2 0 422.617 3.993 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520376 999206407 /nfs/dbraw/zinc/20/64/07/999206407.db2.gz PJSOZOGSPLTCBL-PXDATVDWSA-N 2 0 420.601 3.861 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000478935580 999213250 /nfs/dbraw/zinc/21/32/50/999213250.db2.gz YNEFHSLYAWJROL-YKSBVNFPSA-N 2 0 408.590 3.950 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479253958 999348977 /nfs/dbraw/zinc/34/89/77/999348977.db2.gz MXWRFJVORMRSSY-NRFANRHFSA-N 2 0 403.364 3.832 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077178 999368846 /nfs/dbraw/zinc/36/88/46/999368846.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 2 0 408.590 3.717 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1cccc(OC)c1 ZINC000488127784 999385004 /nfs/dbraw/zinc/38/50/04/999385004.db2.gz KTTUZGZRALDDOT-XXBNENTESA-N 2 0 416.610 3.594 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000479335905 999391289 /nfs/dbraw/zinc/39/12/89/999391289.db2.gz MYJSKKXDVGPXLT-DHIUTWEWSA-N 2 0 409.574 3.660 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000479356964 999401034 /nfs/dbraw/zinc/40/10/34/999401034.db2.gz YFRAGQBVWRWOFJ-OWADITBSSA-N 2 0 412.622 3.931 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000479357089 999401502 /nfs/dbraw/zinc/40/15/02/999401502.db2.gz HNMUQTOQTFKOFM-NZQKXSOJSA-N 2 0 400.611 3.790 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000488405164 999477158 /nfs/dbraw/zinc/47/71/58/999477158.db2.gz JGDDSPGJLHMNJE-KRWDZBQOSA-N 2 0 424.427 3.850 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000479610809 999500099 /nfs/dbraw/zinc/50/00/99/999500099.db2.gz FVLKNNSHNAFGQM-OAQYLSRUSA-N 2 0 420.601 3.505 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478570 999501426 /nfs/dbraw/zinc/50/14/26/999501426.db2.gz PNTLBZWSVYIENC-YKSBVNFPSA-N 2 0 423.626 3.876 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564331 999529252 /nfs/dbraw/zinc/52/92/52/999529252.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 2 0 420.601 3.859 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564336 999529320 /nfs/dbraw/zinc/52/93/20/999529320.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 2 0 420.601 3.859 20 0 HHADRP c1ccc(CN2CCC([NH+]3CCCC3)CC2)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000488568345 999530565 /nfs/dbraw/zinc/53/05/65/999530565.db2.gz LVNRMZXWXQDNCO-UHFFFAOYSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488596045 999540299 /nfs/dbraw/zinc/54/02/99/999540299.db2.gz NAFKMLCWVLDGOI-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616190 999546977 /nfs/dbraw/zinc/54/69/77/999546977.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480047249 999700432 /nfs/dbraw/zinc/70/04/32/999700432.db2.gz JCHBHOREDDALJX-INIZCTEOSA-N 2 0 419.591 3.718 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000480140370 999728532 /nfs/dbraw/zinc/72/85/32/999728532.db2.gz CBCODWQFLQYUGA-QGZVFWFLSA-N 2 0 404.576 3.791 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489247949 999729812 /nfs/dbraw/zinc/72/98/12/999729812.db2.gz KWKZPVMAZQJZJX-GCJKJVERSA-N 2 0 414.619 3.951 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738814 /nfs/dbraw/zinc/73/88/14/999738814.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 2 0 420.601 3.815 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000480228941 999750851 /nfs/dbraw/zinc/75/08/51/999750851.db2.gz RZLSKUPIIRKNST-ONOMSOESSA-N 2 0 413.631 3.985 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000480233318 999752368 /nfs/dbraw/zinc/75/23/68/999752368.db2.gz UZOBICCLVWPEFP-BXPHIWAKSA-N 2 0 400.588 3.884 20 0 HHADRP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)c3)CC[C@H]21 ZINC000489399810 999759040 /nfs/dbraw/zinc/75/90/40/999759040.db2.gz ZCOMPNXOGDIYQB-VEYUFSJPSA-N 4 0 410.650 3.519 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489407762 999760692 /nfs/dbraw/zinc/76/06/92/999760692.db2.gz UUJMPHAZBFERBF-GBXCKJPGSA-N 2 0 408.590 3.848 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000480273156 999760723 /nfs/dbraw/zinc/76/07/23/999760723.db2.gz GQJXPJWEHZLZFK-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430280 999765752 /nfs/dbraw/zinc/76/57/52/999765752.db2.gz GRDODQKTCQKTIN-HBMCJLEFSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329047 999772626 /nfs/dbraw/zinc/77/26/26/999772626.db2.gz GATGLZLNQACHOM-PBHICJAKSA-N 2 0 417.413 3.768 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000489587501 999797976 /nfs/dbraw/zinc/79/79/76/999797976.db2.gz PSVRXGUFRBTLHU-FQEVSTJZSA-N 2 0 400.954 3.799 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480452753 999802451 /nfs/dbraw/zinc/80/24/51/999802451.db2.gz BLXODBDZGXZUBG-LJQANCHMSA-N 2 0 415.603 3.774 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Br)c(F)c3)cn2)CC1 ZINC000489614841 999803141 /nfs/dbraw/zinc/80/31/41/999803141.db2.gz ZUKWLMUQHAQARE-OAHLLOKOSA-N 2 0 421.358 3.976 20 0 HHADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000480521148 999817462 /nfs/dbraw/zinc/81/74/62/999817462.db2.gz APTDFDSFDBUYOF-RPBOFIJWSA-N 2 0 413.581 3.980 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522152 999817698 /nfs/dbraw/zinc/81/76/98/999817698.db2.gz CJWCQVMUGOQRDX-MZKRTTBSSA-N 2 0 413.606 3.567 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604394 999838699 /nfs/dbraw/zinc/83/86/99/999838699.db2.gz BELAAQRMGIHKCL-NHCUHLMSSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821718 999844057 /nfs/dbraw/zinc/84/40/57/999844057.db2.gz BIUIRWXDNWYISF-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489832900 999846001 /nfs/dbraw/zinc/84/60/01/999846001.db2.gz CDCSIFVKKZYODP-WIOPSUGQSA-N 2 0 422.617 3.979 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844111 999848247 /nfs/dbraw/zinc/84/82/47/999848247.db2.gz XMVIAPBHFLZBSQ-RDPSFJRHSA-N 2 0 424.589 3.796 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000489890938 999856426 /nfs/dbraw/zinc/85/64/26/999856426.db2.gz OPNKFNAIKVPKEP-UHFFFAOYSA-N 2 0 420.601 3.741 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712191 999865494 /nfs/dbraw/zinc/86/54/94/999865494.db2.gz ILXLZZPFFLMDRH-RBBKRZOGSA-N 2 0 413.606 3.657 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000490088281 999891257 /nfs/dbraw/zinc/89/12/57/999891257.db2.gz LAHZFEUWHXIBSN-RPWUZVMVSA-N 2 0 422.573 3.534 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173577 999904854 /nfs/dbraw/zinc/90/48/54/999904854.db2.gz WMTFQICKPOGSDZ-PGRDOPGGSA-N 2 0 403.517 3.993 20 0 HHADRP COc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cc1 ZINC000490179362 999905888 /nfs/dbraw/zinc/90/58/88/999905888.db2.gz YRJMIOSRFJGXKD-AREMUKBSSA-N 2 0 416.569 3.982 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490932094 1000025131 /nfs/dbraw/zinc/02/51/31/1000025131.db2.gz HOHCUPUJOZGPRT-HSZRJFAPSA-N 2 0 424.614 3.674 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000491054174 1000039638 /nfs/dbraw/zinc/03/96/38/1000039638.db2.gz QCQPXIOZLQVTJE-JOCHJYFZSA-N 2 0 401.526 3.951 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCC1)c1ccccc1 ZINC000491322003 1000064995 /nfs/dbraw/zinc/06/49/95/1000064995.db2.gz KCLTXHMOPYCPFM-IBGZPJMESA-N 2 0 424.593 3.935 20 0 HHADRP C[NH+]1CCC(n2ccc(NC(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)n2)CC1 ZINC000491398486 1000071554 /nfs/dbraw/zinc/07/15/54/1000071554.db2.gz FWBNVTDWLVMODF-UHFFFAOYSA-N 2 0 424.593 3.848 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)C1 ZINC000491432141 1000074522 /nfs/dbraw/zinc/07/45/22/1000074522.db2.gz MUNWNEFVNFAZMG-LJQANCHMSA-N 2 0 424.593 3.703 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000493245651 1000165093 /nfs/dbraw/zinc/16/50/93/1000165093.db2.gz DXJMSXCOEGICDE-IBGZPJMESA-N 2 0 407.327 3.724 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(c4ccc(Br)cc4)C3)ccn2)CC1 ZINC000493916600 1000212376 /nfs/dbraw/zinc/21/23/76/1000212376.db2.gz LJNKNFGOVQJYDY-UHFFFAOYSA-N 2 0 415.379 3.632 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](COC)c3ccc(Cl)cc3)cc2)CC1 ZINC000493971292 1000244869 /nfs/dbraw/zinc/24/48/69/1000244869.db2.gz WPXPHHGZZMGVQA-QHCPKHFHSA-N 2 0 401.982 3.955 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660829 1000313670 /nfs/dbraw/zinc/31/36/70/1000313670.db2.gz CJQQEIUADOFTQQ-VXKWHMMOSA-N 2 0 414.638 3.548 20 0 HHADRP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504909009 1000442336 /nfs/dbraw/zinc/44/23/36/1000442336.db2.gz NLIDSSGLFUTYBD-HYBUGGRVSA-N 2 0 406.574 3.570 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000494461303 1000504358 /nfs/dbraw/zinc/50/43/58/1000504358.db2.gz NUSNKLIHEIFWHZ-INIZCTEOSA-N 2 0 418.582 3.582 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]C2CC(c3ccc(Br)cc3)C2)ccn1 ZINC000494593220 1000567055 /nfs/dbraw/zinc/56/70/55/1000567055.db2.gz WNGGRHYPPZLXHU-UHFFFAOYSA-N 2 0 404.352 3.820 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505135567 1000569760 /nfs/dbraw/zinc/56/97/60/1000569760.db2.gz JZUWHVISEITUCC-VQTJNVASSA-N 2 0 417.500 3.690 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505135569 1000569914 /nfs/dbraw/zinc/56/99/14/1000569914.db2.gz JZUWHVISEITUCC-WOJBJXKFSA-N 2 0 417.500 3.690 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3cccnc3)c3cccc(Cl)c3)cn2)CC1 ZINC000495261036 1000943008 /nfs/dbraw/zinc/94/30/08/1000943008.db2.gz UCGMCHOREDWDLC-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000495299364 1000957881 /nfs/dbraw/zinc/95/78/81/1000957881.db2.gz KBBCUFKNVKACHD-LJQANCHMSA-N 2 0 420.598 3.707 20 0 HHADRP O=C(N[C@H]1CC[NH+]2CCCC[C@H]12)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691511 1000977672 /nfs/dbraw/zinc/97/76/72/1000977672.db2.gz HGKVPWXWQMWBFN-VQTJNVASSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000495420373 1001006110 /nfs/dbraw/zinc/00/61/10/1001006110.db2.gz HLQXPJCPGMFBOG-WFXMLNOXSA-N 2 0 401.576 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000505800704 1001033266 /nfs/dbraw/zinc/03/32/66/1001033266.db2.gz DMULFTMXRWAJDX-OAHLLOKOSA-N 2 0 416.791 3.591 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505857477 1001064471 /nfs/dbraw/zinc/06/44/71/1001064471.db2.gz RPKLXANYESHXOI-GMAHTHKFSA-N 2 0 421.585 3.557 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000505936275 1001112883 /nfs/dbraw/zinc/11/28/83/1001112883.db2.gz CMWCJRSAWAVHCY-QFIPXVFZSA-N 2 0 404.574 3.726 20 0 HHADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506031503 1001176340 /nfs/dbraw/zinc/17/63/40/1001176340.db2.gz LSEHXHTYZLIFPU-XMMPIXPASA-N 2 0 402.579 3.569 20 0 HHADRP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506047896 1001189396 /nfs/dbraw/zinc/18/93/96/1001189396.db2.gz RIGWHLABFFRCCH-GOSISDBHSA-N 2 0 405.608 3.560 20 0 HHADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050873 1001191192 /nfs/dbraw/zinc/19/11/92/1001191192.db2.gz FYBYEIDALXDWMF-CTNGQTDRSA-N 2 0 419.635 3.625 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC[NH+](C)CC1 ZINC000506152494 1001251135 /nfs/dbraw/zinc/25/11/35/1001251135.db2.gz FOCDZMOSPBHBRG-NRFANRHFSA-N 2 0 418.589 3.639 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302883 1001341399 /nfs/dbraw/zinc/34/13/99/1001341399.db2.gz XJUXDRPLBFVHKO-GGAORHGYSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000506330445 1001358851 /nfs/dbraw/zinc/35/88/51/1001358851.db2.gz JHZJHLDXUFMJKT-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473547 1001385485 /nfs/dbraw/zinc/38/54/85/1001385485.db2.gz UFVCDBGNICMZDF-LSTHTHJFSA-N 2 0 424.511 3.548 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000497582977 1001446075 /nfs/dbraw/zinc/44/60/75/1001446075.db2.gz SOCGBTKQDNTTOP-NRFANRHFSA-N 2 0 400.567 3.704 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515688 1001447878 /nfs/dbraw/zinc/44/78/78/1001447878.db2.gz LQOPXSBDBAYFJF-OAQYLSRUSA-N 2 0 407.549 3.772 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594711 1001451586 /nfs/dbraw/zinc/45/15/86/1001451586.db2.gz CNBMSAJGYYORPF-FXAWDEMLSA-N 2 0 424.511 3.578 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000497633218 1001465968 /nfs/dbraw/zinc/46/59/68/1001465968.db2.gz LNQRPVIESVROMO-FDDCHVKYSA-N 2 0 412.553 3.953 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000497701143 1001490287 /nfs/dbraw/zinc/49/02/87/1001490287.db2.gz ILEHSHVAZILGGO-IZZBFERCSA-N 2 0 419.585 3.986 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497722781 1001495837 /nfs/dbraw/zinc/49/58/37/1001495837.db2.gz ZHTQWNPFNPWPKF-OAQYLSRUSA-N 2 0 400.611 3.982 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OCc1ccccc1 ZINC000506897872 1001585661 /nfs/dbraw/zinc/58/56/61/1001585661.db2.gz RXKCYRKTMWYYRQ-UHFFFAOYSA-N 2 0 410.558 3.818 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506915749 1001592220 /nfs/dbraw/zinc/59/22/20/1001592220.db2.gz WEZZLGUUXSSHDE-UHFFFAOYSA-N 2 0 402.970 3.687 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2nccn2Cc2ccccc2)C1 ZINC000506928671 1001598281 /nfs/dbraw/zinc/59/82/81/1001598281.db2.gz BDKZDXSPYVXYEM-FYYLOGMGSA-N 2 0 423.605 3.770 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000498031328 1001613530 /nfs/dbraw/zinc/61/35/30/1001613530.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 2 0 418.607 3.888 20 0 HHADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000498143895 1001661886 /nfs/dbraw/zinc/66/18/86/1001661886.db2.gz FZBJJHGUYGDRLT-CVDCTZTESA-N 2 0 410.562 3.680 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000498166284 1001671348 /nfs/dbraw/zinc/67/13/48/1001671348.db2.gz NNHWPACMVRLJCC-HMXCVIKNSA-N 2 0 404.986 3.603 20 0 HHADRP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012372 1001763623 /nfs/dbraw/zinc/76/36/23/1001763623.db2.gz JNJYUVICXFLJCZ-PZJWPPBQSA-N 2 0 415.578 3.679 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000498336532 1001783011 /nfs/dbraw/zinc/78/30/11/1001783011.db2.gz ROYJIZQYBXTTSM-UHFFFAOYSA-N 2 0 403.517 3.977 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)CC(C)C ZINC000507052968 1001783494 /nfs/dbraw/zinc/78/34/94/1001783494.db2.gz KJSLFZVLZNBZIJ-CTNGQTDRSA-N 2 0 403.615 3.865 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC000507142228 1001833546 /nfs/dbraw/zinc/83/35/46/1001833546.db2.gz JGZCBMIHTOESLF-UHFFFAOYSA-N 2 0 420.601 3.531 20 0 HHADRP Fc1ccc(C2=CC[C@H]([NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000498433220 1001863178 /nfs/dbraw/zinc/86/31/78/1001863178.db2.gz LGWONZCOGKZRSR-QHCPKHFHSA-N 2 0 409.553 3.744 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000498510863 1001934107 /nfs/dbraw/zinc/93/41/07/1001934107.db2.gz MSBAWQGHTDGHOQ-QFIPXVFZSA-N 2 0 415.622 3.991 20 0 HHADRP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000498526208 1001946873 /nfs/dbraw/zinc/94/68/73/1001946873.db2.gz VBFPVKNJXLLVMT-QFIPXVFZSA-N 2 0 423.523 3.775 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000498555053 1001969581 /nfs/dbraw/zinc/96/95/81/1001969581.db2.gz NYJTZPHSYUZCEI-DHIUTWEWSA-N 2 0 414.594 3.585 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507359964 1002022184 /nfs/dbraw/zinc/02/21/84/1002022184.db2.gz MDOVBSNPFJEZFK-JTHBVZDNSA-N 2 0 408.590 3.521 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498638754 1002040047 /nfs/dbraw/zinc/04/00/47/1002040047.db2.gz OBTFEJIVWSOSFD-NRFANRHFSA-N 2 0 411.512 3.631 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccc(Br)c1 ZINC000507488530 1002101796 /nfs/dbraw/zinc/10/17/96/1002101796.db2.gz VAKXSQQHSRLCDO-NMIHRBCNSA-N 2 0 415.375 3.983 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccc(Br)c1 ZINC000507488534 1002102028 /nfs/dbraw/zinc/10/20/28/1002102028.db2.gz VAKXSQQHSRLCDO-UVUJQTEASA-N 2 0 415.375 3.983 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@H]3C2)cc1 ZINC000507511186 1002121252 /nfs/dbraw/zinc/12/12/52/1002121252.db2.gz OBWKRNYSDGLELH-OEMFJLHTSA-N 2 0 407.558 3.640 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595871 1002202991 /nfs/dbraw/zinc/20/29/91/1002202991.db2.gz AJUYTVYRCKWTGE-FCEUIQTBSA-N 2 0 421.589 3.771 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944811 1002343864 /nfs/dbraw/zinc/34/38/64/1002343864.db2.gz UOVZUNLECUELJH-QUCCMNQESA-N 2 0 407.352 3.958 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000507894808 1002428423 /nfs/dbraw/zinc/42/84/23/1002428423.db2.gz JPMMFEPFJIJMNQ-UHFFFAOYSA-N 2 0 410.562 3.546 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000507910778 1002444430 /nfs/dbraw/zinc/44/44/30/1002444430.db2.gz BATCIUBHMZNNOU-UHFFFAOYSA-N 2 0 406.014 3.977 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104555 1002496729 /nfs/dbraw/zinc/49/67/29/1002496729.db2.gz WYBXKEBBJSQKNG-LEOXJPRUSA-N 2 0 412.553 3.638 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000499123069 1002509212 /nfs/dbraw/zinc/50/92/12/1002509212.db2.gz FQSBSXOUDQOSIF-BKFWDETESA-N 2 0 405.590 3.847 20 0 HHADRP Fc1cccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139404 1002524530 /nfs/dbraw/zinc/52/45/30/1002524530.db2.gz OXBNAPADZGLAIV-QYOOZWMWSA-N 2 0 423.576 3.984 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000499152816 1002537136 /nfs/dbraw/zinc/53/71/36/1002537136.db2.gz QDVSGBRBVQTKLN-GOSISDBHSA-N 2 0 418.601 3.655 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000508039304 1002561104 /nfs/dbraw/zinc/56/11/04/1002561104.db2.gz GNRPQTCPMWCAGG-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP CCn1c2ccccc2c2cc(C[NH2+]CCCN3CCC[C@@H]3C(=O)N(C)C)ccc21 ZINC000508087569 1002610441 /nfs/dbraw/zinc/61/04/41/1002610441.db2.gz LUIKBKCFCFZJHL-XMMPIXPASA-N 2 0 406.574 3.847 20 0 HHADRP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000508208616 1002740810 /nfs/dbraw/zinc/74/08/10/1002740810.db2.gz VNANWYAPMITDGK-UHFFFAOYSA-N 2 0 408.590 3.898 20 0 HHADRP O=C(NCCCCC[NH+]1CCCC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508233002 1002759861 /nfs/dbraw/zinc/75/98/61/1002759861.db2.gz ZCHSYTYZTZBRLG-NRFANRHFSA-N 2 0 411.512 3.823 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578754 1002955799 /nfs/dbraw/zinc/95/57/99/1002955799.db2.gz YNGIXGKGBVWAKE-VQTJNVASSA-N 2 0 410.562 3.754 20 0 HHADRP CCC[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1CCOC ZINC000499579152 1002956842 /nfs/dbraw/zinc/95/68/42/1002956842.db2.gz MDAIBYAUCRMZBN-QHCPKHFHSA-N 2 0 416.610 3.680 20 0 HHADRP C[NH+]1CCC(C)(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000508511420 1002994208 /nfs/dbraw/zinc/99/42/08/1002994208.db2.gz NSPRBDIXJJQBMH-UHFFFAOYSA-N 2 0 407.002 3.583 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499683851 1003038025 /nfs/dbraw/zinc/03/80/25/1003038025.db2.gz MTHYPMRNMDVUAR-UHFFFAOYSA-N 2 0 420.532 3.841 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712114 1003150672 /nfs/dbraw/zinc/15/06/72/1003150672.db2.gz BTVJRJDYHWOEBH-FKARDDIWSA-N 2 0 413.512 3.737 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712684 1003150820 /nfs/dbraw/zinc/15/08/20/1003150820.db2.gz ROMYTALSLJVDQV-RBBKRZOGSA-N 2 0 412.622 3.993 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713091 1003152211 /nfs/dbraw/zinc/15/22/11/1003152211.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 2 0 411.590 3.807 20 0 HHADRP C[C@H](Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714168 1003153787 /nfs/dbraw/zinc/15/37/87/1003153787.db2.gz UZXWIKYPWGYNNZ-TUACAJSNSA-N 2 0 420.601 3.706 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722157 1003162751 /nfs/dbraw/zinc/16/27/51/1003162751.db2.gz WQANDVKOUVANGP-RZFJZAQRSA-N 2 0 407.602 3.869 20 0 HHADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508786920 1003216310 /nfs/dbraw/zinc/21/63/10/1003216310.db2.gz YCIVTXCLFAVFBQ-NRFANRHFSA-N 2 0 411.512 3.772 20 0 HHADRP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508843780 1003264234 /nfs/dbraw/zinc/26/42/34/1003264234.db2.gz FTYONQGDNRMFGU-CVDCTZTESA-N 2 0 409.578 3.631 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849355 1003270011 /nfs/dbraw/zinc/27/00/11/1003270011.db2.gz BMWXPMJUUJYWOU-ODGPQVTHSA-N 2 0 408.590 3.841 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874915 1003294800 /nfs/dbraw/zinc/29/48/00/1003294800.db2.gz VMXODEHPRJDQAM-OFAXGOBFSA-N 2 0 412.578 3.597 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508899037 1003329969 /nfs/dbraw/zinc/32/99/69/1003329969.db2.gz SIEVQNJLFGRFLR-VGOFRKELSA-N 2 0 418.532 3.729 20 0 HHADRP Cc1c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)oc2c1c(C)ccc2C ZINC000500019686 1003346669 /nfs/dbraw/zinc/34/66/69/1003346669.db2.gz YSVMSLYAPPCVSP-UHFFFAOYSA-N 2 0 406.530 3.695 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000500098886 1003460986 /nfs/dbraw/zinc/46/09/86/1003460986.db2.gz NQCUSXFUJNVEQZ-XMMPIXPASA-N 2 0 408.590 3.992 20 0 HHADRP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000500124815 1003487070 /nfs/dbraw/zinc/48/70/70/1003487070.db2.gz OIRJHDJEACKCMO-HXUWFJFHSA-N 2 0 406.574 3.528 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021452 1003493845 /nfs/dbraw/zinc/49/38/45/1003493845.db2.gz HVGVBRFKUTXKMU-HMXCVIKNSA-N 2 0 407.002 3.849 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000500166905 1003520198 /nfs/dbraw/zinc/52/01/98/1003520198.db2.gz XHOKUOGYZDFYRZ-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500624485 1003840758 /nfs/dbraw/zinc/84/07/58/1003840758.db2.gz LZEZABBXEWOQLL-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000511871252 1003850487 /nfs/dbraw/zinc/85/04/87/1003850487.db2.gz ZXEILPOLHSNZLZ-KSNOWIBYSA-N 2 0 418.585 3.604 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000500678017 1003886954 /nfs/dbraw/zinc/88/69/54/1003886954.db2.gz KDOLESXWXDSJQB-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000500704594 1003906615 /nfs/dbraw/zinc/90/66/15/1003906615.db2.gz NFYFARHWBABMDK-UHFFFAOYSA-N 2 0 410.672 3.502 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000500725671 1003923659 /nfs/dbraw/zinc/92/36/59/1003923659.db2.gz QSLNPGLTUAGOMG-HXUWFJFHSA-N 2 0 401.599 3.523 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000500763146 1003943167 /nfs/dbraw/zinc/94/31/67/1003943167.db2.gz KYQHPBVVHMZRJQ-HSZRJFAPSA-N 2 0 400.611 3.895 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000500815673 1003976036 /nfs/dbraw/zinc/97/60/36/1003976036.db2.gz VGSYMCUSTHGPRV-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP CC1CC[NH+](CCC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000509681146 1004026305 /nfs/dbraw/zinc/02/63/05/1004026305.db2.gz MMXUPJGOPISFRT-UHFFFAOYSA-N 2 0 422.013 3.858 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512104803 1004026653 /nfs/dbraw/zinc/02/66/53/1004026653.db2.gz JRELMPXRNLKGQM-OFNKIYASSA-N 2 0 400.611 3.708 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509709397 1004042760 /nfs/dbraw/zinc/04/27/60/1004042760.db2.gz BTZCTDXUFMSWDR-UNMCSNQZSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509709395 1004043189 /nfs/dbraw/zinc/04/31/89/1004043189.db2.gz BTZCTDXUFMSWDR-RBBKRZOGSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155933 1004063660 /nfs/dbraw/zinc/06/36/60/1004063660.db2.gz LGEULARJFZARGR-VXKWHMMOSA-N 2 0 400.611 3.707 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512158241 1004065812 /nfs/dbraw/zinc/06/58/12/1004065812.db2.gz KKJHKNQJRDVKCT-QTJGBDASSA-N 2 0 424.633 3.945 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000509751165 1004071232 /nfs/dbraw/zinc/07/12/32/1004071232.db2.gz MDQWNMBXPCFGAF-KAGYGMCKSA-N 2 0 414.619 3.951 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175193 1004077520 /nfs/dbraw/zinc/07/75/20/1004077520.db2.gz KOBAGEUVOZUAIG-FGZHOGPDSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000512181092 1004082975 /nfs/dbraw/zinc/08/29/75/1004082975.db2.gz GWAPFZHNTNLIRF-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512184182 1004086314 /nfs/dbraw/zinc/08/63/14/1004086314.db2.gz XHLWCNUZEUASNU-HDICACEKSA-N 2 0 414.569 3.949 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018721 1004121577 /nfs/dbraw/zinc/12/15/77/1004121577.db2.gz FXTOZNOTZZQLSM-OALUTQOASA-N 2 0 410.562 3.504 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018723 1004121812 /nfs/dbraw/zinc/12/18/12/1004121812.db2.gz FXTOZNOTZZQLSM-RTBURBONSA-N 2 0 410.562 3.504 20 0 HHADRP C[N@H+](C[C@H](O)COc1cccc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027927 1004131811 /nfs/dbraw/zinc/13/18/11/1004131811.db2.gz XOVGXTGUETUZOU-QHCPKHFHSA-N 2 0 405.542 3.823 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041106 1004143018 /nfs/dbraw/zinc/14/30/18/1004143018.db2.gz VQYJYQBROYXYRC-XMMPIXPASA-N 2 0 406.574 3.984 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000512271672 1004172999 /nfs/dbraw/zinc/17/29/99/1004172999.db2.gz QSNPOSOQZPPIJB-UHFFFAOYSA-N 2 0 417.491 3.905 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000501070465 1004173559 /nfs/dbraw/zinc/17/35/59/1004173559.db2.gz DLGLORQXJOMCRS-NFBKMPQASA-N 2 0 400.611 3.803 20 0 HHADRP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000501070740 1004173632 /nfs/dbraw/zinc/17/36/32/1004173632.db2.gz UMJURJKSVUMCCF-HSZRJFAPSA-N 2 0 410.537 3.873 20 0 HHADRP C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091274 1004196899 /nfs/dbraw/zinc/19/68/99/1004196899.db2.gz VDRGPYBRWMRCOK-FQEVSTJZSA-N 2 0 423.479 3.689 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501100657 1004205263 /nfs/dbraw/zinc/20/52/63/1004205263.db2.gz PSDSBLYWTZWNIX-RMNGQBEXSA-N 2 0 414.638 3.906 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000509993927 1004253090 /nfs/dbraw/zinc/25/30/90/1004253090.db2.gz JPVZSSHGSPTMAZ-HSZRJFAPSA-N 2 0 421.589 3.615 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccsc1 ZINC000501173897 1004254399 /nfs/dbraw/zinc/25/43/99/1004254399.db2.gz KUVCKCTUPSAEEE-VQTJNVASSA-N 2 0 406.571 3.872 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391692 1004265624 /nfs/dbraw/zinc/26/56/24/1004265624.db2.gz GVISCIWCCQCJMG-PUHATCMVSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512399934 1004271111 /nfs/dbraw/zinc/27/11/11/1004271111.db2.gz WXHWICMJGHUCAL-UHFFFAOYSA-N 2 0 409.599 3.761 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429940 1004296611 /nfs/dbraw/zinc/29/66/11/1004296611.db2.gz KTSZKRBHUJYQAO-PRTQVNTJSA-N 2 0 400.611 3.801 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510098532 1004322347 /nfs/dbraw/zinc/32/23/47/1004322347.db2.gz GZNWTDMUADNLMA-QHCPKHFHSA-N 2 0 424.589 3.767 20 0 HHADRP CC[C@@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501348260 1004360384 /nfs/dbraw/zinc/36/03/84/1004360384.db2.gz CWQUBXRSENCUOZ-QHCPKHFHSA-N 2 0 400.611 3.587 20 0 HHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000512637089 1004449615 /nfs/dbraw/zinc/44/96/15/1004449615.db2.gz RIHRBPBOJMDSLM-NRWDCXGPSA-N 2 0 412.618 3.911 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648996 1004460127 /nfs/dbraw/zinc/46/01/27/1004460127.db2.gz PXGXUMGCMRXXMB-GVXSCFBNSA-N 2 0 407.558 3.914 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000512660379 1004471200 /nfs/dbraw/zinc/47/12/00/1004471200.db2.gz MMXMTQDTWSAZBU-ZUUKYVLSSA-N 2 0 411.634 3.842 20 0 HHADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512712091 1004511255 /nfs/dbraw/zinc/51/12/55/1004511255.db2.gz NXQGARZTALPCDE-IRLDBZIGSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512712093 1004511622 /nfs/dbraw/zinc/51/16/22/1004511622.db2.gz NXQGARZTALPCDE-RBBKRZOGSA-N 2 0 412.622 3.945 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510454058 1004576984 /nfs/dbraw/zinc/57/69/84/1004576984.db2.gz CRIFAWRXCVLTCR-QHCPKHFHSA-N 2 0 424.589 3.731 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512831080 1004589500 /nfs/dbraw/zinc/58/95/00/1004589500.db2.gz FDALZVWVINZHLK-GMAHTHKFSA-N 2 0 416.610 3.736 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000512847916 1004610786 /nfs/dbraw/zinc/61/07/86/1004610786.db2.gz XJANOCGCKNBCGR-LJQANCHMSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000501738258 1004664404 /nfs/dbraw/zinc/66/44/04/1004664404.db2.gz VJJXBTXYGWCTMQ-RTBURBONSA-N 2 0 421.029 3.972 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510570080 1004714467 /nfs/dbraw/zinc/71/44/67/1004714467.db2.gz FAYSNUYXEZGBBC-KNQAVFIVSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580457 1004728062 /nfs/dbraw/zinc/72/80/62/1004728062.db2.gz OJGZWJWLIXVRFJ-NZQKXSOJSA-N 2 0 412.622 3.851 20 0 HHADRP COc1ccc(-c2csc(NC(=O)CN3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000501786532 1004728732 /nfs/dbraw/zinc/72/87/32/1004728732.db2.gz RQEBQPGXJHBXRU-UHFFFAOYSA-N 2 0 416.591 3.811 20 0 HHADRP C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510595649 1004741797 /nfs/dbraw/zinc/74/17/97/1004741797.db2.gz GQSAZKBNZVSIED-HUHVMKPBSA-N 2 0 404.643 3.982 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(CCC(F)(F)F)cc1 ZINC000501808092 1004749014 /nfs/dbraw/zinc/74/90/14/1004749014.db2.gz WQVBJXWWWDAMFF-UHFFFAOYSA-N 2 0 420.479 3.519 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501810750 1004750504 /nfs/dbraw/zinc/75/05/04/1004750504.db2.gz SGAOSFVKGQQUDK-DNQXCXABSA-N 2 0 406.574 3.960 20 0 HHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000510686368 1004798798 /nfs/dbraw/zinc/79/87/98/1004798798.db2.gz MDAWXYOHBOPHFI-QGZVFWFLSA-N 2 0 406.496 3.963 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950806 1004950154 /nfs/dbraw/zinc/95/01/54/1004950154.db2.gz NCUVUSMVGJWQSM-PZJWPPBQSA-N 2 0 401.348 3.793 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[NH+](C2CCCC2)CC1 ZINC000513419572 1004956785 /nfs/dbraw/zinc/95/67/85/1004956785.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 2 0 405.533 3.621 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448294 1004971058 /nfs/dbraw/zinc/97/10/58/1004971058.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 2 0 411.512 3.822 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000513449682 1004972203 /nfs/dbraw/zinc/97/22/03/1004972203.db2.gz ZKBQZKNQHFGMKK-UWJYYQICSA-N 2 0 401.348 3.793 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCc4cccs4)c(OC)c3)C2)CC1 ZINC000513460245 1004976135 /nfs/dbraw/zinc/97/61/35/1004976135.db2.gz DEALXBITVFEPNU-FQEVSTJZSA-N 2 0 415.603 3.548 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511007911 1004977263 /nfs/dbraw/zinc/97/72/63/1004977263.db2.gz BQSAEYFZENVCAO-OFNKIYASSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000513467148 1004978913 /nfs/dbraw/zinc/97/89/13/1004978913.db2.gz QRTKMKRWTFYFLD-JOCHJYFZSA-N 2 0 421.614 3.813 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017823 1004981797 /nfs/dbraw/zinc/98/17/97/1004981797.db2.gz QZTNICFAAUHCAK-JOCHJYFZSA-N 2 0 412.622 3.729 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000502282571 1004992346 /nfs/dbraw/zinc/99/23/46/1004992346.db2.gz NYYMUONNNWVTNY-FQEVSTJZSA-N 2 0 411.512 3.896 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000513536109 1005010936 /nfs/dbraw/zinc/01/09/36/1005010936.db2.gz FEJFHKTVNCBLES-UHFFFAOYSA-N 2 0 415.626 3.867 20 0 HHADRP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513559747 1005023030 /nfs/dbraw/zinc/02/30/30/1005023030.db2.gz IMNHAVPSTIKJAJ-UPVQGACJSA-N 2 0 409.549 3.819 20 0 HHADRP C[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230634 1005083024 /nfs/dbraw/zinc/08/30/24/1005083024.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230231 1005083112 /nfs/dbraw/zinc/08/31/12/1005083112.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 2 0 412.622 3.945 20 0 HHADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513689332 1005083235 /nfs/dbraw/zinc/08/32/35/1005083235.db2.gz BNKAXWREKHJYFT-IXDOHACOSA-N 2 0 402.560 3.995 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250501 1005091279 /nfs/dbraw/zinc/09/12/79/1005091279.db2.gz NKQJUYCEBXQKRL-IFMALSPDSA-N 2 0 400.611 3.721 20 0 HHADRP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254134 1005093780 /nfs/dbraw/zinc/09/37/80/1005093780.db2.gz YHFHAUGTJIFTQE-URVUXULASA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254132 1005093959 /nfs/dbraw/zinc/09/39/59/1005093959.db2.gz YHFHAUGTJIFTQE-ONTIZHBOSA-N 2 0 400.611 3.849 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511254654 1005094029 /nfs/dbraw/zinc/09/40/29/1005094029.db2.gz RJSDYYYXOLDALQ-PMACEKPBSA-N 2 0 413.610 3.521 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264135 1005097013 /nfs/dbraw/zinc/09/70/13/1005097013.db2.gz DGWQXVXYWZYJJI-FKBYEOEOSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511285034 1005107319 /nfs/dbraw/zinc/10/73/19/1005107319.db2.gz FBVXNFUSWSHLHE-UWJYYQICSA-N 2 0 404.986 3.644 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CC[N@H+](C)CC1 ZINC000511291874 1005110725 /nfs/dbraw/zinc/11/07/25/1005110725.db2.gz WJNPJAUHEFZHFI-KRWDZBQOSA-N 2 0 404.986 3.502 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000513756462 1005111577 /nfs/dbraw/zinc/11/15/77/1005111577.db2.gz GFJNPSMWDDRAPA-DEOSSOPVSA-N 2 0 409.574 3.549 20 0 HHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304756 1005116662 /nfs/dbraw/zinc/11/66/62/1005116662.db2.gz GERZJJTZDKSUQR-NQIIRXRSSA-N 2 0 401.620 3.618 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502767540 1005207965 /nfs/dbraw/zinc/20/79/65/1005207965.db2.gz NWEUZUVLHZGPHK-HSZRJFAPSA-N 2 0 400.611 3.947 20 0 HHADRP CCC1(CNC(=O)NC2CC[NH+](C(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000513982318 1005212571 /nfs/dbraw/zinc/21/25/71/1005212571.db2.gz AWZGMUBBQBDFTJ-UHFFFAOYSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797249 1005221917 /nfs/dbraw/zinc/22/19/17/1005221917.db2.gz UNPSDIOWUAMYNL-JTHBVZDNSA-N 2 0 422.617 3.980 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019998 1005230934 /nfs/dbraw/zinc/23/09/34/1005230934.db2.gz KHUFPEWNTMJWOX-ZWKOTPCHSA-N 2 0 407.002 3.724 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889493 1005260870 /nfs/dbraw/zinc/26/08/70/1005260870.db2.gz XLQGQNXYHWLEGP-OFNKIYASSA-N 2 0 416.610 3.643 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000502891973 1005261920 /nfs/dbraw/zinc/26/19/20/1005261920.db2.gz IETZKZVXUPMREF-WOJBJXKFSA-N 2 0 404.599 3.644 20 0 HHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000502893592 1005262889 /nfs/dbraw/zinc/26/28/89/1005262889.db2.gz UKNSPJMARIEQEU-INIZCTEOSA-N 2 0 415.475 3.779 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269952 /nfs/dbraw/zinc/26/99/52/1005269952.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 2 0 400.611 3.879 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000514115259 1005272284 /nfs/dbraw/zinc/27/22/84/1005272284.db2.gz QOAREPWEBQEFPD-HSZRJFAPSA-N 2 0 415.626 3.590 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000514162453 1005294719 /nfs/dbraw/zinc/29/47/19/1005294719.db2.gz LQZLAKVOPXCQOC-LJQANCHMSA-N 2 0 414.516 3.872 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171452 1005297997 /nfs/dbraw/zinc/29/79/97/1005297997.db2.gz BQHKLKAFMBIXBR-DNQXCXABSA-N 2 0 406.574 3.706 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069566 1005336449 /nfs/dbraw/zinc/33/64/49/1005336449.db2.gz SCCOIYMGZKODHZ-HBMCJLEFSA-N 2 0 400.611 3.659 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503209955 1005369227 /nfs/dbraw/zinc/36/92/27/1005369227.db2.gz WIYFXJFURIUASV-VWLOTQADSA-N 2 0 420.601 3.646 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369567 /nfs/dbraw/zinc/36/95/67/1005369567.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 2 0 420.601 3.686 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503282598 1005383262 /nfs/dbraw/zinc/38/32/62/1005383262.db2.gz KAHIVVMZUVXVMQ-MSOLQXFVSA-N 2 0 400.394 3.829 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000503413548 1005412857 /nfs/dbraw/zinc/41/28/57/1005412857.db2.gz GNQJNJYWZCBFAA-KNQAVFIVSA-N 2 0 404.574 3.726 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000503466136 1005429131 /nfs/dbraw/zinc/42/91/31/1005429131.db2.gz RQVLQKDEBHPTAR-WOJBJXKFSA-N 2 0 400.611 3.696 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503473392 1005431328 /nfs/dbraw/zinc/43/13/28/1005431328.db2.gz NWQUAAQIIYLLCH-NOZRDPDXSA-N 2 0 420.601 3.687 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496489 1005437136 /nfs/dbraw/zinc/43/71/36/1005437136.db2.gz AELGUIYGNZLOBB-ILBGXUMGSA-N 2 0 422.617 3.716 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000503497723 1005437391 /nfs/dbraw/zinc/43/73/91/1005437391.db2.gz GYLICZLFSNDFIR-KNQAVFIVSA-N 2 0 404.574 3.726 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)C2)CC1 ZINC000503498476 1005437844 /nfs/dbraw/zinc/43/78/44/1005437844.db2.gz LYZZQMKPNIOQAB-SIKLNZKXSA-N 2 0 404.574 3.582 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000503637135 1005470490 /nfs/dbraw/zinc/47/04/90/1005470490.db2.gz QFTZSQVBJOQDBM-UHFFFAOYSA-N 2 0 420.648 3.634 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503737433 1005487877 /nfs/dbraw/zinc/48/78/77/1005487877.db2.gz IAQQDVYJONMWRP-UHFFFAOYSA-N 2 0 414.516 3.511 20 0 HHADRP C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000503937170 1005515453 /nfs/dbraw/zinc/51/54/53/1005515453.db2.gz LIMMAQNDLONMID-GBXCKJPGSA-N 2 0 405.542 3.881 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000504199134 1005571945 /nfs/dbraw/zinc/57/19/45/1005571945.db2.gz JXANHIHTPQMOBQ-DEOSSOPVSA-N 2 0 406.574 3.820 20 0 HHADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2s1 ZINC000504276280 1005587768 /nfs/dbraw/zinc/58/77/68/1005587768.db2.gz BESDGYYQQFZXFR-SFHVURJKSA-N 2 0 423.586 3.869 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000504296837 1005591725 /nfs/dbraw/zinc/59/17/25/1005591725.db2.gz VEWGWQILTYJHQC-GOTSBHOMSA-N 2 0 406.574 3.841 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)C1 ZINC000504398951 1005618707 /nfs/dbraw/zinc/61/87/07/1005618707.db2.gz KQIYNFHCRKNPLX-NRFANRHFSA-N 2 0 423.605 3.587 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531075510 1005978946 /nfs/dbraw/zinc/97/89/46/1005978946.db2.gz KWDUAWJJQDGOPZ-FQEVSTJZSA-N 2 0 404.942 3.705 20 0 HHADRP CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000531167432 1006025872 /nfs/dbraw/zinc/02/58/72/1006025872.db2.gz ZTUQTUUZUDYYKK-UHFFFAOYSA-N 2 0 423.601 3.934 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000514564964 1006038580 /nfs/dbraw/zinc/03/85/80/1006038580.db2.gz RFTGPVFJVNAKTI-FQEVSTJZSA-N 2 0 400.592 3.658 20 0 HHADRP Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000514635758 1006064121 /nfs/dbraw/zinc/06/41/21/1006064121.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 2 0 416.569 3.532 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795220 1006130033 /nfs/dbraw/zinc/13/00/33/1006130033.db2.gz ZNWFMWVZRCMDMQ-OXQOHEQNSA-N 2 0 404.352 3.723 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795221 1006130266 /nfs/dbraw/zinc/13/02/66/1006130266.db2.gz ZNWFMWVZRCMDMQ-UZLBHIALSA-N 2 0 404.352 3.723 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169590 /nfs/dbraw/zinc/16/95/90/1006169590.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 2 0 423.601 3.531 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395448 1006171373 /nfs/dbraw/zinc/17/13/73/1006171373.db2.gz KVXKYYIATSRBLA-REWPJTCUSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000534234607 1006237185 /nfs/dbraw/zinc/23/71/85/1006237185.db2.gz UCZAOHJCDBRSOC-UHFFFAOYSA-N 2 0 400.542 3.729 20 0 HHADRP CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1C1CC1 ZINC000534252032 1006260751 /nfs/dbraw/zinc/26/07/51/1006260751.db2.gz SBPNFMRMCNBBDN-HKUYNNGSSA-N 2 0 404.603 3.611 20 0 HHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000531684702 1006353232 /nfs/dbraw/zinc/35/32/32/1006353232.db2.gz PNSZSAXVARHLPC-OXQOHEQNSA-N 2 0 422.411 3.812 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000531719788 1006377762 /nfs/dbraw/zinc/37/77/62/1006377762.db2.gz PQMPQXDMWGCJLA-OXQOHEQNSA-N 2 0 415.965 3.897 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000515331771 1006402900 /nfs/dbraw/zinc/40/29/00/1006402900.db2.gz ADAJHWCWPDWASL-INIZCTEOSA-N 2 0 412.603 3.821 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000515331772 1006403043 /nfs/dbraw/zinc/40/30/43/1006403043.db2.gz ADAJHWCWPDWASL-MRXNPFEDSA-N 2 0 412.603 3.821 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000531785313 1006425871 /nfs/dbraw/zinc/42/58/71/1006425871.db2.gz ADEAPVGCNYWONV-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP COc1cccc([C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000531850965 1006472133 /nfs/dbraw/zinc/47/21/33/1006472133.db2.gz XSPBDLCKLMFQLE-RUZDIDTESA-N 2 0 410.606 3.618 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531860046 1006481057 /nfs/dbraw/zinc/48/10/57/1006481057.db2.gz JNIDBEMXGJSMIM-SFTDATJTSA-N 2 0 420.601 3.879 20 0 HHADRP Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c(C)c1 ZINC000531949860 1006539237 /nfs/dbraw/zinc/53/92/37/1006539237.db2.gz KJTOTJCRDZITSX-HXUWFJFHSA-N 2 0 417.619 3.693 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000531995295 1006566737 /nfs/dbraw/zinc/56/67/37/1006566737.db2.gz MTYUHVMYWXLRRN-LJQANCHMSA-N 2 0 404.558 3.988 20 0 HHADRP CC(C)C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)NCC[NH+](C)C ZINC000534645515 1006624944 /nfs/dbraw/zinc/62/49/44/1006624944.db2.gz ACGFIUUGMBTBLE-SFHVURJKSA-N 2 0 414.575 3.738 20 0 HHADRP CN(c1ccccc1CNc1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000532107905 1006641734 /nfs/dbraw/zinc/64/17/34/1006641734.db2.gz LDNQTLJNXSDASJ-UHFFFAOYSA-N 2 0 421.633 3.577 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756051 1006644576 /nfs/dbraw/zinc/64/45/76/1006644576.db2.gz GPJDDOLFIDPZMR-OALUTQOASA-N 2 0 414.594 3.698 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000515805087 1006685599 /nfs/dbraw/zinc/68/55/99/1006685599.db2.gz JIMWVLCDTLLZRF-QHCPKHFHSA-N 2 0 414.569 3.764 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720397 1006706703 /nfs/dbraw/zinc/70/67/03/1006706703.db2.gz ADVJBVANPOEKQQ-ZEQRLZLVSA-N 2 0 406.574 3.738 20 0 HHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(C)c1 ZINC000532188771 1006707256 /nfs/dbraw/zinc/70/72/56/1006707256.db2.gz XZVLAHKKFHQLGJ-PZJWPPBQSA-N 2 0 414.619 3.660 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OCC(F)(F)F)cc1 ZINC000532197300 1006713295 /nfs/dbraw/zinc/71/32/95/1006713295.db2.gz OBDJUMAJUAXSJP-MRXNPFEDSA-N 2 0 408.468 3.625 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000532223662 1006733211 /nfs/dbraw/zinc/73/32/11/1006733211.db2.gz RPWBRLRIIPEVMS-PGRDOPGGSA-N 2 0 422.013 3.671 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534794896 1006797583 /nfs/dbraw/zinc/79/75/83/1006797583.db2.gz MXGOHCKGNQZANQ-GOSISDBHSA-N 2 0 400.792 3.705 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000532358625 1006816730 /nfs/dbraw/zinc/81/67/30/1006816730.db2.gz MTPPRYNSNZRDFY-UHFFFAOYSA-N 2 0 403.574 3.735 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC000532358704 1006817477 /nfs/dbraw/zinc/81/74/77/1006817477.db2.gz VQNFBNCIHKOAOW-UHFFFAOYSA-N 2 0 421.564 3.874 20 0 HHADRP CN(c1ccccc1C[NH2+]CC1(N2CCSCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000532361628 1006820020 /nfs/dbraw/zinc/82/00/20/1006820020.db2.gz YJFHHTGXUATTSX-UHFFFAOYSA-N 2 0 416.679 3.668 20 0 HHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000538587416 1006855026 /nfs/dbraw/zinc/85/50/26/1006855026.db2.gz FJMVNGODLWFKHD-IBGZPJMESA-N 2 0 411.594 3.726 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000538603916 1006876817 /nfs/dbraw/zinc/87/68/17/1006876817.db2.gz LYPGXTFVHLWSJZ-UHFFFAOYSA-N 2 0 423.454 3.960 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000532452171 1006894388 /nfs/dbraw/zinc/89/43/88/1006894388.db2.gz YPUMBDUBNJECMK-JZFKGDSASA-N 2 0 400.485 3.621 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000516215022 1006951214 /nfs/dbraw/zinc/95/12/14/1006951214.db2.gz BTYSZFRNOMOMGW-QGZVFWFLSA-N 2 0 422.411 3.682 20 0 HHADRP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1OC ZINC000538724818 1007002131 /nfs/dbraw/zinc/00/21/31/1007002131.db2.gz DFTUXUZETMPZIX-UHFFFAOYSA-N 2 0 424.029 3.985 20 0 HHADRP CCOc1cccc(CNC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962502 1007010791 /nfs/dbraw/zinc/01/07/91/1007010791.db2.gz AIVLURXKMFTVQB-UHFFFAOYSA-N 2 0 421.585 3.690 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NCc1cc(F)cc(F)c1 ZINC000534965287 1007016413 /nfs/dbraw/zinc/01/64/13/1007016413.db2.gz PYFQPZLZYXPQBF-UHFFFAOYSA-N 2 0 413.512 3.569 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000538740378 1007023593 /nfs/dbraw/zinc/02/35/93/1007023593.db2.gz KIWUXPLDCWBIQA-UHFFFAOYSA-N 2 0 424.589 3.514 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000534977067 1007035360 /nfs/dbraw/zinc/03/53/60/1007035360.db2.gz UAXWJHWIQPIYHS-UHFFFAOYSA-N 2 0 400.450 3.719 20 0 HHADRP Cn1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C(C)(C)C)n1 ZINC000538756749 1007041617 /nfs/dbraw/zinc/04/16/17/1007041617.db2.gz WOMQTTINNLFZAM-UHFFFAOYSA-N 2 0 423.527 3.778 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@@H](C)O1 ZINC000538761872 1007045658 /nfs/dbraw/zinc/04/56/58/1007045658.db2.gz IEHPIEHDVDZIQO-WOJBJXKFSA-N 2 0 410.562 3.980 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538763714 1007048957 /nfs/dbraw/zinc/04/89/57/1007048957.db2.gz RSYNSBKJJDLZBP-QFIPXVFZSA-N 2 0 416.013 3.743 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516565760 1007159757 /nfs/dbraw/zinc/15/97/57/1007159757.db2.gz AWQNFYBNADUHLE-RDPSFJRHSA-N 2 0 400.611 3.503 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000532765141 1007170151 /nfs/dbraw/zinc/17/01/51/1007170151.db2.gz YQOINFIWAWHRQS-LEWJYISDSA-N 2 0 405.542 3.835 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538996443 1007291786 /nfs/dbraw/zinc/29/17/86/1007291786.db2.gz AGJOJNKTXPGWAK-UHFFFAOYSA-N 2 0 401.624 3.749 20 0 HHADRP c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967218 1007333773 /nfs/dbraw/zinc/33/37/73/1007333773.db2.gz NOCUCIYINSNBQT-UIOOFZCWSA-N 2 0 410.650 3.522 20 0 HHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042252 1007339495 /nfs/dbraw/zinc/33/94/95/1007339495.db2.gz WWVRGNZAWOHYLZ-WZONZLPQSA-N 2 0 415.603 3.563 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000539042714 1007340047 /nfs/dbraw/zinc/34/00/47/1007340047.db2.gz GYMXPAPWRQSUPM-DYXWJJEUSA-N 2 0 415.603 3.546 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000532985062 1007356632 /nfs/dbraw/zinc/35/66/32/1007356632.db2.gz AEEQOQVDHTWQMM-LJQANCHMSA-N 2 0 412.578 3.706 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000539072817 1007364007 /nfs/dbraw/zinc/36/40/07/1007364007.db2.gz UKPZFPOBMKUAIN-QYZOEREBSA-N 2 0 410.002 3.556 20 0 HHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073097 1007364056 /nfs/dbraw/zinc/36/40/56/1007364056.db2.gz HXKPTDGYBZWDGT-ZCNNSNEGSA-N 2 0 400.567 3.539 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000539074323 1007364749 /nfs/dbraw/zinc/36/47/49/1007364749.db2.gz ZXHHSPCEZSXTBM-XMMPIXPASA-N 2 0 421.585 3.860 20 0 HHADRP C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539087434 1007376257 /nfs/dbraw/zinc/37/62/57/1007376257.db2.gz SENCIMIVCGZUSC-HSQYWUDLSA-N 2 0 407.624 3.536 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)CC(C)C ZINC000539100365 1007389030 /nfs/dbraw/zinc/38/90/30/1007389030.db2.gz VGNCLNDPKWRMFQ-LJQANCHMSA-N 2 0 405.549 3.867 20 0 HHADRP CN(c1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000539117699 1007405772 /nfs/dbraw/zinc/40/57/72/1007405772.db2.gz OCNTZJKRCOANNS-UHFFFAOYSA-N 2 0 420.601 3.611 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397310 1007463055 /nfs/dbraw/zinc/46/30/55/1007463055.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539218037 1007508690 /nfs/dbraw/zinc/50/86/90/1007508690.db2.gz QEPFMKPRBWESNX-QGZVFWFLSA-N 2 0 404.002 3.828 20 0 HHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000539266264 1007561186 /nfs/dbraw/zinc/56/11/86/1007561186.db2.gz YWLBEGISFMXPRO-MIZPHKNDSA-N 2 0 409.574 3.904 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506444 1007562591 /nfs/dbraw/zinc/56/25/91/1007562591.db2.gz DHOANSKTNZOZRU-AUUYWEPGSA-N 2 0 414.819 3.953 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000533248573 1007567425 /nfs/dbraw/zinc/56/74/25/1007567425.db2.gz JBFRLQDSUBOAGD-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000533271355 1007586207 /nfs/dbraw/zinc/58/62/07/1007586207.db2.gz FPLJMWZHLYUNML-KRWDZBQOSA-N 2 0 402.608 3.695 20 0 HHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313805 1007612081 /nfs/dbraw/zinc/61/20/81/1007612081.db2.gz JIPQSVKKTCIEIL-SVFBPWRDSA-N 2 0 418.601 3.798 20 0 HHADRP C[N@H+](CCc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1)C1CC1 ZINC000539330960 1007631231 /nfs/dbraw/zinc/63/12/31/1007631231.db2.gz JJGLRFCCLCRTOR-UHFFFAOYSA-N 2 0 421.585 3.780 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1F ZINC000535675511 1007699003 /nfs/dbraw/zinc/69/90/03/1007699003.db2.gz KFVSFAVSBRCIIX-HXUWFJFHSA-N 2 0 406.933 3.643 20 0 HHADRP Cc1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(N2CCOCC2)c1 ZINC000539394211 1007699685 /nfs/dbraw/zinc/69/96/85/1007699685.db2.gz AITIOYQPYMAGOD-HSZRJFAPSA-N 2 0 421.585 3.909 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677578 1007703185 /nfs/dbraw/zinc/70/31/85/1007703185.db2.gz VLBQKLHKDFLQKA-AXRZQBEVSA-N 2 0 422.976 3.786 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000535687627 1007719921 /nfs/dbraw/zinc/71/99/21/1007719921.db2.gz CRPCTGHEVQBGBZ-UHFFFAOYSA-N 2 0 412.553 3.873 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535697531 1007733138 /nfs/dbraw/zinc/73/31/38/1007733138.db2.gz AUTRCQYKCCOTQS-DYESRHJHSA-N 2 0 422.976 3.742 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541723 1007758444 /nfs/dbraw/zinc/75/84/44/1007758444.db2.gz RVQXURNJAXGKGQ-GBXCKJPGSA-N 2 0 406.574 3.917 20 0 HHADRP C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000533496764 1007807592 /nfs/dbraw/zinc/80/75/92/1007807592.db2.gz ALJBEMRKOLYXTQ-OAQYLSRUSA-N 2 0 421.633 3.927 20 0 HHADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)oc21 ZINC000539496375 1007807587 /nfs/dbraw/zinc/80/75/87/1007807587.db2.gz HUTCUOPAZANEGF-DYESRHJHSA-N 2 0 421.541 3.990 20 0 HHADRP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000539546435 1007857814 /nfs/dbraw/zinc/85/78/14/1007857814.db2.gz BPMWKAYRTMPNJA-UHFFFAOYSA-N 2 0 402.542 3.959 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578671 1007882090 /nfs/dbraw/zinc/88/20/90/1007882090.db2.gz GVLCJEJTLNGUFM-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP CCOc1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000533607745 1007907556 /nfs/dbraw/zinc/90/75/56/1007907556.db2.gz HYMOCTXLXXVQAB-UHFFFAOYSA-N 2 0 424.467 3.785 20 0 HHADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728032 1007933710 /nfs/dbraw/zinc/93/37/10/1007933710.db2.gz FSCONJUKENJUFU-NOZRDPDXSA-N 2 0 421.585 3.861 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000539704496 1008023749 /nfs/dbraw/zinc/02/37/49/1008023749.db2.gz QNVFSUBJYPHSCD-UHFFFAOYSA-N 2 0 409.603 3.716 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884058 1008028764 /nfs/dbraw/zinc/02/87/64/1008028764.db2.gz XPEWMOYKTXBXTH-WOJBJXKFSA-N 2 0 406.640 3.941 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000517886691 1008030516 /nfs/dbraw/zinc/03/05/16/1008030516.db2.gz VIDBQZOEIZUZQB-OAQYLSRUSA-N 2 0 407.002 3.724 20 0 HHADRP COCCC[NH+]1CCC(NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000539874196 1008154244 /nfs/dbraw/zinc/15/42/44/1008154244.db2.gz SQJKZALIXOQAGA-UHFFFAOYSA-N 2 0 416.610 3.583 20 0 HHADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539951949 1008202904 /nfs/dbraw/zinc/20/29/04/1008202904.db2.gz YUVVYYJQLMIBMF-PMACEKPBSA-N 2 0 401.599 3.592 20 0 HHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539951950 1008202921 /nfs/dbraw/zinc/20/29/21/1008202921.db2.gz YUVVYYJQLMIBMF-WOJBJXKFSA-N 2 0 401.599 3.592 20 0 HHADRP COc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000539978223 1008218239 /nfs/dbraw/zinc/21/82/39/1008218239.db2.gz PQBFDCSXYQZASU-UHFFFAOYSA-N 2 0 410.949 3.938 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000518402429 1008289956 /nfs/dbraw/zinc/28/99/56/1008289956.db2.gz AHLYVVHASLTQBC-OALUTQOASA-N 2 0 404.599 3.642 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000518407499 1008292506 /nfs/dbraw/zinc/29/25/06/1008292506.db2.gz XZNAGUJLGQVTRD-NHCUHLMSSA-N 2 0 414.638 3.749 20 0 HHADRP COc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccc(OC)cc2)cc1 ZINC000540155222 1008314066 /nfs/dbraw/zinc/31/40/66/1008314066.db2.gz AVVJPDKYBIZMSR-GSDHBNRESA-N 2 0 424.585 3.955 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000540168575 1008319666 /nfs/dbraw/zinc/31/96/66/1008319666.db2.gz BVNBYNSWEFGFLB-OAQYLSRUSA-N 2 0 415.965 3.943 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@@H](C)C1 ZINC000540170158 1008320826 /nfs/dbraw/zinc/32/08/26/1008320826.db2.gz WKHRVFFDLVOOHE-RDPSFJRHSA-N 2 0 409.574 3.875 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000540171895 1008321558 /nfs/dbraw/zinc/32/15/58/1008321558.db2.gz GLINUQJUWBDNGF-BRWVUGGUSA-N 2 0 415.500 3.902 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)ccc1F ZINC000540175090 1008322777 /nfs/dbraw/zinc/32/27/77/1008322777.db2.gz FUXOBKFVROSDPP-AWEZNQCLSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175120 1008323032 /nfs/dbraw/zinc/32/30/32/1008323032.db2.gz HGYWVWXYLVSIRN-UZLBHIALSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)c(F)c1 ZINC000540175426 1008323143 /nfs/dbraw/zinc/32/31/43/1008323143.db2.gz FSZGOKNBZAHITM-AWEZNQCLSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518615969 1008366616 /nfs/dbraw/zinc/36/66/16/1008366616.db2.gz DVLXDICRJYXSIW-HDICACEKSA-N 2 0 407.002 3.867 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301485 1008372640 /nfs/dbraw/zinc/37/26/40/1008372640.db2.gz ZTIGUNRSIQFLEE-LADGPHEKSA-N 2 0 407.558 3.633 20 0 HHADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405627 1008419058 /nfs/dbraw/zinc/41/90/58/1008419058.db2.gz CSLIHPZCDXRICR-DHIUTWEWSA-N 2 0 403.517 3.621 20 0 HHADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405628 1008419110 /nfs/dbraw/zinc/41/91/10/1008419110.db2.gz CSLIHPZCDXRICR-GOTSBHOMSA-N 2 0 403.517 3.621 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000540407017 1008419970 /nfs/dbraw/zinc/41/99/70/1008419970.db2.gz DVTLSNQLOTVSBZ-RBUKOAKNSA-N 2 0 406.590 3.652 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000540408651 1008420750 /nfs/dbraw/zinc/42/07/50/1008420750.db2.gz UVQJIUDPZHKQNC-RTBURBONSA-N 2 0 412.553 3.954 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)OC)s2)CC1 ZINC000540411055 1008421585 /nfs/dbraw/zinc/42/15/85/1008421585.db2.gz GZLKZEQMJCHHTJ-OAHLLOKOSA-N 2 0 405.539 3.667 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1O2 ZINC000540468450 1008443089 /nfs/dbraw/zinc/44/30/89/1008443089.db2.gz QPNKEJKOMWNYKD-ZEQRLZLVSA-N 2 0 421.585 3.638 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H](NCC1([NH+]3CCCCC3)CCOCC1)c1ccccc1O2 ZINC000540494732 1008454745 /nfs/dbraw/zinc/45/47/45/1008454745.db2.gz JBWQAZOAOFDYFG-JOCHJYFZSA-N 2 0 413.606 3.599 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000518966773 1008489646 /nfs/dbraw/zinc/48/96/46/1008489646.db2.gz PLJZSHULEPAQPJ-KBRMVUAJSA-N 2 0 412.603 3.846 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000545448722 1008561970 /nfs/dbraw/zinc/56/19/70/1008561970.db2.gz XTKTXWRUXPVVAK-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545457221 1008568492 /nfs/dbraw/zinc/56/84/92/1008568492.db2.gz APSQIJYZVXJNMW-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000519171515 1008575625 /nfs/dbraw/zinc/57/56/25/1008575625.db2.gz OREXBDUPDQMSFT-NQIIRXRSSA-N 2 0 404.986 3.747 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000519171514 1008575955 /nfs/dbraw/zinc/57/59/55/1008575955.db2.gz OREXBDUPDQMSFT-GHTZIAJQSA-N 2 0 404.986 3.747 20 0 HHADRP C[N@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCSC1 ZINC000549028381 1008597679 /nfs/dbraw/zinc/59/76/79/1008597679.db2.gz FJEXCQLDTRHHMY-HNHRGLGWSA-N 2 0 422.038 3.807 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000519322426 1008730453 /nfs/dbraw/zinc/73/04/53/1008730453.db2.gz VVQFAXFSMFRPJU-HXUWFJFHSA-N 2 0 419.013 3.868 20 0 HHADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164576 1008735892 /nfs/dbraw/zinc/73/58/92/1008735892.db2.gz ICQLCCQGZPKXQF-HYBUGGRVSA-N 2 0 407.558 3.798 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549207511 1008778577 /nfs/dbraw/zinc/77/85/77/1008778577.db2.gz PGDIULAHGJGFOE-JOCHJYFZSA-N 2 0 400.611 3.803 20 0 HHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229414 1008798956 /nfs/dbraw/zinc/79/89/56/1008798956.db2.gz UPLXFXJNHXGNSM-DQEYMECFSA-N 2 0 422.569 3.915 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000519509281 1008882366 /nfs/dbraw/zinc/88/23/66/1008882366.db2.gz PKBBVBKLGJYODT-UHFFFAOYSA-N 2 0 418.969 3.876 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000519656493 1008943519 /nfs/dbraw/zinc/94/35/19/1008943519.db2.gz WPWGWQRSYULWKP-HXUWFJFHSA-N 2 0 400.954 3.679 20 0 HHADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000519928026 1009083855 /nfs/dbraw/zinc/08/38/55/1009083855.db2.gz LCZLKCKJJLOWEW-UHFFFAOYSA-N 2 0 416.610 3.615 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000543643174 1009246994 /nfs/dbraw/zinc/24/69/94/1009246994.db2.gz ZAEJAZSNEHXYGI-VQTJNVASSA-N 2 0 400.611 3.933 20 0 HHADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000520207357 1009341631 /nfs/dbraw/zinc/34/16/31/1009341631.db2.gz SVMMOLLZRKXCLG-RUZDIDTESA-N 2 0 403.574 3.649 20 0 HHADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773373 1009342204 /nfs/dbraw/zinc/34/22/04/1009342204.db2.gz IKQFHTXRKWAIQV-OFNKIYASSA-N 2 0 409.530 3.977 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccncc3)cc2)CC1 ZINC000520215680 1009346556 /nfs/dbraw/zinc/34/65/56/1009346556.db2.gz JIVJIPUKGYJPKZ-UHFFFAOYSA-N 2 0 417.553 3.907 20 0 HHADRP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000549718874 1009347903 /nfs/dbraw/zinc/34/79/03/1009347903.db2.gz FRFPJISJVGHJOP-GPXOXTDOSA-N 2 0 403.570 3.603 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)cc2)C1 ZINC000549806589 1009414335 /nfs/dbraw/zinc/41/43/35/1009414335.db2.gz ZHUJVRBJZSCMLI-BGYRXZFFSA-N 2 0 400.588 3.728 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002975 1009603826 /nfs/dbraw/zinc/60/38/26/1009603826.db2.gz SRRVFVKPBYCZDB-YJBOKZPZSA-N 2 0 423.623 3.969 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000544039219 1009641902 /nfs/dbraw/zinc/64/19/02/1009641902.db2.gz CJEGRRDUWQLFPU-AWEZNQCLSA-N 2 0 409.596 3.580 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2conc2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000550097479 1009699870 /nfs/dbraw/zinc/69/98/70/1009699870.db2.gz QSRPPIFQJIVTRY-RUZDIDTESA-N 2 0 404.558 3.734 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708479 1009775644 /nfs/dbraw/zinc/77/56/44/1009775644.db2.gz WGWHGIHZGVANCY-KNQAVFIVSA-N 2 0 414.594 3.538 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000544360990 1009988458 /nfs/dbraw/zinc/98/84/58/1009988458.db2.gz YDFTZYDKAUVSAK-HSZRJFAPSA-N 2 0 412.553 3.526 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000550938248 1010268184 /nfs/dbraw/zinc/26/81/84/1010268184.db2.gz TUGKDMVHCPBJMP-WNMGUVTHSA-N 3 0 407.602 3.786 20 0 HHADRP CN1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005623 1010312273 /nfs/dbraw/zinc/31/22/73/1010312273.db2.gz MRXWJOLSVUTPPF-IZZNHLLZSA-N 2 0 406.618 3.619 20 0 HHADRP Cc1c(Br)cc(C[NH2+]CCCC[NH+]2CCOCC2)cc1Br ZINC000551222160 1010447075 /nfs/dbraw/zinc/44/70/75/1010447075.db2.gz UCXYGONZGGCVRG-UHFFFAOYSA-N 2 0 420.189 3.722 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521573690 1010472915 /nfs/dbraw/zinc/47/29/15/1010472915.db2.gz DLQBNVRTVZKTRO-NRFANRHFSA-N 2 0 415.528 3.767 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686014 1010549784 /nfs/dbraw/zinc/54/97/84/1010549784.db2.gz VGTSZPSLMOSVNJ-AUSIDOKSSA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000521686366 1010551211 /nfs/dbraw/zinc/55/12/11/1010551211.db2.gz YVMBZXAMGWXZQD-NRFANRHFSA-N 2 0 420.960 3.855 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@@H](C)O1 ZINC000548410209 1010617957 /nfs/dbraw/zinc/61/79/57/1010617957.db2.gz UAGHBWFRYKKEGS-NHCUHLMSSA-N 2 0 421.585 3.822 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000521819279 1010639631 /nfs/dbraw/zinc/63/96/31/1010639631.db2.gz XLRXLTQKXHNZNE-UHFFFAOYSA-N 2 0 407.562 3.556 20 0 HHADRP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483855 1010642590 /nfs/dbraw/zinc/64/25/90/1010642590.db2.gz JCMXDJYKHRRANC-PKOBYXMFSA-N 2 0 406.496 4.403 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(I)c2)[C@H](C)C1 ZINC000551537452 1010645545 /nfs/dbraw/zinc/64/55/45/1010645545.db2.gz JGJXLFCOZLUTBK-CRAIPNDOSA-N 2 0 416.347 3.518 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848923 1010657864 /nfs/dbraw/zinc/65/78/64/1010657864.db2.gz BAYUBJBPBUHAIA-VAMGGRTRSA-N 2 0 405.546 3.727 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875436 1010678963 /nfs/dbraw/zinc/67/89/63/1010678963.db2.gz BOOCRRFIEKHXHC-FPOVZHCZSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000548721038 1010713845 /nfs/dbraw/zinc/71/38/45/1010713845.db2.gz UFMYUFJAONRKAK-HXUWFJFHSA-N 2 0 401.595 3.657 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000521973355 1010745134 /nfs/dbraw/zinc/74/51/34/1010745134.db2.gz XQOHQTRBWVPVQX-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)cc2cccnc21 ZINC000522129587 1010826111 /nfs/dbraw/zinc/82/61/11/1010826111.db2.gz SJVDJRPTBIIDGT-UHFFFAOYSA-N 2 0 424.936 3.617 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000522173809 1010846914 /nfs/dbraw/zinc/84/69/14/1010846914.db2.gz DXGWKDQZSUJHCO-JOCHJYFZSA-N 2 0 416.610 3.786 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202716 /nfs/dbraw/zinc/20/27/16/1011202716.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 2 0 424.511 3.624 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000540594850 1011250539 /nfs/dbraw/zinc/25/05/39/1011250539.db2.gz GQULEZZFFCVURQ-RLLQIKCJSA-N 2 0 411.512 3.750 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264560 /nfs/dbraw/zinc/26/45/60/1011264560.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 2 0 420.601 3.842 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536230703 1011379511 /nfs/dbraw/zinc/37/95/11/1011379511.db2.gz CUWURGLMIKVDJW-OALUTQOASA-N 2 0 414.516 3.738 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132270 1011601383 /nfs/dbraw/zinc/60/13/83/1011601383.db2.gz WTFOIISUHXWVBB-DEOSSOPVSA-N 2 0 408.590 3.639 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188839 1011673499 /nfs/dbraw/zinc/67/34/99/1011673499.db2.gz GPWXKISPHUVADR-CEXWTWQISA-N 2 0 406.640 3.626 20 0 HHADRP CN(Cc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523313679 1011789215 /nfs/dbraw/zinc/78/92/15/1011789215.db2.gz KQMCHHMSTXGKNV-UHFFFAOYSA-N 2 0 417.557 3.589 20 0 HHADRP CC(C)CN(CCc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523313948 1011789525 /nfs/dbraw/zinc/78/95/25/1011789525.db2.gz RGDODRNUNLNCRL-UHFFFAOYSA-N 2 0 423.605 3.504 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1CC1CCCCC1 ZINC000523313894 1011789645 /nfs/dbraw/zinc/78/96/45/1011789645.db2.gz JGSGDBIRXSPLIC-HSZRJFAPSA-N 2 0 413.610 3.738 20 0 HHADRP CCOCc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000536663811 1011815184 /nfs/dbraw/zinc/81/51/84/1011815184.db2.gz WSIKFPZBJXSFDR-WOJBJXKFSA-N 2 0 404.595 3.943 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc([C@H]4CCCO4)s3)CC2)CC1 ZINC000536666318 1011817957 /nfs/dbraw/zinc/81/79/57/1011817957.db2.gz MXIDQXWKFXBEDX-OAQYLSRUSA-N 2 0 406.640 3.623 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341093 1011818577 /nfs/dbraw/zinc/81/85/77/1011818577.db2.gz YULBSYQJSVFZHA-PZJWPPBQSA-N 2 0 400.592 3.554 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341094 1011818686 /nfs/dbraw/zinc/81/86/86/1011818686.db2.gz YULBSYQJSVFZHA-TZIWHRDSSA-N 2 0 400.592 3.554 20 0 HHADRP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000541194130 1011865334 /nfs/dbraw/zinc/86/53/34/1011865334.db2.gz NVXXEGMQXDOMKL-DVECYGJZSA-N 2 0 424.589 3.647 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000541210565 1011880853 /nfs/dbraw/zinc/88/08/53/1011880853.db2.gz SAIBZDGOIYYNKV-UHFFFAOYSA-N 2 0 415.965 3.675 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000541218987 1011892603 /nfs/dbraw/zinc/89/26/03/1011892603.db2.gz XOIVKNPYTLIMHM-INIZCTEOSA-N 2 0 400.567 3.605 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523524389 1012052077 /nfs/dbraw/zinc/05/20/77/1012052077.db2.gz KQWPCTOMECGMRA-XMMPIXPASA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000536855632 1012087969 /nfs/dbraw/zinc/08/79/69/1012087969.db2.gz BVTJJIZOOKJDNX-INIZCTEOSA-N 2 0 405.489 3.739 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000536855739 1012088563 /nfs/dbraw/zinc/08/85/63/1012088563.db2.gz CBYFVRBJZJXBOH-QYZOEREBSA-N 2 0 410.002 3.556 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1OC(F)F ZINC000536857748 1012090809 /nfs/dbraw/zinc/09/08/09/1012090809.db2.gz LZBAJUMFWPRWSF-KRWDZBQOSA-N 2 0 417.500 3.964 20 0 HHADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1)c1ccccc1 ZINC000541377830 1012094563 /nfs/dbraw/zinc/09/45/63/1012094563.db2.gz TUECVNFBDXRZAN-XMMPIXPASA-N 2 0 417.557 3.850 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000536862388 1012096857 /nfs/dbraw/zinc/09/68/57/1012096857.db2.gz HYGPZGLYZRLDTE-OAHLLOKOSA-N 2 0 404.352 3.591 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000536867055 1012104507 /nfs/dbraw/zinc/10/45/07/1012104507.db2.gz BPSWHGMSGAWXFC-APWZRJJASA-N 2 0 406.958 3.659 20 0 HHADRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388572 1012111138 /nfs/dbraw/zinc/11/11/38/1012111138.db2.gz IYJIXXWCHDOOLV-QHCPKHFHSA-N 2 0 402.542 3.530 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000523600898 1012166462 /nfs/dbraw/zinc/16/64/62/1012166462.db2.gz KQTMLTRXGYAAKX-PMACEKPBSA-N 2 0 400.611 3.837 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000523666453 1012261377 /nfs/dbraw/zinc/26/13/77/1012261377.db2.gz RYDKPVRFQOAKBT-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552255856 1012265869 /nfs/dbraw/zinc/26/58/69/1012265869.db2.gz XNJDYMKQOJNCCU-HJOGWXRNSA-N 2 0 423.580 3.510 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000537000570 1012302498 /nfs/dbraw/zinc/30/24/98/1012302498.db2.gz JJZYTUVRWUWPTP-GOSISDBHSA-N 2 0 401.576 3.561 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000523706456 1012311531 /nfs/dbraw/zinc/31/15/31/1012311531.db2.gz NQWCTGGJQPJBNG-IBGZPJMESA-N 2 0 422.573 3.772 20 0 HHADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000541542390 1012327570 /nfs/dbraw/zinc/32/75/70/1012327570.db2.gz UWFCTFMKOHGVBC-QPPBQGQZSA-N 2 0 413.631 3.932 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000523881495 1012582652 /nfs/dbraw/zinc/58/26/52/1012582652.db2.gz XMRXOKIKVMWJEN-GOSISDBHSA-N 2 0 406.640 3.770 20 0 HHADRP CN(C)C1(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)Cc2ccccc2C1 ZINC000537189699 1012601927 /nfs/dbraw/zinc/60/19/27/1012601927.db2.gz ANEYNFXPUMKVHB-QHCPKHFHSA-N 2 0 405.586 3.663 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000537192920 1012606706 /nfs/dbraw/zinc/60/67/06/1012606706.db2.gz GBJNSFVMFOZDMB-XMMPIXPASA-N 3 0 423.601 3.747 20 0 HHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295625 1012753219 /nfs/dbraw/zinc/75/32/19/1012753219.db2.gz NEYFVWLXEJKDLA-RJGXRXQPSA-N 2 0 413.606 3.601 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000524065022 1012825067 /nfs/dbraw/zinc/82/50/67/1012825067.db2.gz FUVVZBHSIATKSD-UHFFFAOYSA-N 2 0 421.463 3.701 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397174 1012880442 /nfs/dbraw/zinc/88/04/42/1012880442.db2.gz RMMJHWSQNKLQDJ-BWKNWUBXSA-N 2 0 407.606 3.542 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900007 1012901234 /nfs/dbraw/zinc/90/12/34/1012901234.db2.gz YBKVRDISSNJHFG-VAMGGRTRSA-N 2 0 422.635 3.943 20 0 HHADRP CC(C)[NH+]1CCC(Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000542019294 1012910392 /nfs/dbraw/zinc/91/03/92/1012910392.db2.gz SWYJCSMAJXSJNZ-UHFFFAOYSA-N 2 0 407.606 3.731 20 0 HHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000537444770 1012937731 /nfs/dbraw/zinc/93/77/31/1012937731.db2.gz LJGOPFIVCQYEBW-APWZRJJASA-N 2 0 402.608 3.862 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000524190018 1012993693 /nfs/dbraw/zinc/99/36/93/1012993693.db2.gz KYCAHVMCRSHGNJ-YLJYHZDGSA-N 2 0 400.592 3.876 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000729681582 1071798330 /nfs/dbraw/zinc/79/83/30/1071798330.db2.gz GKSARTPDZMVOTI-UHFFFAOYSA-N 2 0 418.029 3.814 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000729683241 1071799124 /nfs/dbraw/zinc/79/91/24/1071799124.db2.gz ITXNVUITMAJOKU-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP CC(C)(C)OC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168374168 1072114356 /nfs/dbraw/zinc/11/43/56/1072114356.db2.gz WZXUKBUTYYNJNP-NRFANRHFSA-N 2 0 413.553 3.829 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000611963298 1072176675 /nfs/dbraw/zinc/17/66/75/1072176675.db2.gz KZZTUTXDCRCKTQ-PZJWPPBQSA-N 2 0 423.557 3.692 20 0 HHADRP Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2N(CC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168377436 1072509627 /nfs/dbraw/zinc/50/96/27/1072509627.db2.gz HIBDJUAQSZSZNI-UHFFFAOYSA-N 2 0 422.621 3.526 20 0 HHADRP CC(C)[NH2+]CCCC[C@H](N)c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001212145410 1072548325 /nfs/dbraw/zinc/54/83/25/1072548325.db2.gz SWQBLLYNINJVSK-LBPRGKRZSA-N 2 0 403.271 3.945 20 0 HHADRP CC[C@@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000571604972 1072678293 /nfs/dbraw/zinc/67/82/93/1072678293.db2.gz RQVFAYUICZUEKD-VWLOTQADSA-N 2 0 405.586 3.946 20 0 HHADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001142586888 1072880808 /nfs/dbraw/zinc/88/08/08/1072880808.db2.gz RCHGEAABLQGHLU-UHFFFAOYSA-N 2 0 423.601 3.667 20 0 HHADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000588217683 1072917476 /nfs/dbraw/zinc/91/74/76/1072917476.db2.gz DXEBWNOMYXYXJL-IBGZPJMESA-N 2 0 424.564 3.664 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000588709509 1073156094 /nfs/dbraw/zinc/15/60/94/1073156094.db2.gz CBUFWLLZRMZQKJ-LGVFNWMJSA-N 2 0 413.606 3.561 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186284 1073248561 /nfs/dbraw/zinc/24/85/61/1073248561.db2.gz QYIZFSGIWNGPDL-ACRUOGEOSA-N 2 0 400.954 3.687 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186285 1073248652 /nfs/dbraw/zinc/24/86/52/1073248652.db2.gz QYIZFSGIWNGPDL-HKBOAZHASA-N 2 0 400.954 3.687 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000555187918 1073249085 /nfs/dbraw/zinc/24/90/85/1073249085.db2.gz ABBYGTXIGHLLGF-NRFANRHFSA-N 2 0 402.970 3.546 20 0 HHADRP O=C(NC1CC1)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000590073400 1073511791 /nfs/dbraw/zinc/51/17/91/1073511791.db2.gz QBXDYZQMEZIKHJ-NRFANRHFSA-N 2 0 401.551 3.709 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060555 1073534706 /nfs/dbraw/zinc/53/47/06/1073534706.db2.gz NHALWWDFCFPLRQ-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555612481 1073674259 /nfs/dbraw/zinc/67/42/59/1073674259.db2.gz OJPYOBPRUOHDIZ-HSZRJFAPSA-N 2 0 407.558 3.663 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000590352010 1073756474 /nfs/dbraw/zinc/75/64/74/1073756474.db2.gz YRIIPEHAJOFSOV-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H](C(F)(F)F)C1 ZINC001168366490 1074076175 /nfs/dbraw/zinc/07/61/75/1074076175.db2.gz UMEXCLSURGYCKV-DLBZAZTESA-N 2 0 405.505 3.638 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1cccnc1 ZINC001168366717 1074091418 /nfs/dbraw/zinc/09/14/18/1074091418.db2.gz YZRPBVJNFOHNQA-IRLDBZIGSA-N 2 0 414.594 3.844 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1cccnc1 ZINC001168366722 1074091446 /nfs/dbraw/zinc/09/14/46/1074091446.db2.gz YZRPBVJNFOHNQA-UNMCSNQZSA-N 2 0 414.594 3.844 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000591092152 1074107594 /nfs/dbraw/zinc/10/75/94/1074107594.db2.gz HMXSHCSLIGSPKC-OFNKIYASSA-N 2 0 409.574 3.973 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000591100111 1074115885 /nfs/dbraw/zinc/11/58/85/1074115885.db2.gz LNTQWJJCZPMSAL-NHCUHLMSSA-N 2 0 401.595 3.790 20 0 HHADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000760889085 1074522831 /nfs/dbraw/zinc/52/28/31/1074522831.db2.gz YCZHVHCDJYOFGV-YADHBBJMSA-N 2 0 414.981 3.988 20 0 HHADRP C[NH+]1CCC(CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592521835 1074780675 /nfs/dbraw/zinc/78/06/75/1074780675.db2.gz OXJWMJWFGVOOEL-UHFFFAOYSA-N 2 0 407.002 3.583 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000593809746 1075227636 /nfs/dbraw/zinc/22/76/36/1075227636.db2.gz NQVCJKZTQBJNLD-JWQCQUIFSA-N 2 0 414.553 3.667 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594221516 1075274086 /nfs/dbraw/zinc/27/40/86/1075274086.db2.gz GWIFMJGTNXEYAZ-HXUWFJFHSA-N 2 0 402.583 3.889 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594276575 1075276794 /nfs/dbraw/zinc/27/67/94/1075276794.db2.gz VAISHJWHVTTZQL-RXVVDRJESA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000575165390 1075491850 /nfs/dbraw/zinc/49/18/50/1075491850.db2.gz JEKXWPYPKNHREL-QUCCMNQESA-N 2 0 406.640 3.893 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000575165388 1075492185 /nfs/dbraw/zinc/49/21/85/1075492185.db2.gz JEKXWPYPKNHREL-AZUAARDMSA-N 2 0 406.640 3.893 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000575165389 1075492224 /nfs/dbraw/zinc/49/22/24/1075492224.db2.gz JEKXWPYPKNHREL-ICSRJNTNSA-N 2 0 406.640 3.893 20 0 HHADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000601323321 1075599406 /nfs/dbraw/zinc/59/94/06/1075599406.db2.gz HCAFJQAQTGJFPK-XMMPIXPASA-N 2 0 414.638 3.893 20 0 HHADRP COc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OCc1ccccc1 ZINC000602277276 1075725594 /nfs/dbraw/zinc/72/55/94/1075725594.db2.gz ITOZZXICNNJDCC-JOCHJYFZSA-N 2 0 409.574 3.532 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164621617 719111763 /nfs/dbraw/zinc/11/17/63/719111763.db2.gz AIGUNJJEMLFYBB-LADGPHEKSA-N 2 0 406.574 3.561 20 0 HHADRP Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2cc(F)ccc2[nH+]1 ZINC000301659388 971017862 /nfs/dbraw/zinc/01/78/62/971017862.db2.gz IULRLBWOYGHWFB-IBGZPJMESA-N 2 0 406.505 3.992 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303108490 971508131 /nfs/dbraw/zinc/50/81/31/971508131.db2.gz JUJMRWNNUAXHES-NRFANRHFSA-N 2 0 411.512 3.820 20 0 HHADRP CC1(C)CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000303238565 971574544 /nfs/dbraw/zinc/57/45/44/971574544.db2.gz HUQNNSMAPFRYLK-OAQYLSRUSA-N 2 0 410.562 3.723 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303293124 971605274 /nfs/dbraw/zinc/60/52/74/971605274.db2.gz MXYUBCOYWJLGRL-PMACEKPBSA-N 2 0 404.624 3.620 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000303301312 971612195 /nfs/dbraw/zinc/61/21/95/971612195.db2.gz YYABGMWPRANJHB-UHFFFAOYSA-N 2 0 410.562 3.646 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303479927 971779796 /nfs/dbraw/zinc/77/97/96/971779796.db2.gz PQJDXVHELGOGKN-ZSJMHYJMSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303512740 971812592 /nfs/dbraw/zinc/81/25/92/971812592.db2.gz OVLFAFLDSXVKIL-NRFANRHFSA-N 2 0 420.601 3.505 20 0 HHADRP CCc1cccc2c(C3CC[NH+](CC(=O)NC4CC[NH+](C(C)C)CC4)CC3)c[nH]c21 ZINC000303585572 971877829 /nfs/dbraw/zinc/87/78/29/971877829.db2.gz QJKOJOOYZOYWPJ-UHFFFAOYSA-N 2 0 410.606 3.899 20 0 HHADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCc2ccccc2C1 ZINC000303588175 971880693 /nfs/dbraw/zinc/88/06/93/971880693.db2.gz RCQULTZANLUMHN-HSZRJFAPSA-N 2 0 409.599 3.663 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000537660068 1013220904 /nfs/dbraw/zinc/22/09/04/1013220904.db2.gz XGDXKXVMTOQTCV-ROUUACIJSA-N 2 0 400.542 3.927 20 0 HHADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCCC(C)C ZINC000537661956 1013223134 /nfs/dbraw/zinc/22/31/34/1013223134.db2.gz XXYGGYWUZGWGQE-QFIPXVFZSA-N 2 0 403.611 3.720 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)c2)CC1 ZINC000537671236 1013231995 /nfs/dbraw/zinc/23/19/95/1013231995.db2.gz TYBOYZBFBBMPDC-HSZRJFAPSA-N 2 0 416.610 3.536 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)cc2)CC1 ZINC000015550623 962790793 /nfs/dbraw/zinc/79/07/93/962790793.db2.gz XHUVMSMELXFRSG-XMMPIXPASA-N 2 0 412.553 3.893 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)CC1 ZINC000048783017 964059892 /nfs/dbraw/zinc/05/98/92/964059892.db2.gz CJMIVOVTEXNYII-UHFFFAOYSA-N 2 0 416.569 3.698 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532838 1013477360 /nfs/dbraw/zinc/47/73/60/1013477360.db2.gz SVROODGZMHGVKV-TXPKVOOTSA-N 2 0 400.485 3.688 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532821 1013477318 /nfs/dbraw/zinc/47/73/18/1013477318.db2.gz SVROODGZMHGVKV-FCEWJHQRSA-N 2 0 400.485 3.688 20 0 HHADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccc1S(C)(=O)=O ZINC000537942640 1013526495 /nfs/dbraw/zinc/52/64/95/1013526495.db2.gz JWNBJCZKMTUTRP-KKXNLOMOSA-N 2 0 408.608 3.792 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnc2ccsc2c1 ZINC000537968352 1013545918 /nfs/dbraw/zinc/54/59/18/1013545918.db2.gz CGVYNKSWTJDKAX-QGZVFWFLSA-N 2 0 408.571 3.973 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Br)c1 ZINC000537968397 1013545984 /nfs/dbraw/zinc/54/59/84/1013545984.db2.gz DQWNWRFKJDBKDG-AWEZNQCLSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053749781 965264034 /nfs/dbraw/zinc/26/40/34/965264034.db2.gz KQWAEZXJAJBJOB-YKSBVNFPSA-N 2 0 406.574 3.786 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000537990365 1013565295 /nfs/dbraw/zinc/56/52/95/1013565295.db2.gz KNIXYSKGJNQMBB-NRFANRHFSA-N 2 0 404.562 3.520 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537987868 1013562429 /nfs/dbraw/zinc/56/24/29/1013562429.db2.gz TXWFIXVJQJFTES-FQEVSTJZSA-N 2 0 405.542 3.688 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000054039938 965367575 /nfs/dbraw/zinc/36/75/75/965367575.db2.gz XGOKUWFLKQJCAD-FQEVSTJZSA-N 2 0 400.592 3.836 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000054382353 965493540 /nfs/dbraw/zinc/49/35/40/965493540.db2.gz DMMZZUFBWIKJAO-RTBURBONSA-N 2 0 415.626 3.625 20 0 HHADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000542667668 1013593379 /nfs/dbraw/zinc/59/33/79/1013593379.db2.gz UYZOGAFNKBIZCR-SFHVURJKSA-N 2 0 406.617 3.721 20 0 HHADRP CC(C)C[NH+]1CCC(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000058518085 965766782 /nfs/dbraw/zinc/76/67/82/965766782.db2.gz YTHAHTRKXWNLAW-UHFFFAOYSA-N 2 0 414.594 3.808 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606944 /nfs/dbraw/zinc/60/69/44/1013606944.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 2 0 414.638 3.900 20 0 HHADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060335599 966095523 /nfs/dbraw/zinc/09/55/23/966095523.db2.gz VXHGAWBVIFUHLK-VWLOTQADSA-N 2 0 420.601 3.817 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056341376 966309255 /nfs/dbraw/zinc/30/92/55/966309255.db2.gz RSSWKJQULQWTMU-UHFFFAOYSA-N 2 0 412.553 3.564 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061070968 966364659 /nfs/dbraw/zinc/36/46/59/966364659.db2.gz AIBPLBJVIABBPN-UGKGYDQZSA-N 2 0 410.562 3.553 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+]1CCCCC1 ZINC000056932231 966518889 /nfs/dbraw/zinc/51/88/89/966518889.db2.gz QZUJCJXRAYIDRF-JOCHJYFZSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056950144 966527361 /nfs/dbraw/zinc/52/73/61/966527361.db2.gz LFFHVCRHLUDHOL-QHCPKHFHSA-N 2 0 412.553 3.701 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000061791818 966555874 /nfs/dbraw/zinc/55/58/74/966555874.db2.gz MSJXRMYDWBXZTK-LJQANCHMSA-N 2 0 404.624 3.521 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000061868927 966568645 /nfs/dbraw/zinc/56/86/45/966568645.db2.gz KATWBKGKPNKVER-UHFFFAOYSA-N 2 0 418.651 3.688 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941606 966583752 /nfs/dbraw/zinc/58/37/52/966583752.db2.gz NKHUYYFPWGXNLS-QFIPXVFZSA-N 2 0 414.619 3.879 20 0 HHADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754942 1013661861 /nfs/dbraw/zinc/66/18/61/1013661861.db2.gz IXIYLYACTNMSOA-PKOBYXMFSA-N 2 0 414.516 3.681 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000538099796 1013668738 /nfs/dbraw/zinc/66/87/38/1013668738.db2.gz BPMDTCLTRXPEIW-SFHVURJKSA-N 2 0 401.576 3.561 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062484623 966688180 /nfs/dbraw/zinc/68/81/80/966688180.db2.gz CBMZZYZLVNXIFR-UHFFFAOYSA-N 2 0 414.569 3.939 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100477 1013669734 /nfs/dbraw/zinc/66/97/34/1013669734.db2.gz FQFYYDCYQOXPQB-ISKFKSNPSA-N 2 0 409.574 3.879 20 0 HHADRP S=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145386 966761066 /nfs/dbraw/zinc/76/10/66/966761066.db2.gz BLJZUKRJSAFFLP-UHFFFAOYSA-N 2 0 422.642 3.911 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000538115329 1013677003 /nfs/dbraw/zinc/67/70/03/1013677003.db2.gz QZGFYYBIHCEHRQ-HXUWFJFHSA-N 2 0 416.363 3.518 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000063407442 966846715 /nfs/dbraw/zinc/84/67/15/966846715.db2.gz PCIAICNNSBKBDS-UHFFFAOYSA-N 2 0 416.610 3.519 20 0 HHADRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(C(C)(C)C)cc2)CC1 ZINC000063441369 966858580 /nfs/dbraw/zinc/85/85/80/966858580.db2.gz MARDFUQCSRJRIT-UHFFFAOYSA-O 2 0 410.607 3.894 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000064237192 967100910 /nfs/dbraw/zinc/10/09/10/967100910.db2.gz PTBSMQJSCMRACN-LEWJYISDSA-N 2 0 400.592 3.796 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064244477 967104437 /nfs/dbraw/zinc/10/44/37/967104437.db2.gz FKFPREQKOYUPOI-UHFFFAOYSA-N 2 0 406.640 3.724 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000064251247 967105496 /nfs/dbraw/zinc/10/54/96/967105496.db2.gz AXJRJJBJQWBWOE-LJQANCHMSA-N 2 0 406.621 3.624 20 0 HHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847357 1013706329 /nfs/dbraw/zinc/70/63/29/1013706329.db2.gz QBNGGGUCTDDRQI-LEWJYISDSA-N 2 0 408.464 3.749 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844329 1013704164 /nfs/dbraw/zinc/70/41/64/1013704164.db2.gz RIBXIMPOQWCISN-SIKLNZKXSA-N 2 0 411.521 3.527 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000064643947 967256461 /nfs/dbraw/zinc/25/64/61/967256461.db2.gz DIYDTABDAILENZ-OAQYLSRUSA-N 2 0 414.619 3.781 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850559 1013709457 /nfs/dbraw/zinc/70/94/57/1013709457.db2.gz YXNMFGGSOLTCPQ-UTKZUKDTSA-N 2 0 419.338 3.932 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000065057498 967359350 /nfs/dbraw/zinc/35/93/50/967359350.db2.gz LUQLKOYGPDRKEI-OAQYLSRUSA-N 2 0 420.601 3.918 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000045777430 967550593 /nfs/dbraw/zinc/55/05/93/967550593.db2.gz OOVSYGPTTOCTHV-UHFFFAOYSA-N 2 0 412.622 3.936 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976256 967613989 /nfs/dbraw/zinc/61/39/89/967613989.db2.gz IXWMNEPHKNVPJP-PMACEKPBSA-N 2 0 401.599 3.521 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000046123481 967668492 /nfs/dbraw/zinc/66/84/92/967668492.db2.gz LQMOTLKQYYBPGX-OYRHEFFESA-N 2 0 412.622 3.934 20 0 HHADRP Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000553999046 1013745486 /nfs/dbraw/zinc/74/54/86/1013745486.db2.gz BCLVTXRKZHLLCK-UHFFFAOYSA-N 2 0 417.500 3.712 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000047884138 968351249 /nfs/dbraw/zinc/35/12/49/968351249.db2.gz LTKKDDRAYQVKKH-BGYRXZFFSA-N 2 0 400.611 3.837 20 0 HHADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099607 1013797008 /nfs/dbraw/zinc/79/70/08/1013797008.db2.gz NUDFMWZZZACRDT-INIZCTEOSA-N 2 0 419.791 3.648 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220332 968489942 /nfs/dbraw/zinc/48/99/42/968489942.db2.gz ARQDOZRCBXHLTH-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000554111714 1013802697 /nfs/dbraw/zinc/80/26/97/1013802697.db2.gz AZRNLKVPADGQGX-RDPSFJRHSA-N 2 0 423.605 3.950 20 0 HHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538274564 1013813991 /nfs/dbraw/zinc/81/39/91/1013813991.db2.gz BSDCKMPUQDDACK-QHCPKHFHSA-N 3 0 409.574 3.705 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000072001819 968925482 /nfs/dbraw/zinc/92/54/82/968925482.db2.gz GQXWUOLUJHCFSK-JOCHJYFZSA-N 2 0 416.516 3.531 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000072046760 968957395 /nfs/dbraw/zinc/95/73/95/968957395.db2.gz SRTGHICHVMGTLM-VWLOTQADSA-N 2 0 421.585 3.688 20 0 HHADRP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000097549222 969158048 /nfs/dbraw/zinc/15/80/48/969158048.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 2 0 423.576 3.719 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109015969 969449837 /nfs/dbraw/zinc/44/98/37/969449837.db2.gz NNKBPNGIGDJTSU-LADGPHEKSA-N 2 0 409.549 3.991 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccco1 ZINC000109900345 969589823 /nfs/dbraw/zinc/58/98/23/969589823.db2.gz OZFCUNQITBZVJJ-QFIPXVFZSA-N 2 0 412.578 3.623 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717327 /nfs/dbraw/zinc/71/73/27/969717327.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 2 0 409.574 3.605 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000139690571 970042286 /nfs/dbraw/zinc/04/22/86/970042286.db2.gz GFIXYUDWHWLIJW-HXUWFJFHSA-N 2 0 416.591 3.689 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000228927460 970128398 /nfs/dbraw/zinc/12/83/98/970128398.db2.gz CLMIRBYJPHHPGG-TXTKFYIRSA-N 2 0 418.622 3.545 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000236567964 970142233 /nfs/dbraw/zinc/14/22/33/970142233.db2.gz IUBXKHHVACKOBR-UHFFFAOYSA-N 2 0 416.363 3.565 20 0 HHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000236648813 970150789 /nfs/dbraw/zinc/15/07/89/970150789.db2.gz HCUYVYAKBAWXEZ-UHFFFAOYSA-N 2 0 419.573 3.577 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000236699014 970157771 /nfs/dbraw/zinc/15/77/71/970157771.db2.gz HBKAIPFULZXGBP-FSSWDIPSSA-N 2 0 424.674 3.806 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)CC1 ZINC000236721047 970162318 /nfs/dbraw/zinc/16/23/18/970162318.db2.gz IRCGCAGQXMWWBM-UHFFFAOYSA-N 2 0 405.586 3.856 20 0 HHADRP CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236841376 970179602 /nfs/dbraw/zinc/17/96/02/970179602.db2.gz YSZCPMPUVGXSLN-UHFFFAOYSA-N 2 0 418.029 3.885 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000236943987 970192005 /nfs/dbraw/zinc/19/20/05/970192005.db2.gz GLARTKBIJPRHGZ-UHFFFAOYSA-N 2 0 410.393 3.605 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000236976929 970197754 /nfs/dbraw/zinc/19/77/54/970197754.db2.gz WVMRJMQNWSOLGX-LJQANCHMSA-N 2 0 415.553 3.529 20 0 HHADRP Cc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000237164250 970233312 /nfs/dbraw/zinc/23/33/12/970233312.db2.gz ZLKXQEWSNUYWIL-UHFFFAOYSA-N 2 0 410.606 3.641 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237168302 970234595 /nfs/dbraw/zinc/23/45/95/970234595.db2.gz UUONALKEMAXWEK-UHFFFAOYSA-N 2 0 423.424 3.688 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237172105 970234932 /nfs/dbraw/zinc/23/49/32/970234932.db2.gz GIWZPWFQPLIHQW-UHFFFAOYSA-N 2 0 410.393 3.605 20 0 HHADRP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)s2)cc1 ZINC000237178105 970236766 /nfs/dbraw/zinc/23/67/66/970236766.db2.gz ONNIABBFGWLCGY-UHFFFAOYSA-N 2 0 408.571 3.700 20 0 HHADRP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237256399 970249520 /nfs/dbraw/zinc/24/95/20/970249520.db2.gz ZEGORRQVILNCBH-QFIPXVFZSA-N 2 0 417.553 3.836 20 0 HHADRP COc1ccccc1-c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000237340271 970266576 /nfs/dbraw/zinc/26/65/76/970266576.db2.gz HHVLDDMVXJIUBK-UHFFFAOYSA-N 2 0 417.553 3.943 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cc2)c1 ZINC000237357070 970269880 /nfs/dbraw/zinc/26/98/80/970269880.db2.gz YVCBUARGGXWZFE-UHFFFAOYSA-N 2 0 413.562 3.612 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000237664661 970334208 /nfs/dbraw/zinc/33/42/08/970334208.db2.gz OBHVRBFVROOVNR-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000149016620 970379086 /nfs/dbraw/zinc/37/90/86/970379086.db2.gz AQFDKOWJMMYXPU-AZUAARDMSA-N 2 0 416.591 3.689 20 0 HHADRP O=C(COc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)N1CCCC1 ZINC000238001732 970415014 /nfs/dbraw/zinc/41/50/14/970415014.db2.gz VOEOGUGJURHEST-UHFFFAOYSA-N 2 0 421.585 3.964 20 0 HHADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000248165912 970517718 /nfs/dbraw/zinc/51/77/18/970517718.db2.gz OHPBTOIDUBEGHT-YOEKFXIASA-N 2 0 415.622 3.854 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000250822028 970540135 /nfs/dbraw/zinc/54/01/35/970540135.db2.gz TVXWIIZQHMUYKK-DQEYMECFSA-N 2 0 405.586 3.579 20 0 HHADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725786 972619384 /nfs/dbraw/zinc/61/93/84/972619384.db2.gz NPCMUGMQGUTCNW-FCEUIQTBSA-N 2 0 417.594 3.513 20 0 HHADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c1O ZINC000311061613 972625914 /nfs/dbraw/zinc/62/59/14/972625914.db2.gz XDSUEYKALPACPT-INIZCTEOSA-N 2 0 405.336 3.775 20 0 HHADRP COc1ccc(Br)cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397582134 972871717 /nfs/dbraw/zinc/87/17/17/972871717.db2.gz FSRUVRFEVGHZEC-UHFFFAOYSA-N 2 0 419.363 3.574 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000409455711 972901178 /nfs/dbraw/zinc/90/11/78/972901178.db2.gz YOOYEFRLTBHZLZ-OFNKIYASSA-N 2 0 409.574 3.973 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410341332 973925426 /nfs/dbraw/zinc/92/54/26/973925426.db2.gz VSNGNCSBFQAVMF-FQEVSTJZSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425938147 974047815 /nfs/dbraw/zinc/04/78/15/974047815.db2.gz PCOBQLNRXZBPEF-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993081 974105905 /nfs/dbraw/zinc/10/59/05/974105905.db2.gz AIHAADAYDBLMDC-MSOLQXFVSA-N 2 0 406.537 3.557 20 0 HHADRP COC(=O)C1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000426061784 974185226 /nfs/dbraw/zinc/18/52/26/974185226.db2.gz VTEPPUPTMUCJCX-RVEPMOMFSA-N 2 0 402.579 3.517 20 0 HHADRP C[NH+](C)CCN(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000426128475 974250991 /nfs/dbraw/zinc/25/09/91/974250991.db2.gz NPUHBGRMGXONOC-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000426155176 974270277 /nfs/dbraw/zinc/27/02/77/974270277.db2.gz YXFJSICNFKTWKK-UHFFFAOYSA-N 2 0 410.562 3.935 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426769400 974645844 /nfs/dbraw/zinc/64/58/44/974645844.db2.gz INOZKHQPWPOAFB-BGYRXZFFSA-N 2 0 412.578 3.881 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426769401 974645991 /nfs/dbraw/zinc/64/59/91/974645991.db2.gz INOZKHQPWPOAFB-PMACEKPBSA-N 2 0 412.578 3.881 20 0 HHADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000426770260 974647143 /nfs/dbraw/zinc/64/71/43/974647143.db2.gz QJWHINWLVPEPCO-NHCUHLMSSA-N 2 0 415.622 3.784 20 0 HHADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426789518 974660726 /nfs/dbraw/zinc/66/07/26/974660726.db2.gz VMXZNZHGYQSZIO-SFYKDHMMSA-N 2 0 417.594 3.624 20 0 HHADRP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000426795561 974666163 /nfs/dbraw/zinc/66/61/63/974666163.db2.gz XYLSJIMAARJIQT-FNAHDJPLSA-N 2 0 415.622 3.506 20 0 HHADRP CC[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000426796545 974666892 /nfs/dbraw/zinc/66/68/92/974666892.db2.gz BDRDKVOKVVOFJI-FQEVSTJZSA-N 2 0 424.427 3.992 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846664 975319201 /nfs/dbraw/zinc/31/92/01/975319201.db2.gz ANKNMWLWKUMMON-AZUAARDMSA-N 2 0 405.464 3.834 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428328243 975635596 /nfs/dbraw/zinc/63/55/96/975635596.db2.gz XUDFIKBIRDRBPK-PMACEKPBSA-N 2 0 412.622 3.838 20 0 HHADRP Cc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000428369681 975689833 /nfs/dbraw/zinc/68/98/33/975689833.db2.gz JVVNUABJAMWDHE-UHFFFAOYSA-N 2 0 423.548 3.801 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429331313 976596607 /nfs/dbraw/zinc/59/66/07/976596607.db2.gz VBRKSODGYSQTIV-HXUWFJFHSA-N 2 0 421.541 3.515 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@H](C)C1 ZINC000429457590 976730867 /nfs/dbraw/zinc/73/08/67/976730867.db2.gz UZFGGXDZLRDIOZ-OYYPCOLYSA-N 2 0 406.586 3.626 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501191 976757486 /nfs/dbraw/zinc/75/74/86/976757486.db2.gz HPDLNLBBPBVNTG-HSZRJFAPSA-N 2 0 412.622 3.729 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074524 /nfs/dbraw/zinc/07/45/24/977074524.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 0 409.574 3.544 20 0 HHADRP CC(C)c1cccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430908659 977874940 /nfs/dbraw/zinc/87/49/40/977874940.db2.gz KKSUIBMUDYOLFF-UHFFFAOYSA-N 2 0 414.638 3.877 20 0 HHADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430910129 977877173 /nfs/dbraw/zinc/87/71/73/977877173.db2.gz RSFRNPJVKCFHMJ-IBGZPJMESA-N 2 0 418.601 3.589 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000431367134 978241829 /nfs/dbraw/zinc/24/18/29/978241829.db2.gz AUSFICKYCRKLSC-OAQYLSRUSA-N 2 0 420.667 3.759 20 0 HHADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431377805 978251229 /nfs/dbraw/zinc/25/12/29/978251229.db2.gz QIUNBIIBPUIZJX-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000431618530 978388805 /nfs/dbraw/zinc/38/88/05/978388805.db2.gz GCGNKQLINRPPCM-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000431648365 978407771 /nfs/dbraw/zinc/40/77/71/978407771.db2.gz JMHOSTLDMUUDBH-XMMPIXPASA-N 2 0 414.638 3.908 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431672886 978427121 /nfs/dbraw/zinc/42/71/21/978427121.db2.gz JLLAAEMJMFZAGT-LEOXJPRUSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431675381 978428514 /nfs/dbraw/zinc/42/85/14/978428514.db2.gz IEJDTADNPOITAK-AGILITTLSA-N 2 0 408.590 3.512 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431689630 978437395 /nfs/dbraw/zinc/43/73/95/978437395.db2.gz YYCFLGJWZFNOES-ZJSXRUAMSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431689428 978437454 /nfs/dbraw/zinc/43/74/54/978437454.db2.gz YYCFLGJWZFNOES-URXFXBBRSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704398 978447547 /nfs/dbraw/zinc/44/75/47/978447547.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCO1 ZINC000432345415 978769193 /nfs/dbraw/zinc/76/91/93/978769193.db2.gz HQHIIUZGNWSGJM-FQEVSTJZSA-N 2 0 405.546 3.525 20 0 HHADRP CN(c1ccccc1C[NH2+]CC1(CO)CC(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000433182867 979125334 /nfs/dbraw/zinc/12/53/34/979125334.db2.gz PDAYRVRRIRMPDB-UHFFFAOYSA-N 2 0 407.602 3.863 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239691 979170865 /nfs/dbraw/zinc/17/08/65/979170865.db2.gz IHAIAAAADDDVPO-IGKNDFSCSA-N 2 0 403.533 3.759 20 0 HHADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433270535 979204923 /nfs/dbraw/zinc/20/49/23/979204923.db2.gz KXINQXLDZFRVQG-LJQANCHMSA-N 2 0 408.384 3.608 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000433395618 979273997 /nfs/dbraw/zinc/27/39/97/979273997.db2.gz AUYKDJDPPUAQGX-XKCSPQBFSA-N 2 0 421.601 3.696 20 0 HHADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000434657349 980323846 /nfs/dbraw/zinc/32/38/46/980323846.db2.gz QLCKMFYPVMALLA-UHFFFAOYSA-N 2 0 423.557 3.852 20 0 HHADRP CCn1nccc1C1CC[NH+](C/C=C\C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434743964 980375288 /nfs/dbraw/zinc/37/52/88/980375288.db2.gz GDGGULXXWAQXBC-WAYWQWQTSA-N 2 0 410.610 3.735 20 0 HHADRP CCn1nccc1C1CC[NH+](CC[C@H](C)[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434791285 980400432 /nfs/dbraw/zinc/40/04/32/980400432.db2.gz CBEBTZUOGYWTFJ-FQEVSTJZSA-N 2 0 412.626 3.957 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000436369014 981330193 /nfs/dbraw/zinc/33/01/93/981330193.db2.gz ULUHRMYWILSOSV-GUDVDZBRSA-N 2 0 400.567 3.701 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000436369016 981330329 /nfs/dbraw/zinc/33/03/29/981330329.db2.gz ULUHRMYWILSOSV-OTWHNJEPSA-N 2 0 400.567 3.701 20 0 HHADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)n2)ccc1O ZINC000436742526 981541483 /nfs/dbraw/zinc/54/14/83/981541483.db2.gz WMRJOFJTIYPCGY-OTWHNJEPSA-N 2 0 414.550 3.626 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208983 981623109 /nfs/dbraw/zinc/62/31/09/981623109.db2.gz MTAWTQIHVSFXRC-LADGPHEKSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211650 981625322 /nfs/dbraw/zinc/62/53/22/981625322.db2.gz HTNARSARNMKQHO-PMACEKPBSA-N 2 0 406.640 3.627 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043806 981714388 /nfs/dbraw/zinc/71/43/88/981714388.db2.gz WCSJKJWLPYMDCF-RPBOFIJWSA-N 2 0 405.586 3.879 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448372775 981731680 /nfs/dbraw/zinc/73/16/80/981731680.db2.gz HJKLAKOZFNWZGG-SIKLNZKXSA-N 2 0 414.594 3.888 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466223 981802347 /nfs/dbraw/zinc/80/23/47/981802347.db2.gz LRIOBSGGHHHGJM-XWGVYQGASA-N 2 0 410.606 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854187 /nfs/dbraw/zinc/85/41/87/981854187.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 2 0 414.638 3.831 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000460143492 981915264 /nfs/dbraw/zinc/91/52/64/981915264.db2.gz OUFAOHZLEGOQGG-XPWALMASSA-N 2 0 424.589 3.826 20 0 HHADRP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000437489024 982116596 /nfs/dbraw/zinc/11/65/96/982116596.db2.gz FTDQKQVVQVOSIT-NRFANRHFSA-N 2 0 423.626 3.972 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000460379589 982157797 /nfs/dbraw/zinc/15/77/97/982157797.db2.gz ISPMPEIKBIUHQK-DEOSSOPVSA-N 2 0 404.558 3.766 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CCCC2)CC1 ZINC000437700050 982304792 /nfs/dbraw/zinc/30/47/92/982304792.db2.gz MJOYWKMLCUWYBO-OAQYLSRUSA-N 2 0 420.642 3.506 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729013 982322143 /nfs/dbraw/zinc/32/21/43/982322143.db2.gz GAPIBSAZHGOMHV-UXHICEINSA-N 2 0 402.583 3.745 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000438101589 982588777 /nfs/dbraw/zinc/58/87/77/982588777.db2.gz UEWUPWQKZXMFIE-UHFFFAOYSA-N 2 0 404.624 3.664 20 0 HHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000438185805 982639094 /nfs/dbraw/zinc/63/90/94/982639094.db2.gz FEUIVFPTYBCZJR-CWDLOFLHSA-N 2 0 405.586 3.984 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000438824069 983097398 /nfs/dbraw/zinc/09/73/98/983097398.db2.gz BEXCUMYLOOATKT-GCBFDWCNSA-N 2 0 421.629 3.902 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000438824142 983097470 /nfs/dbraw/zinc/09/74/70/983097470.db2.gz BEXCUMYLOOATKT-LDUIBRKMSA-N 2 0 421.629 3.902 20 0 HHADRP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461446673 983111325 /nfs/dbraw/zinc/11/13/25/983111325.db2.gz LGWDIEQKFINQDK-IFMALSPDSA-N 2 0 423.523 3.775 20 0 HHADRP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461451812 983117545 /nfs/dbraw/zinc/11/75/45/983117545.db2.gz TVJLIYYADXNOPH-RPWUZVMVSA-N 2 0 400.526 3.526 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC(C)C ZINC000438857669 983123683 /nfs/dbraw/zinc/12/36/83/983123683.db2.gz AFOZCAWDSFXLHL-UGKGYDQZSA-N 2 0 403.615 3.663 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861612 983127417 /nfs/dbraw/zinc/12/74/17/983127417.db2.gz JGIOWGYDCUYPCV-AUSIDOKSSA-N 2 0 409.578 3.518 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000438955631 983176855 /nfs/dbraw/zinc/17/68/55/983176855.db2.gz CVYCYHJKRDBESI-FQEVSTJZSA-N 2 0 421.589 3.702 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000439239885 983326069 /nfs/dbraw/zinc/32/60/69/983326069.db2.gz RUAIBKUUFOGCFL-RTWAWAEBSA-N 2 0 404.986 3.573 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000439308424 983356558 /nfs/dbraw/zinc/35/65/58/983356558.db2.gz VJOQCKBMQANRIN-RTWAWAEBSA-N 2 0 419.013 3.820 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420583 983402161 /nfs/dbraw/zinc/40/21/61/983402161.db2.gz HNARWPANCAKNSY-DENIHFKCSA-N 2 0 414.619 3.732 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000440170400 983668270 /nfs/dbraw/zinc/66/82/70/983668270.db2.gz BKULYKZQMHZGRE-FQEVSTJZSA-N 2 0 413.610 3.515 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185196 983674397 /nfs/dbraw/zinc/67/43/97/983674397.db2.gz JLOVRXCEPLEBFF-YKSBVNFPSA-N 2 0 421.589 3.523 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249384 984137961 /nfs/dbraw/zinc/13/79/61/984137961.db2.gz YKXCWRHJEARMQR-ZTFGCOKTSA-N 2 0 400.350 3.506 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000441375859 984217235 /nfs/dbraw/zinc/21/72/35/984217235.db2.gz JICWVWKHVMSXFU-VQIMIIECSA-N 2 0 424.511 3.548 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630219 984364326 /nfs/dbraw/zinc/36/43/26/984364326.db2.gz XULSZRPVAFZLKK-KTIWRFAQSA-N 2 0 408.586 3.895 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000442014673 984594777 /nfs/dbraw/zinc/59/47/77/984594777.db2.gz SZCLTDBIDAWPKF-FQEVSTJZSA-N 2 0 400.592 3.607 20 0 HHADRP CC[C@H](C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)[NH+](CC)CC ZINC000461680249 984698277 /nfs/dbraw/zinc/69/82/77/984698277.db2.gz FFCAOYXYFBCVRC-HSZRJFAPSA-N 2 0 423.605 3.505 20 0 HHADRP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000442247483 984769348 /nfs/dbraw/zinc/76/93/48/984769348.db2.gz DNRDMXKWDHDFJJ-FLLPFDRLSA-N 2 0 400.611 3.974 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000462060911 985034168 /nfs/dbraw/zinc/03/41/68/985034168.db2.gz PSZHKDXNUXQJTF-UHFFFAOYSA-N 2 0 422.617 3.665 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719548 985183697 /nfs/dbraw/zinc/18/36/97/985183697.db2.gz QGRNNDFCAAXFTC-QFIPXVFZSA-N 2 0 402.586 3.823 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719547 985183911 /nfs/dbraw/zinc/18/39/11/985183911.db2.gz QGRNNDFCAAXFTC-JOCHJYFZSA-N 2 0 402.586 3.823 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)s2)cc1 ZINC000442868759 985252222 /nfs/dbraw/zinc/25/22/22/985252222.db2.gz CVPBJKBTOWWGHS-INIZCTEOSA-N 2 0 402.608 3.804 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874710 985254424 /nfs/dbraw/zinc/25/44/24/985254424.db2.gz NNUXQVOIJSBYLZ-KDOFPFPSSA-N 2 0 412.441 3.848 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236498 985456878 /nfs/dbraw/zinc/45/68/78/985456878.db2.gz GFLGBGVPZOUBJX-YJBOKZPZSA-N 2 0 414.516 3.555 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735470 985680881 /nfs/dbraw/zinc/68/08/81/985680881.db2.gz BHMHBBOYUPRUMK-DHIUTWEWSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462749557 985691222 /nfs/dbraw/zinc/69/12/22/985691222.db2.gz JQWDMCUBJGIPTQ-DNQXCXABSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cn(C)nc3C(F)F)cc2)C[C@H]1C ZINC000462781916 985717574 /nfs/dbraw/zinc/71/75/74/985717574.db2.gz WJXJXHOHNVXGPY-IAGOWNOFSA-N 2 0 406.521 3.657 20 0 HHADRP C[C@@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000462801727 985734109 /nfs/dbraw/zinc/73/41/09/985734109.db2.gz INTSJSAIWHPJME-URXFXBBRSA-N 3 0 404.618 3.604 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801254 985734346 /nfs/dbraw/zinc/73/43/46/985734346.db2.gz BLSAKQRDHYMQOE-RJGXRXQPSA-N 2 0 419.585 3.604 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2ccc(F)cc2)CC1 ZINC000462806495 985738214 /nfs/dbraw/zinc/73/82/14/985738214.db2.gz QGMKGRKQNHWSOT-FGZHOGPDSA-N 2 0 410.599 3.936 20 0 HHADRP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000443597080 985772993 /nfs/dbraw/zinc/77/29/93/985772993.db2.gz YYLYNJXNBRCRAF-LJQANCHMSA-N 2 0 419.585 3.769 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635656 985818604 /nfs/dbraw/zinc/81/86/04/985818604.db2.gz ZJGGCQCPSHUCFK-WMZHIEFXSA-N 2 0 400.611 3.933 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000443697096 985909830 /nfs/dbraw/zinc/90/98/30/985909830.db2.gz ICSJZHRJHWHMQI-INIZCTEOSA-N 2 0 416.532 3.755 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966283 985912108 /nfs/dbraw/zinc/91/21/08/985912108.db2.gz NIANAZASCHCMLM-FZDIXFNVSA-N 2 0 411.384 3.734 20 0 HHADRP CC(CC(=O)Nc1ccc(C[NH+](C)C)cc1)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000443914703 986115525 /nfs/dbraw/zinc/11/55/25/986115525.db2.gz UBXLUFMVELCHKJ-UHFFFAOYSA-N 2 0 410.562 3.803 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000468450775 986145855 /nfs/dbraw/zinc/14/58/55/986145855.db2.gz PYGJGYDDALSNED-FGZHOGPDSA-N 2 0 420.601 3.816 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463618814 986594896 /nfs/dbraw/zinc/59/48/96/986594896.db2.gz QAXJJNSGFYMQBW-LJQANCHMSA-N 2 0 412.553 3.739 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000469051680 986761759 /nfs/dbraw/zinc/76/17/59/986761759.db2.gz UMSKLEAYAFIWMI-QFIPXVFZSA-N 2 0 412.622 3.557 20 0 HHADRP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604134 986790974 /nfs/dbraw/zinc/79/09/74/986790974.db2.gz ZWZROUKWMIXLAX-FTJBHMTQSA-N 2 0 417.597 3.948 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444685324 986864647 /nfs/dbraw/zinc/86/46/47/986864647.db2.gz NVNFLSPVNRQPGX-NRFANRHFSA-N 2 0 405.586 3.819 20 0 HHADRP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000444797582 986952543 /nfs/dbraw/zinc/95/25/43/986952543.db2.gz DCKHRDMMJYKJLN-IBGZPJMESA-N 2 0 416.610 3.760 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000444960165 987095467 /nfs/dbraw/zinc/09/54/67/987095467.db2.gz UOSXHRFYQFSURZ-UHFFFAOYSA-N 2 0 406.574 3.541 20 0 HHADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469779092 987427195 /nfs/dbraw/zinc/42/71/95/987427195.db2.gz HBHNGYLZYAPFIG-GFMPLVLUSA-N 2 0 412.574 3.571 20 0 HHADRP Cc1ccccc1C[C@H](C)NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469787782 987432994 /nfs/dbraw/zinc/43/29/94/987432994.db2.gz RERHLOUZDJHFRP-VSKRKVRLSA-N 2 0 407.602 3.788 20 0 HHADRP C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103212 988005132 /nfs/dbraw/zinc/00/51/32/988005132.db2.gz FHJBNGFZVWONSO-OAQYLSRUSA-N 2 0 409.574 3.549 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283017 988239622 /nfs/dbraw/zinc/23/96/22/988239622.db2.gz LXIOYHOOCLMIMA-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291957 988250947 /nfs/dbraw/zinc/25/09/47/988250947.db2.gz VOEOVHHNHWHYBT-RBUKOAKNSA-N 2 0 412.500 3.578 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470680470 988704801 /nfs/dbraw/zinc/70/48/01/988704801.db2.gz DYDDKSRJLLAAAB-XMMPIXPASA-N 2 0 423.626 3.972 20 0 HHADRP CCC1(CC)C[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580137 988758580 /nfs/dbraw/zinc/75/85/80/988758580.db2.gz FUKISDMJUMMCHA-LJQANCHMSA-N 2 0 403.636 3.763 20 0 HHADRP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470731538 988763327 /nfs/dbraw/zinc/76/33/27/988763327.db2.gz FQOFEPLUKWGKBH-DHIUTWEWSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743595 988782156 /nfs/dbraw/zinc/78/21/56/988782156.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 2 0 400.611 3.947 20 0 HHADRP CN(C(=O)NCCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470750309 988791562 /nfs/dbraw/zinc/79/15/62/988791562.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 2 0 408.590 3.815 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000470892428 988965151 /nfs/dbraw/zinc/96/51/51/988965151.db2.gz MGNWBPPEQNHUJN-JOCHJYFZSA-N 2 0 412.622 3.936 20 0 HHADRP CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)CC1CCN(c2ccccn2)CC1 ZINC000464805134 989034844 /nfs/dbraw/zinc/03/48/44/989034844.db2.gz LEIHGEPAVAWBAA-UHFFFAOYSA-N 2 0 410.566 3.570 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000464945939 989238385 /nfs/dbraw/zinc/23/83/85/989238385.db2.gz VRFGXVWPYOPBAY-HSZRJFAPSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000464956217 989254214 /nfs/dbraw/zinc/25/42/14/989254214.db2.gz WWGGVCZTZNYDQT-OFNKIYASSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019129 989339341 /nfs/dbraw/zinc/33/93/41/989339341.db2.gz ZPIZKAUSYBVHGQ-ILBGXUMGSA-N 2 0 412.622 3.662 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019132 989339690 /nfs/dbraw/zinc/33/96/90/989339690.db2.gz ZPIZKAUSYBVHGQ-ZCYQVOJMSA-N 2 0 412.622 3.662 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231014 989375882 /nfs/dbraw/zinc/37/58/82/989375882.db2.gz BVFOHYRQUQZKBX-SUMWQHHRSA-N 2 0 400.336 3.579 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474772 989671206 /nfs/dbraw/zinc/67/12/06/989671206.db2.gz GZXFBGCGFQZDPG-DSNGMDLFSA-N 2 0 418.585 3.597 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509102 989707450 /nfs/dbraw/zinc/70/74/50/989707450.db2.gz ZBFKXVUNPNFPNA-LEWJYISDSA-N 2 0 412.603 3.706 20 0 HHADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000465435220 989780402 /nfs/dbraw/zinc/78/04/02/989780402.db2.gz BNFANZBVEDGYFE-JOCHJYFZSA-N 2 0 420.601 3.957 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000471588528 989792293 /nfs/dbraw/zinc/79/22/93/989792293.db2.gz CGQDMBYPMJQLHT-QHCPKHFHSA-N 2 0 420.601 3.781 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000471602202 989806194 /nfs/dbraw/zinc/80/61/94/989806194.db2.gz NKXMNBYXHUTHLX-LEWJYISDSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471605402 989809177 /nfs/dbraw/zinc/80/91/77/989809177.db2.gz LVUIYAPLUZJSGR-LPHOPBHVSA-N 2 0 402.583 3.942 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609465 989814108 /nfs/dbraw/zinc/81/41/08/989814108.db2.gz JFUMJSZGDXVIIV-IVMQYODDSA-N 2 0 418.548 3.603 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465523680 989877268 /nfs/dbraw/zinc/87/72/68/989877268.db2.gz LGHIIRGVSMOSBH-FPOVZHCZSA-N 2 0 400.592 3.514 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524803 989880812 /nfs/dbraw/zinc/88/08/12/989880812.db2.gz DGKPYSQZSGIPED-ILBGXUMGSA-N 2 0 420.601 3.987 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465530047 989889507 /nfs/dbraw/zinc/88/95/07/989889507.db2.gz YITVVNSSZFLXNV-AWWSKVOZSA-N 2 0 400.611 3.789 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579941 989950668 /nfs/dbraw/zinc/95/06/68/989950668.db2.gz PRIWCIRJDAAZGJ-REWPJTCUSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465588037 989964561 /nfs/dbraw/zinc/96/45/61/989964561.db2.gz DEVRTLDJGSKSPW-ZDXQCDESSA-N 2 0 414.638 3.908 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589815 989967553 /nfs/dbraw/zinc/96/75/53/989967553.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000465609380 989991965 /nfs/dbraw/zinc/99/19/65/989991965.db2.gz UFQFGHITXLLGSU-TZIWHRDSSA-N 2 0 406.640 3.942 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704313 990090636 /nfs/dbraw/zinc/09/06/36/990090636.db2.gz GZZPFHUWBNERPK-MXKPZRPRSA-N 2 0 406.640 3.941 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713092 990097880 /nfs/dbraw/zinc/09/78/80/990097880.db2.gz BBRVDDVTAMUCNE-ZYSHUDEJSA-N 2 0 414.516 3.870 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000465730660 990116198 /nfs/dbraw/zinc/11/61/98/990116198.db2.gz UIZQBNNVXNZPOL-HSZRJFAPSA-N 2 0 400.611 3.881 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757289 990143128 /nfs/dbraw/zinc/14/31/28/990143128.db2.gz OLBHPYFYDNSDLM-IRLDBZIGSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820543 990204021 /nfs/dbraw/zinc/20/40/21/990204021.db2.gz XWPIDDUSNUAZJM-GOTSBHOMSA-N 2 0 424.589 3.888 20 0 HHADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)c1ccccc1 ZINC000465820952 990204755 /nfs/dbraw/zinc/20/47/55/990204755.db2.gz XRZZEAUXSHBVMF-HSZRJFAPSA-N 2 0 423.605 3.649 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824627 990208459 /nfs/dbraw/zinc/20/84/59/990208459.db2.gz ZXVRZLWRABWGIO-ISKFKSNPSA-N 2 0 408.590 3.761 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000465878397 990995063 /nfs/dbraw/zinc/99/50/63/990995063.db2.gz XQGWVMBQKWHXHC-JOCHJYFZSA-N 2 0 422.658 3.564 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907277 991036714 /nfs/dbraw/zinc/03/67/14/991036714.db2.gz ILEUQCBDWLIGSE-FQEVSTJZSA-N 2 0 421.029 3.925 20 0 HHADRP CN1CCC(CNC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956199 991096772 /nfs/dbraw/zinc/09/67/72/991096772.db2.gz ONNYJPNLTLCBSH-XZOQPEGZSA-N 2 0 412.622 3.647 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000466024546 991194219 /nfs/dbraw/zinc/19/42/19/991194219.db2.gz DBGUQKKTMYBEAV-UTKZUKDTSA-N 2 0 418.582 3.831 20 0 HHADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215526 991426891 /nfs/dbraw/zinc/42/68/91/991426891.db2.gz GJSHKGGAMBPOHR-MHECFPHRSA-N 2 0 406.574 3.697 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466248273 991483857 /nfs/dbraw/zinc/48/38/57/991483857.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 2 0 420.601 3.513 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cncc(Br)c3)CC2)c1 ZINC000466378624 991661821 /nfs/dbraw/zinc/66/18/21/991661821.db2.gz PIWJNZIKSVNLFK-UHFFFAOYSA-N 2 0 417.395 3.845 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466530741 991829454 /nfs/dbraw/zinc/82/94/54/991829454.db2.gz RRIJTJXXWDPZBD-XUZZJYLKSA-N 2 0 420.601 3.955 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466541537 991847480 /nfs/dbraw/zinc/84/74/80/991847480.db2.gz RQQANMVALIPJKB-UNMCSNQZSA-N 2 0 421.589 3.613 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466863738 992183430 /nfs/dbraw/zinc/18/34/30/992183430.db2.gz QETPGVXQMHGISU-RUZDIDTESA-N 2 0 422.617 3.844 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000466930227 992243126 /nfs/dbraw/zinc/24/31/26/992243126.db2.gz WWFRFFVUTQTNRF-FQEVSTJZSA-N 2 0 409.574 3.594 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000467008990 992316801 /nfs/dbraw/zinc/31/68/01/992316801.db2.gz HRBHHHGCEYNXGY-QILAJZQNSA-N 2 0 420.601 3.786 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000467175954 992496885 /nfs/dbraw/zinc/49/68/85/992496885.db2.gz LWWIBCKGWIVYTP-QUCCMNQESA-N 2 0 407.624 3.623 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691248 992947291 /nfs/dbraw/zinc/94/72/91/992947291.db2.gz ANTOFPLSJBYRIB-UPUUWEMXSA-N 2 0 421.585 3.689 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000467701496 992957347 /nfs/dbraw/zinc/95/73/47/992957347.db2.gz VYVAIZDWYNHMBP-RTWAWAEBSA-N 2 0 402.583 3.886 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000467835739 993067680 /nfs/dbraw/zinc/06/76/80/993067680.db2.gz YBWDPPAQDZBXOW-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000472093857 993144150 /nfs/dbraw/zinc/14/41/50/993144150.db2.gz LRRWPFKPHMJFRF-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114738 993166262 /nfs/dbraw/zinc/16/62/62/993166262.db2.gz HHYZANCUXCQODG-FTBPSBKWSA-N 2 0 420.601 3.718 20 0 HHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000472139710 993194501 /nfs/dbraw/zinc/19/45/01/993194501.db2.gz GMROJWBSICMTHC-UHFFFAOYSA-N 2 0 422.333 3.974 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472311387 993323001 /nfs/dbraw/zinc/32/30/01/993323001.db2.gz IEFDHTKBTNCZPJ-ZEQRLZLVSA-N 2 0 412.622 3.806 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480718084 993586040 /nfs/dbraw/zinc/58/60/40/993586040.db2.gz UOYFUHANRQSZSR-NRFANRHFSA-N 2 0 410.606 3.812 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(Br)ccc3F)cn2)CC1 ZINC000480725081 993593278 /nfs/dbraw/zinc/59/32/78/993593278.db2.gz XCVPOFJEYUNRAI-OAHLLOKOSA-N 2 0 421.358 3.976 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480760769 993626141 /nfs/dbraw/zinc/62/61/41/993626141.db2.gz IENVKHWPFCLJLQ-FQEVSTJZSA-N 2 0 414.619 3.813 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000480771196 993635885 /nfs/dbraw/zinc/63/58/85/993635885.db2.gz URHRVAUERNRDQB-SFHVURJKSA-N 2 0 412.441 3.993 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccc1S(C)(=O)=O ZINC000480775348 993640796 /nfs/dbraw/zinc/64/07/96/993640796.db2.gz OYODJWXBZKGACO-QGZVFWFLSA-N 2 0 404.576 3.790 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480780290 993647398 /nfs/dbraw/zinc/64/73/98/993647398.db2.gz QBSCSPOXKSUAGJ-KRWDZBQOSA-N 2 0 409.500 3.692 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899066 993756183 /nfs/dbraw/zinc/75/61/83/993756183.db2.gz OATUCSAHWHOJST-IBGZPJMESA-N 2 0 421.589 3.569 20 0 HHADRP CCS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036854 993881109 /nfs/dbraw/zinc/88/11/09/993881109.db2.gz OCLPWLMNBFNTPW-UGKGYDQZSA-N 2 0 403.636 3.763 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000481083843 993923055 /nfs/dbraw/zinc/92/30/55/993923055.db2.gz YXDPZMJYDBSTPP-QFIPXVFZSA-N 2 0 416.516 3.531 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000473064980 993985184 /nfs/dbraw/zinc/98/51/84/993985184.db2.gz MCCDLKYNAHETOW-GOSISDBHSA-N 2 0 418.029 3.939 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192319 994025517 /nfs/dbraw/zinc/02/55/17/994025517.db2.gz SLUAEQSUSPAEEL-AGHHOFFYSA-N 2 0 422.491 3.945 20 0 HHADRP C(=C\C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157786 994028704 /nfs/dbraw/zinc/02/87/04/994028704.db2.gz GLAGBFCIXIEDBZ-FLZZATCISA-N 2 0 402.538 3.805 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000481259311 994080950 /nfs/dbraw/zinc/08/09/50/994080950.db2.gz ZPWPMUIWVHLACH-LJQANCHMSA-N 2 0 403.368 3.837 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000481292703 994107647 /nfs/dbraw/zinc/10/76/47/994107647.db2.gz FQFBGYDBMMSHEM-IBGZPJMESA-N 2 0 415.603 3.919 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000481304065 994120053 /nfs/dbraw/zinc/12/00/53/994120053.db2.gz XQGVGMIDZKDHIH-NQIIRXRSSA-N 2 0 413.566 3.672 20 0 HHADRP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481407264 994241187 /nfs/dbraw/zinc/24/11/87/994241187.db2.gz SPEKTAYZISUWQA-OAHLLOKOSA-N 2 0 420.351 3.679 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCN(Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718498 994579236 /nfs/dbraw/zinc/57/92/36/994579236.db2.gz PZDDKWCLEZIIGB-RLWLMLJZSA-N 2 0 422.617 3.802 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000473734196 994631723 /nfs/dbraw/zinc/63/17/23/994631723.db2.gz GEGDGJLUEMOIHI-PMACEKPBSA-N 2 0 412.622 3.849 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473820259 994748310 /nfs/dbraw/zinc/74/83/10/994748310.db2.gz VEJDNVNXFFVTKL-HSZRJFAPSA-N 2 0 421.589 3.615 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820039 994748353 /nfs/dbraw/zinc/74/83/53/994748353.db2.gz IKQZPDDEBWNKGC-WOJBJXKFSA-N 2 0 413.610 3.603 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000473838370 994772722 /nfs/dbraw/zinc/77/27/22/994772722.db2.gz WAGWWDVGJCJSBS-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP CC(C)Sc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000473846035 994782870 /nfs/dbraw/zinc/78/28/70/994782870.db2.gz HQPWXBALXGLCDL-UHFFFAOYSA-N 2 0 413.591 3.916 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481910728 994783359 /nfs/dbraw/zinc/78/33/59/994783359.db2.gz BKMYXKPNUOIIQH-LJQANCHMSA-N 2 0 409.983 3.551 20 0 HHADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481923348 994796027 /nfs/dbraw/zinc/79/60/27/994796027.db2.gz ZPNUQJBJRHCGMA-IBGZPJMESA-N 2 0 416.031 3.801 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932188 994804741 /nfs/dbraw/zinc/80/47/41/994804741.db2.gz MQLKSSSQIVLDII-RLLQIKCJSA-N 2 0 410.002 3.654 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473962925 994944136 /nfs/dbraw/zinc/94/41/36/994944136.db2.gz HEORZWNXYJKURW-SJBKTWHCSA-N 2 0 400.611 3.563 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474044514 995034910 /nfs/dbraw/zinc/03/49/10/995034910.db2.gz NCXVPBPNSYPZAZ-CSKPTYFESA-N 2 0 412.622 3.981 20 0 HHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCCO2 ZINC000482109085 995056487 /nfs/dbraw/zinc/05/64/87/995056487.db2.gz JDJODKCAWXNORH-OAQYLSRUSA-N 2 0 400.954 3.751 20 0 HHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482110460 995057667 /nfs/dbraw/zinc/05/76/67/995057667.db2.gz OTNCRZSWCIGECR-NRFANRHFSA-N 2 0 400.954 3.751 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071962 995058359 /nfs/dbraw/zinc/05/83/59/995058359.db2.gz HNUHIAPUOJZSOV-RDPSFJRHSA-N 2 0 421.585 3.905 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482121488 995069654 /nfs/dbraw/zinc/06/96/54/995069654.db2.gz QUGVAMZBBSDDRU-GOSISDBHSA-N 2 0 422.602 3.771 20 0 HHADRP COC(=O)c1ccc(COc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc2OC)o1 ZINC000482197290 995175874 /nfs/dbraw/zinc/17/58/74/995175874.db2.gz HOAUNDGINOZQJH-ZWKOTPCHSA-N 2 0 416.518 3.616 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482256280 995234267 /nfs/dbraw/zinc/23/42/67/995234267.db2.gz MHQMWECAKFYFTG-HNNXBMFYSA-N 2 0 402.608 3.891 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000482256438 995234546 /nfs/dbraw/zinc/23/45/46/995234546.db2.gz HGBKQQCLFOYPAS-QFIPXVFZSA-N 2 0 402.510 3.786 20 0 HHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000482258593 995236508 /nfs/dbraw/zinc/23/65/08/995236508.db2.gz FSNGQJCWVBBBCC-RUZDIDTESA-N 2 0 410.558 3.962 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482318731 995297186 /nfs/dbraw/zinc/29/71/86/995297186.db2.gz KTNONESSIZQTIY-IBGZPJMESA-N 2 0 410.400 3.526 20 0 HHADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000482338902 995317663 /nfs/dbraw/zinc/31/76/63/995317663.db2.gz YDRZOQVLYDASJQ-RUZDIDTESA-N 2 0 413.581 3.981 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482434226 995427019 /nfs/dbraw/zinc/42/70/19/995427019.db2.gz FACCTXKKAHFMLZ-AGHUKTAOSA-N 2 0 403.570 3.973 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]CCCCc3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC000474480545 995438866 /nfs/dbraw/zinc/43/88/66/995438866.db2.gz UZRCPXVLLRLMST-UHFFFAOYSA-N 2 0 406.496 3.965 20 0 HHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482450524 995449903 /nfs/dbraw/zinc/44/99/03/995449903.db2.gz JTTKAOCPKAQGQI-GOSISDBHSA-N 2 0 417.985 3.782 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000482454660 995455196 /nfs/dbraw/zinc/45/51/96/995455196.db2.gz OTPYNCFIFFZYHB-FQEVSTJZSA-N 2 0 419.573 3.891 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)CN1CC[NH+](C)CC1 ZINC000482510742 995521309 /nfs/dbraw/zinc/52/13/09/995521309.db2.gz RYDDOLHPSAIHDI-QFBILLFUSA-N 2 0 402.583 3.800 20 0 HHADRP C[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)CN1CC[NH+](C)CC1 ZINC000482510738 995521350 /nfs/dbraw/zinc/52/13/50/995521350.db2.gz RYDDOLHPSAIHDI-LPHOPBHVSA-N 2 0 402.583 3.800 20 0 HHADRP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474570983 995533156 /nfs/dbraw/zinc/53/31/56/995533156.db2.gz WAJSNBPVGBBXAW-OAQYLSRUSA-N 2 0 423.605 3.789 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528853 995537439 /nfs/dbraw/zinc/53/74/39/995537439.db2.gz AGTVPTJRBUHKHQ-PGRDOPGGSA-N 2 0 417.956 3.940 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532939 995541908 /nfs/dbraw/zinc/54/19/08/995541908.db2.gz LCVIACODOUUOII-FUHWJXTLSA-N 2 0 416.566 3.504 20 0 HHADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482533636 995541957 /nfs/dbraw/zinc/54/19/57/995541957.db2.gz IDWKCQWPJJSDCD-AWEZNQCLSA-N 2 0 407.452 3.568 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482544390 995552551 /nfs/dbraw/zinc/55/25/51/995552551.db2.gz RWLSFMVNSHUDMT-VQIMIIECSA-N 2 0 400.592 3.665 20 0 HHADRP COC1CCN(C2(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CCCC2)CC1 ZINC000482642818 995637644 /nfs/dbraw/zinc/63/76/44/995637644.db2.gz CMGSUVWYSCXZPS-FQEVSTJZSA-N 2 0 403.611 3.701 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482644422 995639388 /nfs/dbraw/zinc/63/93/88/995639388.db2.gz VBSJYGCCJWREHK-FYYLOGMGSA-N 2 0 407.558 3.696 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653340 995647083 /nfs/dbraw/zinc/64/70/83/995647083.db2.gz WZTUWKKUECYLQR-LPHOPBHVSA-N 2 0 417.500 3.836 20 0 HHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000482662821 995654779 /nfs/dbraw/zinc/65/47/79/995654779.db2.gz YPEOTBGZNBOSTL-DLBZAZTESA-N 2 0 420.395 3.595 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000482724639 995709093 /nfs/dbraw/zinc/70/90/93/995709093.db2.gz SQHYDGUOCDLCFB-JOCHJYFZSA-N 2 0 423.523 3.964 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000482747113 995722184 /nfs/dbraw/zinc/72/21/84/995722184.db2.gz CZEFAGOJIGXYRU-UHFFFAOYSA-N 2 0 415.647 3.767 20 0 HHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1OC ZINC000474824329 995729790 /nfs/dbraw/zinc/72/97/90/995729790.db2.gz ZBPIQHBLOVAKBI-VQTJNVASSA-N 2 0 403.611 3.736 20 0 HHADRP COc1cc(Cl)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000482814177 995768031 /nfs/dbraw/zinc/76/80/31/995768031.db2.gz WDFAFDVQMWHUSB-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474937563 995812266 /nfs/dbraw/zinc/81/22/66/995812266.db2.gz WFLHMUURWMNZFK-ZDUSSCGKSA-N 2 0 408.306 3.584 20 0 HHADRP CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009681 995866398 /nfs/dbraw/zinc/86/63/98/995866398.db2.gz RNUQKIHOOREAJS-UPVQGACJSA-N 2 0 424.589 3.604 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012590 995869197 /nfs/dbraw/zinc/86/91/97/995869197.db2.gz IYIILISDXQUODU-ZEQRLZLVSA-N 2 0 406.574 3.739 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475015433 995871099 /nfs/dbraw/zinc/87/10/99/995871099.db2.gz IAIGUDNYAIFXFO-IBGZPJMESA-N 2 0 407.480 3.949 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139453 995947914 /nfs/dbraw/zinc/94/79/14/995947914.db2.gz NMANSPRQQCMTHE-NTKDMRAZSA-N 2 0 402.542 3.818 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000475154869 995958206 /nfs/dbraw/zinc/95/82/06/995958206.db2.gz RRXAXBVAKYXBCU-BEFAXECRSA-N 2 0 404.352 3.519 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000475160317 995960730 /nfs/dbraw/zinc/96/07/30/995960730.db2.gz WLLWTVLXAOCFSQ-IBGZPJMESA-N 2 0 405.464 3.703 20 0 HHADRP O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483120005 995987800 /nfs/dbraw/zinc/98/78/00/995987800.db2.gz SSZPGUXHQPQVEU-HXUWFJFHSA-N 2 0 413.562 3.803 20 0 HHADRP C[NH+](C)CCOc1ccccc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483122493 995988951 /nfs/dbraw/zinc/98/89/51/995988951.db2.gz SFFCOKFMABYVEX-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126832 995991175 /nfs/dbraw/zinc/99/11/75/995991175.db2.gz LMKWXOYYLYXTQF-WOJBJXKFSA-N 2 0 417.619 3.945 20 0 HHADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000475214673 996001705 /nfs/dbraw/zinc/00/17/05/996001705.db2.gz QQELQMIWDSYGQA-HMXCVIKNSA-N 2 0 417.395 3.926 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200700 996034018 /nfs/dbraw/zinc/03/40/18/996034018.db2.gz OKFUGQOJNWMAQP-QRVBRYPASA-N 2 0 411.537 3.593 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000475308631 996059838 /nfs/dbraw/zinc/05/98/38/996059838.db2.gz BLXRXHQXGLBAGQ-SMDVXAHOSA-N 2 0 410.606 3.699 20 0 HHADRP CC[NH+](CC)CC1CCN(c2cc(N3CCC(C[NH+](CC)CC)CC3)ncn2)CC1 ZINC000475356460 996087405 /nfs/dbraw/zinc/08/74/05/996087405.db2.gz UCYGAPRWILZWIJ-UHFFFAOYSA-N 2 0 416.658 3.593 20 0 HHADRP COC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000483520607 996230218 /nfs/dbraw/zinc/23/02/18/996230218.db2.gz VRNAXXHKHGYJHJ-HXUWFJFHSA-N 2 0 413.528 3.933 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000483642851 996304233 /nfs/dbraw/zinc/30/42/33/996304233.db2.gz MUQVHPTXXHODPT-UHFFFAOYSA-N 2 0 402.583 3.936 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327332 /nfs/dbraw/zinc/32/73/32/996327332.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 2 0 424.585 3.561 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC)c1 ZINC000483705539 996339536 /nfs/dbraw/zinc/33/95/36/996339536.db2.gz BVZNLTTYMICUFR-QHCPKHFHSA-N 2 0 416.610 3.784 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483823448 996410561 /nfs/dbraw/zinc/41/05/61/996410561.db2.gz SBBMTGCZVBYANQ-IBGZPJMESA-N 2 0 412.553 3.782 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475900321 996454913 /nfs/dbraw/zinc/45/49/13/996454913.db2.gz OUQVYJOWIJJLOP-RUZDIDTESA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483970959 996498928 /nfs/dbraw/zinc/49/89/28/996498928.db2.gz GNCIEXDDVDCDHG-URXFXBBRSA-N 2 0 420.601 3.861 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000476024692 996550518 /nfs/dbraw/zinc/55/05/18/996550518.db2.gz RFDKVANIXNHLEB-VWLOTQADSA-N 2 0 412.622 3.806 20 0 HHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCCO2 ZINC000484305054 996691496 /nfs/dbraw/zinc/69/14/96/996691496.db2.gz UKKSGZXWAPYYFI-OAQYLSRUSA-N 2 0 401.595 3.733 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000484481581 996801422 /nfs/dbraw/zinc/80/14/22/996801422.db2.gz WFBAZLSKWBSDBT-ICSRJNTNSA-N 2 0 413.562 3.574 20 0 HHADRP CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000476369074 996801891 /nfs/dbraw/zinc/80/18/91/996801891.db2.gz WNXFSTQQMGSGCP-UHFFFAOYSA-N 2 0 412.553 3.693 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483043 996804965 /nfs/dbraw/zinc/80/49/65/996804965.db2.gz LGMQLXONEWKNEL-HFZDXXHNSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000484501664 996828163 /nfs/dbraw/zinc/82/81/63/996828163.db2.gz ZHNIJPQGTWYKLE-FQEVSTJZSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000484508425 996837956 /nfs/dbraw/zinc/83/79/56/996837956.db2.gz PGPWYURIERXDCZ-NFBKMPQASA-N 2 0 409.574 3.511 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000485115972 997499095 /nfs/dbraw/zinc/49/90/95/997499095.db2.gz ZCRBAQUYERUJCR-SZPZYZBQSA-N 2 0 400.611 3.513 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000485115973 997499467 /nfs/dbraw/zinc/49/94/67/997499467.db2.gz ZCRBAQUYERUJCR-VXKWHMMOSA-N 2 0 400.611 3.513 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)c1 ZINC000485117537 997500381 /nfs/dbraw/zinc/50/03/81/997500381.db2.gz DBMCXBRDFVZXPD-DHIUTWEWSA-N 2 0 414.638 3.821 20 0 HHADRP O=C(Nc1cc(F)cc(NC(=O)c2ccc3c[nH+]cn3c2)c1)c1ccc2c[nH+]cn2c1 ZINC000485183274 997562936 /nfs/dbraw/zinc/56/29/36/997562936.db2.gz LEOZERHJCVGRAN-UHFFFAOYSA-N 2 0 414.400 3.626 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)c2cc1C ZINC000476983238 997607082 /nfs/dbraw/zinc/60/70/82/997607082.db2.gz KPXIMVCWSLINQK-JTHBVZDNSA-N 2 0 412.622 3.991 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986359 997610612 /nfs/dbraw/zinc/61/06/12/997610612.db2.gz PLPAPCCHJRMYJJ-WMZHIEFXSA-N 2 0 402.579 3.605 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000485247151 997632344 /nfs/dbraw/zinc/63/23/44/997632344.db2.gz REYCLXMSZMORAZ-YKSBVNFPSA-N 2 0 408.590 3.889 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000485453547 997896509 /nfs/dbraw/zinc/89/65/09/997896509.db2.gz KANWCFKGLPPHJT-DZFGPLHGSA-N 2 0 407.002 3.849 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485486398 997939236 /nfs/dbraw/zinc/93/92/36/997939236.db2.gz CKAHXRPJYZHPIA-BJKOFHAPSA-N 2 0 412.622 3.805 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000477338637 998026286 /nfs/dbraw/zinc/02/62/86/998026286.db2.gz MNIDQUNGJSSLMF-QPPBQGQZSA-N 2 0 423.605 3.598 20 0 HHADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000477363243 998051550 /nfs/dbraw/zinc/05/15/50/998051550.db2.gz ZKJUJTDJDMDFGY-GOSISDBHSA-N 2 0 418.532 3.559 20 0 HHADRP Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000477663546 998376973 /nfs/dbraw/zinc/37/69/73/998376973.db2.gz HEPXGTZBOWJNNO-UHFFFAOYSA-N 2 0 424.561 3.742 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000477869087 998619023 /nfs/dbraw/zinc/61/90/23/998619023.db2.gz XBQKYXGTODGPDN-SFHVURJKSA-N 2 0 415.603 3.645 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255352 998678494 /nfs/dbraw/zinc/67/84/94/998678494.db2.gz VDROZJUWGZTSDG-QNWVGRARSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266793 998684952 /nfs/dbraw/zinc/68/49/52/998684952.db2.gz DVQMDWIXEFBCGQ-FUPPJEDESA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315812 998708897 /nfs/dbraw/zinc/70/88/97/998708897.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 2 0 420.601 3.861 20 0 HHADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486331899 998715852 /nfs/dbraw/zinc/71/58/52/998715852.db2.gz KOYVDNCUSQWYGT-FYYLOGMGSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000478049567 998735698 /nfs/dbraw/zinc/73/56/98/998735698.db2.gz WMXXYSGOZOMGAY-NRFANRHFSA-N 2 0 422.617 3.870 20 0 HHADRP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000478579041 999032514 /nfs/dbraw/zinc/03/25/14/999032514.db2.gz IQCZZBMBWIAHJG-ROUUACIJSA-N 2 0 410.562 3.659 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208946 999097264 /nfs/dbraw/zinc/09/72/64/999097264.db2.gz KIHALJLLWRFFAJ-DOPURONSSA-N 2 0 420.548 3.803 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000478786660 999140175 /nfs/dbraw/zinc/14/01/75/999140175.db2.gz XIKZQCILHIBARI-XMMPIXPASA-N 2 0 424.589 3.606 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000478901463 999202046 /nfs/dbraw/zinc/20/20/46/999202046.db2.gz USEUYGOWYOGYNW-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000487974276 999332800 /nfs/dbraw/zinc/33/28/00/999332800.db2.gz ATPHKRTUHXJABM-UHFFFAOYSA-N 2 0 408.590 3.747 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479264078 999353839 /nfs/dbraw/zinc/35/38/39/999353839.db2.gz SVNBVSNMMLLIQD-ZDUSSCGKSA-N 2 0 408.306 3.756 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000479307546 999376608 /nfs/dbraw/zinc/37/66/08/999376608.db2.gz NNSJBHKHSIGTPJ-OWADITBSSA-N 2 0 412.622 3.931 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331528 999389287 /nfs/dbraw/zinc/38/92/87/999389287.db2.gz RBPBMNUOOWPIQX-UONOGXRCSA-N 2 0 422.422 3.946 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4cc(Br)ccc43)ccn2)CC1 ZINC000479348884 999397840 /nfs/dbraw/zinc/39/78/40/999397840.db2.gz KDAPQDHLMPCUCG-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000488272079 999418884 /nfs/dbraw/zinc/41/88/84/999418884.db2.gz LYMITRRKEKPDAL-UHFFFAOYSA-N 2 0 414.554 3.514 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)CC1 ZINC000488324026 999440111 /nfs/dbraw/zinc/44/01/11/999440111.db2.gz JDBICJUILDLAQG-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479552955 999473930 /nfs/dbraw/zinc/47/39/30/999473930.db2.gz HVYIFBTZNGGWAT-OAQYLSRUSA-N 2 0 422.658 3.562 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488642410 999555212 /nfs/dbraw/zinc/55/52/12/999555212.db2.gz IUMAXZVUQRAWBX-IRLDBZIGSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000489210025 999723223 /nfs/dbraw/zinc/72/32/23/999723223.db2.gz ZXQPTVQMQGRKGT-NNMXDRDESA-N 2 0 414.619 3.951 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229494 999726742 /nfs/dbraw/zinc/72/67/42/999726742.db2.gz YFGKMIRTNGDBOP-BJLQDIEVSA-N 2 0 418.607 3.982 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249964 999730179 /nfs/dbraw/zinc/73/01/79/999730179.db2.gz PGJNHADIFJPMGQ-YLJYHZDGSA-N 2 0 418.607 3.982 20 0 HHADRP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254699 999731190 /nfs/dbraw/zinc/73/11/90/999731190.db2.gz KRSWCEPNKVGPNU-ZEQRLZLVSA-N 3 0 410.650 3.522 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000489304347 999741616 /nfs/dbraw/zinc/74/16/16/999741616.db2.gz YSPCOCJLJXNTTO-HSZRJFAPSA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489322801 999745492 /nfs/dbraw/zinc/74/54/92/999745492.db2.gz KNAJZFAVCSOQDF-XMMPIXPASA-N 2 0 420.601 3.957 20 0 HHADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327208 999746176 /nfs/dbraw/zinc/74/61/76/999746176.db2.gz KTBKZNJZENYBLK-CZSZKKDXSA-N 2 0 420.601 3.643 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000480268941 999760109 /nfs/dbraw/zinc/76/01/09/999760109.db2.gz VPVJWQZPIMPREK-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000480272156 999760703 /nfs/dbraw/zinc/76/07/03/999760703.db2.gz AKLPYNVGXHAJOQ-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Br)c(Cl)s2)ccn1 ZINC000480274128 999760953 /nfs/dbraw/zinc/76/09/53/999760953.db2.gz MDSZWCWNAADHBB-UHFFFAOYSA-N 2 0 404.761 3.789 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410734 999761153 /nfs/dbraw/zinc/76/11/53/999761153.db2.gz ZPKLXPWMCWEFKY-HZKQSDJQSA-N 2 0 404.624 3.503 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCCO2 ZINC000489493927 999778117 /nfs/dbraw/zinc/77/81/17/999778117.db2.gz HETXAOJYUBSYGN-OAQYLSRUSA-N 2 0 415.965 3.943 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000489536386 999786897 /nfs/dbraw/zinc/78/68/97/999786897.db2.gz XPPBMFFKPWIVSM-HJNYFJLDSA-N 2 0 410.562 3.626 20 0 HHADRP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466829 999805802 /nfs/dbraw/zinc/80/58/02/999805802.db2.gz ZEPOQRKEEJWJQM-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466824 999805854 /nfs/dbraw/zinc/80/58/54/999805854.db2.gz ZEPOQRKEEJWJQM-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000489657638 999811676 /nfs/dbraw/zinc/81/16/76/999811676.db2.gz HNGQHKMFFNXRHJ-UHFFFAOYSA-N 2 0 413.993 3.843 20 0 HHADRP COCCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000480522498 999818050 /nfs/dbraw/zinc/81/80/50/999818050.db2.gz CYNSKWWHHRCRBQ-FQEVSTJZSA-N 2 0 412.416 3.532 20 0 HHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480533417 999820017 /nfs/dbraw/zinc/82/00/17/999820017.db2.gz BKGMETYQRRRDRX-FQEVSTJZSA-N 2 0 421.589 3.590 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000480542788 999822470 /nfs/dbraw/zinc/82/24/70/999822470.db2.gz UCCARTVHAVADAL-JTSKRJEESA-N 2 0 404.002 3.757 20 0 HHADRP Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000480566744 999828397 /nfs/dbraw/zinc/82/83/97/999828397.db2.gz JJBGDIKXPJNYJQ-UHFFFAOYSA-N 2 0 421.585 3.528 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489774033 999835645 /nfs/dbraw/zinc/83/56/45/999835645.db2.gz GINZFMGATFZCQT-OALUTQOASA-N 2 0 414.516 3.651 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480616858 999842155 /nfs/dbraw/zinc/84/21/55/999842155.db2.gz WJCKGWGOOOQNRU-IRXDYDNUSA-N 2 0 402.608 3.804 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480621548 999843113 /nfs/dbraw/zinc/84/31/13/999843113.db2.gz FMCYHQCXLGOWLG-LPHOPBHVSA-N 2 0 402.583 3.942 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1 ZINC000480665492 999854396 /nfs/dbraw/zinc/85/43/96/999854396.db2.gz XRKJYAGWVILVSE-NHCUHLMSSA-N 2 0 410.606 3.932 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000489895356 999857476 /nfs/dbraw/zinc/85/74/76/999857476.db2.gz BFPBAKWHFAHWJG-UHFFFAOYSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695397 999861454 /nfs/dbraw/zinc/86/14/54/999861454.db2.gz JOSDBVHEBRKZET-HSALFYBXSA-N 2 0 404.562 3.991 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3OC(F)(F)F)cn2)CC1 ZINC000480697922 999862143 /nfs/dbraw/zinc/86/21/43/999862143.db2.gz MUJIQWARJSSATD-INIZCTEOSA-N 2 0 408.468 3.973 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000480711758 999865454 /nfs/dbraw/zinc/86/54/54/999865454.db2.gz HYAUQMGVOBLJSW-OAQYLSRUSA-N 2 0 420.601 3.802 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000490118229 999895421 /nfs/dbraw/zinc/89/54/21/999895421.db2.gz JXKDQOJXSWWVKC-BVFVYWQFSA-N 2 0 421.585 3.879 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490354378 999943240 /nfs/dbraw/zinc/94/32/40/999943240.db2.gz LJHFCWVKOPBLOR-CEWLAPEOSA-N 2 0 417.395 3.926 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000490620811 999985458 /nfs/dbraw/zinc/98/54/58/999985458.db2.gz DUFOUNDUGSMRDT-HSZRJFAPSA-N 2 0 410.562 3.894 20 0 HHADRP C[C@@H]1C[N@H+](CC/C=C/c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490649353 999988736 /nfs/dbraw/zinc/98/87/36/999988736.db2.gz OKUFADQPFMBPBV-ADYAGGNBSA-N 2 0 406.412 3.810 20 0 HHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490824967 1000012323 /nfs/dbraw/zinc/01/23/23/1000012323.db2.gz NPGOFOZVOSSTBP-UHFFFAOYSA-N 2 0 409.965 3.982 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491032602 1000036838 /nfs/dbraw/zinc/03/68/38/1000036838.db2.gz CFWKXHLYMNOGJN-NRFANRHFSA-N 2 0 421.354 3.972 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000491034692 1000037262 /nfs/dbraw/zinc/03/72/62/1000037262.db2.gz SXPVZSPNRQALMU-IERDGZPVSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492294971 1000120385 /nfs/dbraw/zinc/12/03/85/1000120385.db2.gz TUXGDBNBLLUHJH-CTNGQTDRSA-N 2 0 405.542 3.563 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492376908 1000124298 /nfs/dbraw/zinc/12/42/98/1000124298.db2.gz PJZLNNLADQEQSQ-FBBABVLZSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492376907 1000124355 /nfs/dbraw/zinc/12/43/55/1000124355.db2.gz PJZLNNLADQEQSQ-DSKINZAPSA-N 2 0 422.491 3.945 20 0 HHADRP Cc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)c2ccccc2Cl)cc1 ZINC000493012056 1000154201 /nfs/dbraw/zinc/15/42/01/1000154201.db2.gz XFBNUZWXYBMEMA-DEOSSOPVSA-N 2 0 416.009 3.718 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C)c2)CC1 ZINC000504490372 1000231316 /nfs/dbraw/zinc/23/13/16/1000231316.db2.gz UFSWHZAEHPBASG-UHFFFAOYSA-N 2 0 403.615 3.719 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc2)cc1 ZINC000494067743 1000292430 /nfs/dbraw/zinc/29/24/30/1000292430.db2.gz ZZXCPYWBBALVQT-VWLOTQADSA-N 2 0 417.553 3.866 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000504738653 1000348944 /nfs/dbraw/zinc/34/89/44/1000348944.db2.gz YRYRDZOHZCUFGQ-QFIPXVFZSA-N 2 0 412.553 3.565 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000494442662 1000494441 /nfs/dbraw/zinc/49/44/41/1000494441.db2.gz LJWOLILJRBYRHC-FDDCHVKYSA-N 2 0 416.585 3.552 20 0 HHADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)c2C1 ZINC000505300128 1000683216 /nfs/dbraw/zinc/68/32/16/1000683216.db2.gz PITYSTXGLBCBBQ-IBGZPJMESA-N 2 0 416.610 3.562 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)c1 ZINC000494913629 1000726758 /nfs/dbraw/zinc/72/67/58/1000726758.db2.gz ZIXVWSOTZIFTSM-JOCHJYFZSA-N 2 0 422.617 3.950 20 0 HHADRP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000495384037 1000993042 /nfs/dbraw/zinc/99/30/42/1000993042.db2.gz OOTYUUDQEMUFIJ-NRFANRHFSA-N 2 0 423.601 3.531 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000495420370 1001006228 /nfs/dbraw/zinc/00/62/28/1001006228.db2.gz HLQXPJCPGMFBOG-BBTUJRGHSA-N 2 0 401.576 3.619 20 0 HHADRP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495439907 1001012587 /nfs/dbraw/zinc/01/25/87/1001012587.db2.gz OPURLEZQZHDUCW-HNNXBMFYSA-N 2 0 420.351 3.679 20 0 HHADRP COc1cc([C@H](C)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441031 1001013600 /nfs/dbraw/zinc/01/36/00/1001013600.db2.gz ZSQKYHWRLRKPTQ-WAOWUJCRSA-N 2 0 416.587 3.660 20 0 HHADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495445429 1001014422 /nfs/dbraw/zinc/01/44/22/1001014422.db2.gz VHIIMVHOCRQRID-PGRDOPGGSA-N 2 0 419.013 3.820 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505857476 1001064633 /nfs/dbraw/zinc/06/46/33/1001064633.db2.gz RPKLXANYESHXOI-GGAORHGYSA-N 2 0 421.585 3.557 20 0 HHADRP c1ccc(-n2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c3c2CCC3)cc1 ZINC000506040886 1001183842 /nfs/dbraw/zinc/18/38/42/1001183842.db2.gz FWTHTIUPHZMASX-UHFFFAOYSA-N 2 0 408.590 3.685 20 0 HHADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050877 1001191377 /nfs/dbraw/zinc/19/13/77/1001191377.db2.gz FYBYEIDALXDWMF-TZIWHRDSSA-N 2 0 419.635 3.625 20 0 HHADRP Clc1ccc(-c2noc(CC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000506051568 1001192482 /nfs/dbraw/zinc/19/24/82/1001192482.db2.gz LQLPLRLOEOWTFA-UHFFFAOYSA-N 2 0 418.969 3.757 20 0 HHADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506055262 1001195427 /nfs/dbraw/zinc/19/54/27/1001195427.db2.gz BPSCQQOTLUIMTM-GOSISDBHSA-N 2 0 407.986 3.800 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000497320098 1001290991 /nfs/dbraw/zinc/29/09/91/1001290991.db2.gz UHTOLSHIZXNFCG-IBGZPJMESA-N 2 0 423.557 3.951 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C[C@@H]1C ZINC000497345623 1001301788 /nfs/dbraw/zinc/30/17/88/1001301788.db2.gz FEFNLMJAGBEEBP-WMTXJRDZSA-N 2 0 415.622 3.855 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302884 1001341370 /nfs/dbraw/zinc/34/13/70/1001341370.db2.gz XJUXDRPLBFVHKO-GMAHTHKFSA-N 2 0 412.622 3.947 20 0 HHADRP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000506405828 1001398723 /nfs/dbraw/zinc/39/87/23/1001398723.db2.gz UXHOBGMXOJDXKV-RUZDIDTESA-N 2 0 406.618 3.923 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934170 1001601583 /nfs/dbraw/zinc/60/15/83/1001601583.db2.gz OIAKFMGUTURZTL-SFTDATJTSA-N 2 0 422.683 3.644 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498115562 1001647088 /nfs/dbraw/zinc/64/70/88/1001647088.db2.gz AWKRMUQJLZHAEJ-QTGUNEKASA-N 2 0 412.553 3.638 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000498382469 1001812406 /nfs/dbraw/zinc/81/24/06/1001812406.db2.gz CRESJFJGDXVRAA-GLCCWIKHSA-N 2 0 400.611 3.802 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000507290629 1001974242 /nfs/dbraw/zinc/97/42/42/1001974242.db2.gz SLEPEOULCBAHIR-FQEVSTJZSA-N 2 0 414.619 3.530 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498687377 1002074751 /nfs/dbraw/zinc/07/47/51/1002074751.db2.gz ATEGVHJRTRWUHK-OFNKIYASSA-N 2 0 400.611 3.660 20 0 HHADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507505474 1002117417 /nfs/dbraw/zinc/11/74/17/1002117417.db2.gz DUKKHUMGKGEXTF-HPAIXVDQSA-N 2 0 400.513 3.724 20 0 HHADRP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000507533042 1002141642 /nfs/dbraw/zinc/14/16/42/1002141642.db2.gz SSZGWOJWGVLPQG-ZKMPZPQNSA-N 2 0 403.570 3.791 20 0 HHADRP COC1CC[NH+](C2(CN[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCCC2)CC1 ZINC000507537420 1002145893 /nfs/dbraw/zinc/14/58/93/1002145893.db2.gz YBGIBMONPAOFFR-ICDZXHCJSA-N 2 0 411.634 3.910 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507618161 1002222778 /nfs/dbraw/zinc/22/27/78/1002222778.db2.gz IFDCEFBSMTXWMW-DYESRHJHSA-N 2 0 423.536 3.690 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c(OCC)c2)CC1 ZINC000507617608 1002222856 /nfs/dbraw/zinc/22/28/56/1002222856.db2.gz HCIJYRDFVYMYNY-SFHVURJKSA-N 2 0 404.599 3.723 20 0 HHADRP c1ccc(COc2cccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c2)nc1 ZINC000507711736 1002301783 /nfs/dbraw/zinc/30/17/83/1002301783.db2.gz YRHVXQNDDGFBOL-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000499112096 1002502259 /nfs/dbraw/zinc/50/22/59/1002502259.db2.gz NWOSUVKYAZXSPZ-CDPNLFKUSA-N 2 0 408.590 3.888 20 0 HHADRP Fc1cccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139403 1002524731 /nfs/dbraw/zinc/52/47/31/1002524731.db2.gz OXBNAPADZGLAIV-FXSWLTOZSA-N 2 0 423.576 3.984 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141367 1002525380 /nfs/dbraw/zinc/52/53/80/1002525380.db2.gz LJQDFLGUZVERJM-ROPJFGRJSA-N 2 0 418.629 3.984 20 0 HHADRP Fc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153064 1002536591 /nfs/dbraw/zinc/53/65/91/1002536591.db2.gz QQFWESJJDOQJAU-FXSWLTOZSA-N 2 0 423.576 3.984 20 0 HHADRP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221120 1002606816 /nfs/dbraw/zinc/60/68/16/1002606816.db2.gz CYASOIIQNAEJGW-DAANFHMWSA-N 2 0 418.629 3.982 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236402 1002627012 /nfs/dbraw/zinc/62/70/12/1002627012.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 2 0 419.613 3.655 20 0 HHADRP c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499237864 1002629473 /nfs/dbraw/zinc/62/94/73/1002629473.db2.gz PFWJDZLYDUXICL-YIPNQBBMSA-N 2 0 419.613 3.715 20 0 HHADRP CC(C)CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000499249273 1002646408 /nfs/dbraw/zinc/64/64/08/1002646408.db2.gz ACQLYDNDIRZDCQ-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000508345550 1002846598 /nfs/dbraw/zinc/84/65/98/1002846598.db2.gz VLYCTTMZDATAMD-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP CCC[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1CCOC ZINC000499579151 1002956720 /nfs/dbraw/zinc/95/67/20/1002956720.db2.gz MDAIBYAUCRMZBN-HSZRJFAPSA-N 2 0 416.610 3.680 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OCc4ccc(F)cc4)c3)cn2)CC1 ZINC000499657197 1003017887 /nfs/dbraw/zinc/01/78/87/1003017887.db2.gz MXZGYJSRHXMTMM-UHFFFAOYSA-N 2 0 420.532 3.841 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692828 1003130644 /nfs/dbraw/zinc/13/06/44/1003130644.db2.gz BENOKFZMKMMGHK-PZJWPPBQSA-N 2 0 409.549 3.931 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693531 1003130898 /nfs/dbraw/zinc/13/08/98/1003130898.db2.gz CYAQCZZDIGLNNW-CUYJMHBOSA-N 2 0 406.618 3.697 20 0 HHADRP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699966 1003138219 /nfs/dbraw/zinc/13/82/19/1003138219.db2.gz PKRGUNZVTGYIRH-IFMALSPDSA-N 2 0 422.569 3.964 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716820 1003156757 /nfs/dbraw/zinc/15/67/57/1003156757.db2.gz LFJRDIGJZYALLF-OPHFCASCSA-N 2 0 411.565 3.699 20 0 HHADRP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508843784 1003264322 /nfs/dbraw/zinc/26/43/22/1003264322.db2.gz FTYONQGDNRMFGU-XXBNENTESA-N 2 0 409.578 3.631 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875269 1003295159 /nfs/dbraw/zinc/29/51/59/1003295159.db2.gz BVOGYZCJBOSYKV-YHYVQYDKSA-N 2 0 400.542 3.727 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000508883029 1003306588 /nfs/dbraw/zinc/30/65/88/1003306588.db2.gz SPGCWUJHVWHBHJ-XMSQKQJNSA-N 2 0 400.542 3.590 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508882770 1003306611 /nfs/dbraw/zinc/30/66/11/1003306611.db2.gz RDCYLCFTEBGECK-GCJKJVERSA-N 2 0 400.542 3.590 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899237 1003331608 /nfs/dbraw/zinc/33/16/08/1003331608.db2.gz SZNXJERRRNROKK-UNMCSNQZSA-N 2 0 419.491 3.860 20 0 HHADRP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500037839 1003363480 /nfs/dbraw/zinc/36/34/80/1003363480.db2.gz PZOFBAYIFVPLRY-OAQYLSRUSA-N 2 0 424.589 3.609 20 0 HHADRP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500037837 1003363582 /nfs/dbraw/zinc/36/35/82/1003363582.db2.gz PZOFBAYIFVPLRY-NRFANRHFSA-N 2 0 424.589 3.609 20 0 HHADRP CC[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000500104579 1003466322 /nfs/dbraw/zinc/46/63/22/1003466322.db2.gz PLWPSLHEPUGWRX-VWLOTQADSA-N 2 0 420.601 3.919 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000500113971 1003475965 /nfs/dbraw/zinc/47/59/65/1003475965.db2.gz HMLBAWYQQLLKOR-UHFFFAOYSA-N 2 0 410.562 3.681 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137289 1003497437 /nfs/dbraw/zinc/49/74/37/1003497437.db2.gz APELLRRKFKZSSU-NFBKMPQASA-N 2 0 418.626 3.744 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511844266 1003821990 /nfs/dbraw/zinc/82/19/90/1003821990.db2.gz RPLMWRQVZFWNMJ-FQEVSTJZSA-N 2 0 405.464 3.771 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000500758232 1003940365 /nfs/dbraw/zinc/94/03/65/1003940365.db2.gz JSTXCCRWCRNIHS-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000500763147 1003942930 /nfs/dbraw/zinc/94/29/30/1003942930.db2.gz KYQHPBVVHMZRJQ-QHCPKHFHSA-N 2 0 400.611 3.895 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000509566194 1003948202 /nfs/dbraw/zinc/94/82/02/1003948202.db2.gz DCVQMXSTJMFDFF-ZYSHUDEJSA-N 2 0 406.958 3.964 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 ZINC000512036668 1003972178 /nfs/dbraw/zinc/97/21/78/1003972178.db2.gz ATCHADWDCDDXFL-IAGOWNOFSA-N 2 0 410.484 3.870 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500832843 1003989548 /nfs/dbraw/zinc/98/95/48/1003989548.db2.gz YISQNTYUQVJUGG-SFTDATJTSA-N 2 0 415.626 3.698 20 0 HHADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCC[NH+]1CCOCC1 ZINC000512110096 1004030511 /nfs/dbraw/zinc/03/05/11/1004030511.db2.gz YYKWLWGLHWOYLY-AWEZNQCLSA-N 2 0 421.891 3.778 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000509751163 1004070761 /nfs/dbraw/zinc/07/07/61/1004070761.db2.gz MDQWNMBXPCFGAF-CBQOVEMMSA-N 2 0 414.619 3.951 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509766227 1004081713 /nfs/dbraw/zinc/08/17/13/1004081713.db2.gz HACRPVMRDRRLIN-TZIWHRDSSA-N 2 0 400.611 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189871 1004091708 /nfs/dbraw/zinc/09/17/08/1004091708.db2.gz QBTYRHQVFSLGHN-PKTZIBPZSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029370 1004132514 /nfs/dbraw/zinc/13/25/14/1004132514.db2.gz HPVDVKHFINKYSR-XUXNDYAISA-N 2 0 410.606 3.703 20 0 HHADRP Cn1nccc1-c1ccccc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000509848440 1004146233 /nfs/dbraw/zinc/14/62/33/1004146233.db2.gz IQBCBNAQUYXZMO-VWLOTQADSA-N 2 0 403.574 3.556 20 0 HHADRP C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501055412 1004157691 /nfs/dbraw/zinc/15/76/91/1004157691.db2.gz WGEWRSJWJQJNSF-UHFFFAOYSA-N 2 0 420.601 3.711 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181308 /nfs/dbraw/zinc/18/13/08/1004181308.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 2 0 417.553 3.661 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501087630 1004193320 /nfs/dbraw/zinc/19/33/20/1004193320.db2.gz MJZXVFGPWKZGNN-KRWDZBQOSA-N 2 0 400.954 3.588 20 0 HHADRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312536 1004209188 /nfs/dbraw/zinc/20/91/88/1004209188.db2.gz DREYQXSUKJDVEC-IPJJNNNSSA-N 2 0 401.595 3.847 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424679 1004291545 /nfs/dbraw/zinc/29/15/45/1004291545.db2.gz SHFPAYMENQPXGI-KUVYTWDVSA-N 2 0 424.633 3.945 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512445252 1004306980 /nfs/dbraw/zinc/30/69/80/1004306980.db2.gz YEUCZLVWJSLDBQ-UHFFFAOYSA-N 2 0 410.606 3.791 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000501248432 1004312738 /nfs/dbraw/zinc/31/27/38/1004312738.db2.gz BBEFVBUHODFALA-UHFFFAOYSA-N 2 0 410.562 3.587 20 0 HHADRP CC[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501351505 1004361543 /nfs/dbraw/zinc/36/15/43/1004361543.db2.gz LKOMYNLTFNQVKZ-JOCHJYFZSA-N 2 0 424.589 3.722 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000501402314 1004394551 /nfs/dbraw/zinc/39/45/51/1004394551.db2.gz YUHPFYIUJZUHFK-GOTSBHOMSA-N 2 0 416.610 3.642 20 0 HHADRP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N(Cc2ccccc2)C1 ZINC000512626890 1004439826 /nfs/dbraw/zinc/43/98/26/1004439826.db2.gz XJBSZPFXRJJPGE-LDTQXXFPSA-N 2 0 419.613 3.512 20 0 HHADRP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634554 1004447154 /nfs/dbraw/zinc/44/71/54/1004447154.db2.gz DOCRSMKSXKJTKE-ICDZXHCJSA-N 2 0 421.585 3.544 20 0 HHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000512637090 1004449641 /nfs/dbraw/zinc/44/96/41/1004449641.db2.gz RIHRBPBOJMDSLM-OAQXCZEZSA-N 2 0 412.618 3.911 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646887 1004457799 /nfs/dbraw/zinc/45/77/99/1004457799.db2.gz DXVFLLNVKUKELA-ZKMPZPQNSA-N 2 0 419.617 3.953 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CC1 ZINC000512649420 1004460754 /nfs/dbraw/zinc/46/07/54/1004460754.db2.gz RYQNYNYXGOAHIY-DQUFFZNGSA-N 2 0 411.634 3.844 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512669877 1004479557 /nfs/dbraw/zinc/47/95/57/1004479557.db2.gz ZVFMTTUFASVAAL-OAQYLSRUSA-N 2 0 407.549 3.916 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533510 1004496618 /nfs/dbraw/zinc/49/66/18/1004496618.db2.gz AROXWEFMDFLEPE-NRFANRHFSA-N 2 0 416.928 3.828 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000512719140 1004516397 /nfs/dbraw/zinc/51/63/97/1004516397.db2.gz YVLCCRUTOQCWLW-UHFFFAOYSA-N 2 0 423.479 3.855 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000512820773 1004579888 /nfs/dbraw/zinc/57/98/88/1004579888.db2.gz NTNUNYIWNVYTPP-JTHBVZDNSA-N 2 0 416.610 3.736 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512825819 1004584289 /nfs/dbraw/zinc/58/42/89/1004584289.db2.gz GYOJNRKVAPDNPR-VQTJNVASSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510488128 1004605574 /nfs/dbraw/zinc/60/55/74/1004605574.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 2 0 412.622 3.776 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552043 1004689713 /nfs/dbraw/zinc/68/97/13/1004689713.db2.gz VEIGZQZWRGCADX-RDPSFJRHSA-N 2 0 408.590 3.558 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000501771522 1004710365 /nfs/dbraw/zinc/71/03/65/1004710365.db2.gz GWOOKJWJQPOYMS-DEOSSOPVSA-N 2 0 415.622 3.593 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510570084 1004714433 /nfs/dbraw/zinc/71/44/33/1004714433.db2.gz FAYSNUYXEZGBBC-UGKGYDQZSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785188 1004726656 /nfs/dbraw/zinc/72/66/56/1004726656.db2.gz KNTAXPSAIDASKD-QGZVFWFLSA-N 2 0 402.608 3.697 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580989 1004728822 /nfs/dbraw/zinc/72/88/22/1004728822.db2.gz QSSQQJQOMVEJSF-SKWRMQMOSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501810953 1004751459 /nfs/dbraw/zinc/75/14/59/1004751459.db2.gz UCBVFNDYXBJEPL-HYBUGGRVSA-N 2 0 406.574 3.570 20 0 HHADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000513052176 1004780522 /nfs/dbraw/zinc/78/05/22/1004780522.db2.gz PJROCGPYFBIHBY-UHFFFAOYSA-N 2 0 422.411 3.956 20 0 HHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000513063920 1004786886 /nfs/dbraw/zinc/78/68/86/1004786886.db2.gz JKRMDRXUYSHONH-IBGZPJMESA-N 2 0 400.485 3.832 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)CC2)CC1 ZINC000513069472 1004790510 /nfs/dbraw/zinc/79/05/10/1004790510.db2.gz OKHMJVDCHPWUDY-UHFFFAOYSA-N 2 0 423.020 3.592 20 0 HHADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840550 1004885533 /nfs/dbraw/zinc/88/55/33/1004885533.db2.gz GAVKNYNPWHIWJQ-NRFANRHFSA-N 2 0 401.501 3.887 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000513326811 1004913323 /nfs/dbraw/zinc/91/33/23/1004913323.db2.gz XHTMEJGLHUXJHV-OFVILXPXSA-N 2 0 407.602 3.786 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000513460797 1004976737 /nfs/dbraw/zinc/97/67/37/1004976737.db2.gz IDFPWVFKLDIUBA-LJQANCHMSA-N 2 0 418.379 3.921 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000513659788 1005070349 /nfs/dbraw/zinc/07/03/49/1005070349.db2.gz DFIYNZOZFXAOLQ-TXCZRRACSA-N 2 0 402.892 3.795 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCCC2)CC1 ZINC000502434642 1005075005 /nfs/dbraw/zinc/07/50/05/1005075005.db2.gz LEGIKYWDXPPQMU-UHFFFAOYSA-N 2 0 413.606 3.826 20 0 HHADRP C[C@@H](NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC000511253162 1005093123 /nfs/dbraw/zinc/09/31/23/1005093123.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 2 0 420.601 3.981 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513733873 1005101714 /nfs/dbraw/zinc/10/17/14/1005101714.db2.gz XFBYGFGKHWBQCQ-UHFFFAOYSA-N 2 0 422.617 3.941 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000513756464 1005111519 /nfs/dbraw/zinc/11/15/19/1005111519.db2.gz GFJNPSMWDDRAPA-XMMPIXPASA-N 2 0 409.574 3.549 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccco1 ZINC000502561472 1005119192 /nfs/dbraw/zinc/11/91/92/1005119192.db2.gz CKOXRNJDVCROOK-NRFANRHFSA-N 2 0 404.599 3.960 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1)C1CC1 ZINC000502577490 1005126201 /nfs/dbraw/zinc/12/62/01/1005126201.db2.gz CJDWGUSPEJPYGX-UHFFFAOYSA-N 2 0 413.606 3.824 20 0 HHADRP O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513816513 1005141327 /nfs/dbraw/zinc/14/13/27/1005141327.db2.gz PABGNHBOHIWBIW-QFIPXVFZSA-N 2 0 421.585 3.590 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000513859797 1005162364 /nfs/dbraw/zinc/16/23/64/1005162364.db2.gz PWMQTKVBJPOJPI-FQEVSTJZSA-N 2 0 416.363 3.518 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410259 1005164510 /nfs/dbraw/zinc/16/45/10/1005164510.db2.gz NTDRUGZQURRYRR-PMVMPFDFSA-N 2 0 412.622 3.503 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891125 1005175310 /nfs/dbraw/zinc/17/53/10/1005175310.db2.gz APBKVIVHZACPIS-FGCOXFRFSA-N 2 0 406.574 3.958 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511439991 1005177384 /nfs/dbraw/zinc/17/73/84/1005177384.db2.gz UKTAAPMOLZIFFO-QUCCMNQESA-N 2 0 418.651 3.912 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505718 1005204407 /nfs/dbraw/zinc/20/44/07/1005204407.db2.gz FCLFKLVIRXNGPQ-NHCUHLMSSA-N 2 0 405.533 3.621 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000502814597 1005228705 /nfs/dbraw/zinc/22/87/05/1005228705.db2.gz YNSMGMGUVYMFKY-DEOSSOPVSA-N 2 0 408.590 3.904 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000502829074 1005235515 /nfs/dbraw/zinc/23/55/15/1005235515.db2.gz PVEPKWSZWMDKCZ-MQSCRBSSSA-N 2 0 400.611 3.708 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000502843700 1005241431 /nfs/dbraw/zinc/24/14/31/1005241431.db2.gz JPRXXRPXNIPTDH-REWPJTCUSA-N 2 0 416.610 3.786 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000502856235 1005245897 /nfs/dbraw/zinc/24/58/97/1005245897.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 2 0 400.611 3.635 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccc(OC(F)(F)F)c3)C3CC3)cn2)CC1 ZINC000514081889 1005257170 /nfs/dbraw/zinc/25/71/70/1005257170.db2.gz DPISKMMPKLMAQU-NRFANRHFSA-N 2 0 420.479 3.973 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)c1 ZINC000514086589 1005259500 /nfs/dbraw/zinc/25/95/00/1005259500.db2.gz BMJMAROWROPWBR-HXUWFJFHSA-N 2 0 422.573 3.579 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096972 1005263949 /nfs/dbraw/zinc/26/39/49/1005263949.db2.gz YYZHEOGMTDTDRB-ZCNNSNEGSA-N 2 0 405.546 3.727 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)cc1 ZINC000502901422 1005266696 /nfs/dbraw/zinc/26/66/96/1005266696.db2.gz GYYUVEMZOXGXLV-JOCHJYFZSA-N 2 0 404.599 3.592 20 0 HHADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514154830 1005292079 /nfs/dbraw/zinc/29/20/79/1005292079.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 2 0 420.601 3.611 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[NH+](C)C)c1 ZINC000514181875 1005301351 /nfs/dbraw/zinc/30/13/51/1005301351.db2.gz FYZDBUKYQNSQQC-RPWUZVMVSA-N 2 0 424.589 3.743 20 0 HHADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185038 1005302985 /nfs/dbraw/zinc/30/29/85/1005302985.db2.gz BUTZNGHGDLBPQV-RUZDIDTESA-N 2 0 405.586 3.914 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000514235587 1005325604 /nfs/dbraw/zinc/32/56/04/1005325604.db2.gz FSHGQIFCXWFULH-DHIUTWEWSA-N 2 0 415.626 3.588 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000503053087 1005329213 /nfs/dbraw/zinc/32/92/13/1005329213.db2.gz JTJXJORWOUMWQQ-LJQANCHMSA-N 2 0 418.651 3.777 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000514243275 1005329377 /nfs/dbraw/zinc/32/93/77/1005329377.db2.gz QOKNESLSOFWUET-VWLOTQADSA-N 2 0 417.553 3.907 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000503056866 1005330573 /nfs/dbraw/zinc/33/05/73/1005330573.db2.gz HIGXEBKOCKVCIX-HYBUGGRVSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000514312624 1005335920 /nfs/dbraw/zinc/33/59/20/1005335920.db2.gz XAHJSHWEIWTYAE-UHFFFAOYSA-N 2 0 418.632 3.686 20 0 HHADRP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110581 1005349790 /nfs/dbraw/zinc/34/97/90/1005349790.db2.gz MEDCIQOFCUOXGS-HSZRJFAPSA-N 2 0 406.574 3.567 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000503282599 1005383160 /nfs/dbraw/zinc/38/31/60/1005383160.db2.gz KAHIVVMZUVXVMQ-QZTJIDSGSA-N 2 0 400.394 3.829 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000503337290 1005393126 /nfs/dbraw/zinc/39/31/26/1005393126.db2.gz CYJMYJCXJCEDNJ-SFTDATJTSA-N 2 0 404.599 3.960 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[NH+]2CCCC2)o1 ZINC000503339801 1005393612 /nfs/dbraw/zinc/39/36/12/1005393612.db2.gz IFBFMBQMWGZOEP-YADHBBJMSA-N 2 0 416.610 3.878 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503386194 1005404720 /nfs/dbraw/zinc/40/47/20/1005404720.db2.gz LPFULXDPWAZEER-XPWALMASSA-N 2 0 406.659 3.898 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000503416427 1005414088 /nfs/dbraw/zinc/41/40/88/1005414088.db2.gz WEBTUXJCJHDHMH-KNQAVFIVSA-N 2 0 404.574 3.582 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C[C@H]1C ZINC000503430495 1005418053 /nfs/dbraw/zinc/41/80/53/1005418053.db2.gz RTLHGXFNZBASFD-XJUOHMSHSA-N 2 0 415.622 3.576 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)CC1 ZINC000503463344 1005428051 /nfs/dbraw/zinc/42/80/51/1005428051.db2.gz CGCHXDBMRXOMJA-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503466335 1005429123 /nfs/dbraw/zinc/42/91/23/1005429123.db2.gz STRYUALRAWNIKA-PMACEKPBSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000503942252 1005516478 /nfs/dbraw/zinc/51/64/78/1005516478.db2.gz QPXBJFQDOUJMFL-UHFFFAOYSA-N 2 0 407.002 3.868 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)o1 ZINC000504024419 1005535137 /nfs/dbraw/zinc/53/51/37/1005535137.db2.gz JMEOXTRXKBKSNR-FQEVSTJZSA-N 2 0 401.526 3.530 20 0 HHADRP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289825 1005590290 /nfs/dbraw/zinc/59/02/90/1005590290.db2.gz PNEMTELSQJBAQK-PMACEKPBSA-N 2 0 424.511 3.550 20 0 HHADRP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289826 1005590358 /nfs/dbraw/zinc/59/03/58/1005590358.db2.gz PNEMTELSQJBAQK-UXHICEINSA-N 2 0 424.511 3.550 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000504296838 1005591657 /nfs/dbraw/zinc/59/16/57/1005591657.db2.gz VEWGWQILTYJHQC-PKTZIBPZSA-N 2 0 406.574 3.841 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000504398766 1005618716 /nfs/dbraw/zinc/61/87/16/1005618716.db2.gz IICGTWCVBORQJI-OAQYLSRUSA-N 2 0 423.605 3.587 20 0 HHADRP CN(c1ccccc1CNc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC[NH+](C)CC1 ZINC000514444391 1005994244 /nfs/dbraw/zinc/99/42/44/1005994244.db2.gz RGRSRNABBOBKPF-UHFFFAOYSA-N 2 0 422.617 3.786 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(C(F)(F)F)c1 ZINC000531128238 1006008026 /nfs/dbraw/zinc/00/80/26/1006008026.db2.gz IDEOVPWIRUDLSD-HKUYNNGSSA-N 2 0 417.541 3.642 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000514509675 1006012990 /nfs/dbraw/zinc/01/29/90/1006012990.db2.gz CIURGAQJTOJUIT-UHFFFAOYSA-N 2 0 421.589 3.664 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000534058115 1006029355 /nfs/dbraw/zinc/02/93/55/1006029355.db2.gz PWJJPQHDFPLCCK-KDOFPFPSSA-N 2 0 401.776 3.916 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000531207278 1006047331 /nfs/dbraw/zinc/04/73/31/1006047331.db2.gz GSLFYOCGIIUCJF-SIKLNZKXSA-N 2 0 412.603 3.867 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000514762225 1006114594 /nfs/dbraw/zinc/11/45/94/1006114594.db2.gz IXPYSJFCRIDYIJ-SFHVURJKSA-N 2 0 412.525 3.519 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395447 1006170935 /nfs/dbraw/zinc/17/09/35/1006170935.db2.gz KVXKYYIATSRBLA-OFNKIYASSA-N 2 0 400.611 3.659 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206985 1006199661 /nfs/dbraw/zinc/19/96/61/1006199661.db2.gz KIBOQRAZRJUXDD-RJYYHGSASA-N 2 0 424.992 3.892 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531455230 1006208087 /nfs/dbraw/zinc/20/80/87/1006208087.db2.gz RFKJEFJPNWWCPM-REWPJTCUSA-N 2 0 406.574 3.633 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248769 1006256187 /nfs/dbraw/zinc/25/61/87/1006256187.db2.gz ACPJUXPNRJEORY-GWKIZSTFSA-N 2 0 424.992 3.844 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250802 1006258276 /nfs/dbraw/zinc/25/82/76/1006258276.db2.gz MTESSPSJGSNAII-UTKZUKDTSA-N 2 0 424.992 3.988 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000531597602 1006295767 /nfs/dbraw/zinc/29/57/67/1006295767.db2.gz WZVBIFFFKIRPEU-GOSISDBHSA-N 2 0 409.574 3.839 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000531610126 1006304526 /nfs/dbraw/zinc/30/45/26/1006304526.db2.gz HLBQUJKZQPHGNV-UHFFFAOYSA-N 2 0 424.408 3.898 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000531610100 1006304661 /nfs/dbraw/zinc/30/46/61/1006304661.db2.gz MOQKCGUHTCYVPO-UHFFFAOYSA-N 2 0 418.585 3.923 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(OC)c1 ZINC000531711946 1006372109 /nfs/dbraw/zinc/37/21/09/1006372109.db2.gz UJIWQMATZAOTAA-ICSRJNTNSA-N 2 0 411.546 3.675 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](CO)c2ccccc2Cl)CC1 ZINC000515305987 1006384592 /nfs/dbraw/zinc/38/45/92/1006384592.db2.gz OZFDTBDMKWUVHT-INIZCTEOSA-N 2 0 408.373 3.611 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531776455 1006417210 /nfs/dbraw/zinc/41/72/10/1006417210.db2.gz LZKDDHXFOWOMIN-NRFANRHFSA-N 2 0 418.969 3.843 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848346 1006468732 /nfs/dbraw/zinc/46/87/32/1006468732.db2.gz VXTBXACWJIWGMZ-VWLOTQADSA-N 2 0 406.618 3.971 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cccc(CN2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000531848208 1006469003 /nfs/dbraw/zinc/46/90/03/1006469003.db2.gz UGFLIMWFDGKQAY-UHFFFAOYSA-N 2 0 420.601 3.629 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531931947 1006528228 /nfs/dbraw/zinc/52/82/28/1006528228.db2.gz WBKYBMQOMSSGFK-VQIMIIECSA-N 2 0 421.010 3.697 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939637 1006533100 /nfs/dbraw/zinc/53/31/00/1006533100.db2.gz FOIXPWXYEKTAGW-NTKDMRAZSA-N 2 0 406.574 3.601 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000531995294 1006566555 /nfs/dbraw/zinc/56/65/55/1006566555.db2.gz MTYUHVMYWXLRRN-IBGZPJMESA-N 2 0 404.558 3.988 20 0 HHADRP Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532046618 1006598583 /nfs/dbraw/zinc/59/85/83/1006598583.db2.gz WPZUCNYHFYBQEN-LJQANCHMSA-N 2 0 417.500 3.584 20 0 HHADRP CN(c1ccccc1C[NH2+]CCOc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000534646229 1006625785 /nfs/dbraw/zinc/62/57/85/1006625785.db2.gz MJGNCSIBZQLVKI-UHFFFAOYSA-N 2 0 422.495 3.799 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000532105689 1006638989 /nfs/dbraw/zinc/63/89/89/1006638989.db2.gz QKSWNNPUPZJJAA-QPPBQGQZSA-N 2 0 406.618 3.970 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000532120315 1006651912 /nfs/dbraw/zinc/65/19/12/1006651912.db2.gz YXVMUXVGLNNJDW-UHFFFAOYSA-N 2 0 424.614 3.985 20 0 HHADRP COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000538390996 1006660432 /nfs/dbraw/zinc/66/04/32/1006660432.db2.gz IGKBLHPKUGTARQ-RUZDIDTESA-N 2 0 407.558 3.648 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000532192410 1006710844 /nfs/dbraw/zinc/71/08/44/1006710844.db2.gz SRPLYIRGXRFZRL-FQEVSTJZSA-N 2 0 409.574 3.836 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000532195463 1006712604 /nfs/dbraw/zinc/71/26/04/1006712604.db2.gz RXJJKJZYTUYIDX-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532197130 1006713768 /nfs/dbraw/zinc/71/37/68/1006713768.db2.gz GQLQEKWFDLKIOS-JPYJTQIMSA-N 2 0 415.603 3.719 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cc(Br)cc4F)cn2)CC1 ZINC000532197239 1006713789 /nfs/dbraw/zinc/71/37/89/1006713789.db2.gz APJKPWFQODITIX-LJQANCHMSA-N 2 0 419.342 3.512 20 0 HHADRP CCOc1ccc([C@H](CC)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OCC ZINC000532197413 1006713913 /nfs/dbraw/zinc/71/39/13/1006713913.db2.gz SYLBZUFPKCBCST-NRFANRHFSA-N 2 0 412.578 3.872 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201050 1006716587 /nfs/dbraw/zinc/71/65/87/1006716587.db2.gz BCQRBXDVKKJZHE-OTWHNJEPSA-N 2 0 416.587 3.550 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874123 1006729546 /nfs/dbraw/zinc/72/95/46/1006729546.db2.gz FDENRCGDCCAHII-YADARESESA-N 2 0 410.558 3.651 20 0 HHADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000538465483 1006735109 /nfs/dbraw/zinc/73/51/09/1006735109.db2.gz BFANDDGBZWXRGQ-FQEVSTJZSA-N 2 0 411.512 3.860 20 0 HHADRP COc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000538603392 1006877149 /nfs/dbraw/zinc/87/71/49/1006877149.db2.gz CEDNJCOTEPFTGT-UHFFFAOYSA-N 2 0 415.553 3.529 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450569 1006892268 /nfs/dbraw/zinc/89/22/68/1006892268.db2.gz UMHYHMWMLSPYJJ-DBXWQHBBSA-N 2 0 412.544 3.536 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532517504 1006954491 /nfs/dbraw/zinc/95/44/91/1006954491.db2.gz GSPSCFQTEKTRFR-WATLYSKOSA-N 2 0 411.590 3.567 20 0 HHADRP COc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000516238896 1006968318 /nfs/dbraw/zinc/96/83/18/1006968318.db2.gz FRJNPPLOMGHKGR-VWLOTQADSA-N 2 0 421.585 3.861 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943343 1006985611 /nfs/dbraw/zinc/98/56/11/1006985611.db2.gz UHXBRLPIGQLWBI-VQIMIIECSA-N 2 0 410.965 3.646 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959563 1007006348 /nfs/dbraw/zinc/00/63/48/1007006348.db2.gz BIKPXUWCUILYMZ-PLMTUMEDSA-N 2 0 424.992 3.892 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963303 1007013585 /nfs/dbraw/zinc/01/35/85/1007013585.db2.gz YXZSTTQWPRUUBS-OXJNMPFZSA-N 2 0 410.965 3.646 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734520 1007016246 /nfs/dbraw/zinc/01/62/46/1007016246.db2.gz HSTABCBIAVQCJY-LOSJGSFVSA-N 2 0 405.586 3.750 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734519 1007016528 /nfs/dbraw/zinc/01/65/28/1007016528.db2.gz HSTABCBIAVQCJY-JWQCQUIFSA-N 2 0 405.586 3.750 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000516352956 1007035846 /nfs/dbraw/zinc/03/58/46/1007035846.db2.gz HZYJCPMLBYIGNL-AWEZNQCLSA-N 2 0 422.333 3.831 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760144 1007043728 /nfs/dbraw/zinc/04/37/28/1007043728.db2.gz UQYWAJWDIHRPCY-HXUWFJFHSA-N 2 0 409.578 3.857 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000534987229 1007046179 /nfs/dbraw/zinc/04/61/79/1007046179.db2.gz CDBJFWGZGWKIQA-WVSUBDOOSA-N 2 0 410.965 3.596 20 0 HHADRP c1ccc(OC2CC[NH+](CCCC[NH+]3CCC(Oc4ccccn4)CC3)CC2)nc1 ZINC000535009144 1007063683 /nfs/dbraw/zinc/06/36/83/1007063683.db2.gz ONJHZVSVLOABLI-UHFFFAOYSA-N 2 0 410.562 3.643 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000535018268 1007066570 /nfs/dbraw/zinc/06/65/70/1007066570.db2.gz FNWIHQSBKRKXDM-UHFFFAOYSA-N 2 0 418.651 3.914 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000535090087 1007103349 /nfs/dbraw/zinc/10/33/49/1007103349.db2.gz XPHWJHPXTBBOAH-UHFFFAOYSA-N 2 0 421.463 3.543 20 0 HHADRP Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000532708127 1007122235 /nfs/dbraw/zinc/12/22/35/1007122235.db2.gz QOZAGIKMUNJUGB-NFBKMPQASA-N 2 0 408.590 3.846 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000538851820 1007125043 /nfs/dbraw/zinc/12/50/43/1007125043.db2.gz DVUZSIZURLGNBH-UHFFFAOYSA-N 2 0 413.009 3.977 20 0 HHADRP C[NH+](C)CCOc1cccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000538876624 1007155821 /nfs/dbraw/zinc/15/58/21/1007155821.db2.gz PVIDXTXTXWHNCA-UHFFFAOYSA-N 2 0 402.970 3.644 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942346 1007225665 /nfs/dbraw/zinc/22/56/65/1007225665.db2.gz DHGRBGRWUWHMFT-OAQYLSRUSA-N 2 0 408.590 3.975 20 0 HHADRP Clc1cccc(-n2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)nn2)c1Cl ZINC000538967530 1007257917 /nfs/dbraw/zinc/25/79/17/1007257917.db2.gz BKPATAUMAOGTDT-UHFFFAOYSA-N 2 0 417.344 3.975 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)c(C)n2n1 ZINC000538986442 1007281877 /nfs/dbraw/zinc/28/18/77/1007281877.db2.gz WTRYTYILLBTLKC-FHWLQOOXSA-N 2 0 407.562 3.806 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000532927119 1007299596 /nfs/dbraw/zinc/29/95/96/1007299596.db2.gz WIIBZSHZPLDPCO-UHFFFAOYSA-N 2 0 403.954 3.880 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956655 1007323041 /nfs/dbraw/zinc/32/30/41/1007323041.db2.gz CWACNOQXJUXNPV-UWHLTILDSA-N 2 0 413.606 3.564 20 0 HHADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882524 1007327880 /nfs/dbraw/zinc/32/78/80/1007327880.db2.gz HWDDBKFYNHQBOH-AABGKKOBSA-N 2 0 411.512 3.874 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532968107 1007335156 /nfs/dbraw/zinc/33/51/56/1007335156.db2.gz SUPFUMAESLLXSI-NRFANRHFSA-N 2 0 409.578 3.768 20 0 HHADRP C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539065159 1007358962 /nfs/dbraw/zinc/35/89/62/1007358962.db2.gz LCNHHTUFKNIMSE-QRWLVFNGSA-N 2 0 407.352 3.774 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000539075743 1007366652 /nfs/dbraw/zinc/36/66/52/1007366652.db2.gz KIPAVIKMOIVXJH-IRXDYDNUSA-N 2 0 410.587 3.870 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000533038187 1007398832 /nfs/dbraw/zinc/39/88/32/1007398832.db2.gz XAROVNQFJVOUFF-JOCHJYFZSA-N 2 0 421.633 3.929 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119369 1007464334 /nfs/dbraw/zinc/46/43/34/1007464334.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 2 0 420.601 3.711 20 0 HHADRP CC(C)[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163868 1007464526 /nfs/dbraw/zinc/46/45/26/1007464526.db2.gz JWQKLMVNZVPLJG-QHCPKHFHSA-N 2 0 408.546 3.768 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000539202768 1007498518 /nfs/dbraw/zinc/49/85/18/1007498518.db2.gz IGXJTZXMFPLOFC-GOSISDBHSA-N 2 0 401.576 3.561 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000539310759 1007609065 /nfs/dbraw/zinc/60/90/65/1007609065.db2.gz KVODBEUJCKOWLB-LWYYNNOASA-N 2 0 418.601 3.511 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCC(=O)N1CCc3ccccc31)c1ccccc1O2 ZINC000539395704 1007701653 /nfs/dbraw/zinc/70/16/53/1007701653.db2.gz YUVVAMQLJHLNJY-QFIPXVFZSA-N 2 0 419.569 3.934 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677585 1007704059 /nfs/dbraw/zinc/70/40/59/1007704059.db2.gz VLBQKLHKDFLQKA-FDJUCDQWSA-N 2 0 422.976 3.786 20 0 HHADRP CCOc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535681254 1007710727 /nfs/dbraw/zinc/71/07/27/1007710727.db2.gz ONTKCFUGQMEZKD-HSZRJFAPSA-N 2 0 424.585 3.813 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535684351 1007715556 /nfs/dbraw/zinc/71/55/56/1007715556.db2.gz UVCMNOQSPBAABU-OPYAIIAOSA-N 2 0 422.976 3.742 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000517497512 1007720448 /nfs/dbraw/zinc/72/04/48/1007720448.db2.gz BHJDFPWOBZQSKR-RPBOFIJWSA-N 2 0 414.553 3.667 20 0 HHADRP COc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OC(C)C ZINC000517539043 1007755176 /nfs/dbraw/zinc/75/51/76/1007755176.db2.gz YJKHYTWKMQKYBH-QHCPKHFHSA-N 2 0 411.590 3.951 20 0 HHADRP C[NH+]1Cc2ccccc2[C@@H](Nc2cc(N[C@H]3C[N@@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739436 1007767007 /nfs/dbraw/zinc/76/70/07/1007767007.db2.gz HKUXUNLAPFMWQD-VXKWHMMOSA-N 2 0 400.530 3.674 20 0 HHADRP CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000539490765 1007802237 /nfs/dbraw/zinc/80/22/37/1007802237.db2.gz KQHUSPMAOOBPLG-OAQYLSRUSA-N 2 0 409.574 3.779 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(Br)c1 ZINC000539499415 1007811487 /nfs/dbraw/zinc/81/14/87/1007811487.db2.gz HCGICHJBIPULEC-LJQANCHMSA-N 2 0 421.358 3.976 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517636940 1007846063 /nfs/dbraw/zinc/84/60/63/1007846063.db2.gz CESUFMHTBYIQFI-LSQMVHIFSA-N 2 0 424.633 3.947 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000517636941 1007846467 /nfs/dbraw/zinc/84/64/67/1007846467.db2.gz CESUFMHTBYIQFI-SONWIMMPSA-N 2 0 424.633 3.947 20 0 HHADRP C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517664998 1007877700 /nfs/dbraw/zinc/87/77/00/1007877700.db2.gz MSGAYGWMGXEJBD-OAQYLSRUSA-N 2 0 423.601 3.586 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000539645965 1007962072 /nfs/dbraw/zinc/96/20/72/1007962072.db2.gz XGIXLCAWFGDVKY-URXFXBBRSA-N 2 0 402.627 3.766 20 0 HHADRP Cc1c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000539648066 1007965618 /nfs/dbraw/zinc/96/56/18/1007965618.db2.gz MYOBRDDUZQBHOX-KKSFZXQISA-N 2 0 420.001 3.577 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690437 1008009454 /nfs/dbraw/zinc/00/94/54/1008009454.db2.gz QEQDGUGQCYXXQU-YOEKFXIASA-N 2 0 403.611 3.845 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517918047 1008056511 /nfs/dbraw/zinc/05/65/11/1008056511.db2.gz VDLBBXAITBKALJ-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1-c1ccccc1 ZINC000539823774 1008118498 /nfs/dbraw/zinc/11/84/98/1008118498.db2.gz QRDYIJVXTHSDJN-UHFFFAOYSA-N 2 0 409.622 3.809 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000533808726 1008126865 /nfs/dbraw/zinc/12/68/65/1008126865.db2.gz DVOVNOZYPUFUTC-XMMPIXPASA-N 2 0 408.590 3.645 20 0 HHADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000539860136 1008145765 /nfs/dbraw/zinc/14/57/65/1008145765.db2.gz RMLWNMZJCQFEDH-UHFFFAOYSA-N 2 0 423.630 3.836 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094721 1008155966 /nfs/dbraw/zinc/15/59/66/1008155966.db2.gz UYLITJKGQZHJQZ-GGAORHGYSA-N 2 0 416.610 3.738 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958646 1008233661 /nfs/dbraw/zinc/23/36/61/1008233661.db2.gz ZJNQDZAVJJXING-WPFOTENUSA-N 2 0 422.573 3.577 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1)CC1CC1 ZINC000540016187 1008239189 /nfs/dbraw/zinc/23/91/89/1008239189.db2.gz QEXMLIXLBRLXGI-NRFANRHFSA-N 2 0 406.640 3.894 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045471 1008254747 /nfs/dbraw/zinc/25/47/47/1008254747.db2.gz PAOPDFVUXPZNSB-PMACEKPBSA-N 2 0 406.574 3.986 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047011 1008256853 /nfs/dbraw/zinc/25/68/53/1008256853.db2.gz LCDNXPWREHVEKT-CVDCTZTESA-N 2 0 413.606 3.849 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000540066152 1008268577 /nfs/dbraw/zinc/26/85/77/1008268577.db2.gz MIOVHJUQFRWGDI-UHFFFAOYSA-N 2 0 401.624 3.749 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540067975 1008268972 /nfs/dbraw/zinc/26/89/72/1008268972.db2.gz IMDMSMKWPZSGFI-UHFFFAOYSA-N 2 0 421.589 3.783 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000518442597 1008308048 /nfs/dbraw/zinc/30/80/48/1008308048.db2.gz XQSGHYXNQVNWBF-NRFANRHFSA-N 2 0 408.590 3.779 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540161557 1008317195 /nfs/dbraw/zinc/31/71/95/1008317195.db2.gz SDLHHOFLNFUWKI-VFNWGFHPSA-N 2 0 419.928 3.876 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1S(C)(=O)=O ZINC000540170342 1008320852 /nfs/dbraw/zinc/32/08/52/1008320852.db2.gz QAUJXPFEOIXLRB-QGZVFWFLSA-N 2 0 404.576 3.790 20 0 HHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000540172729 1008322237 /nfs/dbraw/zinc/32/22/37/1008322237.db2.gz UMHYAPWPOWZWIK-PMPSAXMXSA-N 2 0 401.364 3.998 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)ccc1F ZINC000540175095 1008322568 /nfs/dbraw/zinc/32/25/68/1008322568.db2.gz FUXOBKFVROSDPP-CQSZACIVSA-N 2 0 422.342 3.730 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612973 1008365460 /nfs/dbraw/zinc/36/54/60/1008365460.db2.gz OBEPLZXDIOUAAE-VQTJNVASSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000540394801 1008415015 /nfs/dbraw/zinc/41/50/15/1008415015.db2.gz KDLRKGUDAHFEOJ-VKGTZQKMSA-N 2 0 400.588 3.792 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405550 1008419035 /nfs/dbraw/zinc/41/90/35/1008419035.db2.gz ABDHTGFLSYICBD-HSZRJFAPSA-N 2 0 403.517 3.580 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000518835806 1008439667 /nfs/dbraw/zinc/43/96/67/1008439667.db2.gz NCRBPJNONLGJGW-ACRUOGEOSA-N 2 0 404.986 3.621 20 0 HHADRP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540494132 1008454266 /nfs/dbraw/zinc/45/42/66/1008454266.db2.gz QAFLKYLYLNLBDV-FPOVZHCZSA-N 2 0 407.558 3.852 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000540508034 1008460483 /nfs/dbraw/zinc/46/04/83/1008460483.db2.gz XGXVGSDMQCZHES-PGRDOPGGSA-N 2 0 403.530 3.906 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012093 1008500912 /nfs/dbraw/zinc/50/09/12/1008500912.db2.gz OPOLGMPKKLPKDQ-KKUQBAQOSA-N 3 0 412.666 3.540 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000545448721 1008561866 /nfs/dbraw/zinc/56/18/66/1008561866.db2.gz XTKTXWRUXPVVAK-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000519171542 1008576047 /nfs/dbraw/zinc/57/60/47/1008576047.db2.gz OREXBDUPDQMSFT-RXVVDRJESA-N 2 0 404.986 3.747 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000543074775 1008652314 /nfs/dbraw/zinc/65/23/14/1008652314.db2.gz XLWGUOLFZJBQFE-RHSMWYFYSA-N 2 0 409.596 3.580 20 0 HHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543081183 1008658275 /nfs/dbraw/zinc/65/82/75/1008658275.db2.gz BTNLSFPTYBJGJH-PGRDOPGGSA-N 2 0 411.615 3.827 20 0 HHADRP CC[NH+](CC)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549102316 1008667258 /nfs/dbraw/zinc/66/72/58/1008667258.db2.gz GBLVVGQXMDOIHC-KRIYCRJKSA-N 2 0 407.002 3.895 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000519304947 1008716561 /nfs/dbraw/zinc/71/65/61/1008716561.db2.gz XISGDBUUNPCENN-NRFANRHFSA-N 2 0 416.541 3.765 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000519305006 1008717597 /nfs/dbraw/zinc/71/75/97/1008717597.db2.gz ZQWGYUQQCFBZRJ-QFIPXVFZSA-N 2 0 412.578 3.935 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362095 1008760623 /nfs/dbraw/zinc/76/06/23/1008760623.db2.gz PNPGOACTNVJJEC-HSZRJFAPSA-N 2 0 409.549 3.950 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519363613 1008763427 /nfs/dbraw/zinc/76/34/27/1008763427.db2.gz JXFMEGYVEWOWNE-QHCPKHFHSA-N 2 0 409.549 3.950 20 0 HHADRP CSC1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000519371416 1008768949 /nfs/dbraw/zinc/76/89/49/1008768949.db2.gz MRDWAPXSXREULI-CQSZACIVSA-N 2 0 403.514 3.840 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204275 1008775672 /nfs/dbraw/zinc/77/56/72/1008775672.db2.gz GSJJVAWKWIXWHH-ILWGZMRPSA-N 2 0 400.611 3.659 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229415 1008798696 /nfs/dbraw/zinc/79/86/96/1008798696.db2.gz UPLXFXJNHXGNSM-JWQCQUIFSA-N 2 0 422.569 3.915 20 0 HHADRP C[N@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231553 1008802031 /nfs/dbraw/zinc/80/20/31/1008802031.db2.gz JGSUFJNDAADWSM-KUIDOIOASA-N 2 0 419.013 3.895 20 0 HHADRP CC(C)[N@H+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549243321 1008813235 /nfs/dbraw/zinc/81/32/35/1008813235.db2.gz PXYGGFYIMOVBBA-KRIYCRJKSA-N 2 0 407.002 3.893 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490463 1008863563 /nfs/dbraw/zinc/86/35/63/1008863563.db2.gz DSNCLPMGVBIEKW-VQTJNVASSA-N 2 0 406.640 3.914 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507032 1008879218 /nfs/dbraw/zinc/87/92/18/1008879218.db2.gz JXMLGSWVAWXBLI-KRWDZBQOSA-N 2 0 410.553 3.549 20 0 HHADRP CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC(C)(C)[NH2+]1 ZINC000519656813 1008944048 /nfs/dbraw/zinc/94/40/48/1008944048.db2.gz QLWJSYLNYFHJET-CQSZACIVSA-N 2 0 419.791 3.741 20 0 HHADRP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044641 /nfs/dbraw/zinc/04/46/41/1009044641.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 3 0 404.687 3.862 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460038 1009045294 /nfs/dbraw/zinc/04/52/94/1009045294.db2.gz GHVSZNLYWPTAIO-RLFYNMQTSA-N 2 0 401.378 3.976 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CC1 ZINC000543523868 1009115056 /nfs/dbraw/zinc/11/50/56/1009115056.db2.gz WNVQMXAJJZJAGQ-UHFFFAOYSA-N 2 0 420.601 3.788 20 0 HHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000549525154 1009134861 /nfs/dbraw/zinc/13/48/61/1009134861.db2.gz UEZHSOIJVTUZJA-UHFFFAOYSA-N 2 0 400.611 3.718 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000546166464 1009198222 /nfs/dbraw/zinc/19/82/22/1009198222.db2.gz QKWPANMYHCOKQP-XZOQPEGZSA-N 2 0 400.998 3.880 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](Cc3cccnc3)c3ccc(Cl)cc3)ccn2)CC1 ZINC000546167789 1009200091 /nfs/dbraw/zinc/20/00/91/1009200091.db2.gz YAYSBESGDFIMTJ-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000546199056 1009226631 /nfs/dbraw/zinc/22/66/31/1009226631.db2.gz FPNPCZDNBVSQIZ-RBUKOAKNSA-N 2 0 422.411 3.825 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000543643171 1009247225 /nfs/dbraw/zinc/24/72/25/1009247225.db2.gz ZAEJAZSNEHXYGI-PMACEKPBSA-N 2 0 400.611 3.933 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000520127712 1009280569 /nfs/dbraw/zinc/28/05/69/1009280569.db2.gz WYLGOECECITHEG-SFHVURJKSA-N 2 0 408.999 3.778 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000520127187 1009280615 /nfs/dbraw/zinc/28/06/15/1009280615.db2.gz DTSUKMLENNMUCB-QHCPKHFHSA-N 2 0 414.569 3.764 20 0 HHADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000543713887 1009316454 /nfs/dbraw/zinc/31/64/54/1009316454.db2.gz OGAZZXKMXBNMCV-HSZRJFAPSA-N 2 0 422.573 3.568 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C(C)(C)C)CC3)cc2)C1 ZINC000520196518 1009335932 /nfs/dbraw/zinc/33/59/32/1009335932.db2.gz NVQLPNMOPTVQFK-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(-c2cnn(C)c2)c1 ZINC000520198512 1009337837 /nfs/dbraw/zinc/33/78/37/1009337837.db2.gz NEMBCUQQLZCPSC-DEOSSOPVSA-N 2 0 404.558 3.642 20 0 HHADRP COc1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OC ZINC000520207345 1009341121 /nfs/dbraw/zinc/34/11/21/1009341121.db2.gz SEECVGVZZKYLGC-UHFFFAOYSA-N 2 0 417.981 3.655 20 0 HHADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773374 1009342452 /nfs/dbraw/zinc/34/24/52/1009342452.db2.gz IKQFHTXRKWAIQV-REWPJTCUSA-N 2 0 409.530 3.977 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520270400 1009387966 /nfs/dbraw/zinc/38/79/66/1009387966.db2.gz MAHKZHGNKYISNS-VWLOTQADSA-N 2 0 420.601 3.807 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000549839861 1009453037 /nfs/dbraw/zinc/45/30/37/1009453037.db2.gz ALWSAEWCOVFYQA-TWJOJJKGSA-N 2 0 408.586 3.880 20 0 HHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867943 1009487121 /nfs/dbraw/zinc/48/71/21/1009487121.db2.gz JFBPICAYHPPYCC-AQNXPRMDSA-N 2 0 412.496 3.615 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002966 1009603930 /nfs/dbraw/zinc/60/39/30/1009603930.db2.gz SRRVFVKPBYCZDB-CRAIPNDOSA-N 2 0 423.623 3.969 20 0 HHADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105654 1009705032 /nfs/dbraw/zinc/70/50/32/1009705032.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 2 0 421.560 3.942 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708475 1009775020 /nfs/dbraw/zinc/77/50/20/1009775020.db2.gz WGWHGIHZGVANCY-DENIHFKCSA-N 2 0 414.594 3.538 20 0 HHADRP C[C@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223470 1009832727 /nfs/dbraw/zinc/83/27/27/1009832727.db2.gz GOPVVFFTZCEBDE-VXKWHMMOSA-N 2 0 423.601 3.938 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000520780774 1009848540 /nfs/dbraw/zinc/84/85/40/1009848540.db2.gz FANFSTKZXFOUIG-JOCHJYFZSA-N 2 0 419.013 3.964 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782618 1009850547 /nfs/dbraw/zinc/85/05/47/1009850547.db2.gz YFKAOOPCUFCITG-BGYRXZFFSA-N 2 0 401.599 3.521 20 0 HHADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544368676 1009997464 /nfs/dbraw/zinc/99/74/64/1009997464.db2.gz QSHGMQXJBVAHST-XLIONFOSSA-N 2 0 410.965 3.599 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)CN1CC[NH+](C)CC1 ZINC000520958736 1010006449 /nfs/dbraw/zinc/00/64/49/1010006449.db2.gz DDVCNZUHXYGKLP-MRXNPFEDSA-N 2 0 406.368 3.682 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000521070516 1010087476 /nfs/dbraw/zinc/08/74/76/1010087476.db2.gz ZHFBPNMZAMHOIK-SFHVURJKSA-N 2 0 410.553 3.693 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521168319 1010200943 /nfs/dbraw/zinc/20/09/43/1010200943.db2.gz PFEWIPQRJRAOIJ-HXUWFJFHSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882965 1010240340 /nfs/dbraw/zinc/24/03/40/1010240340.db2.gz UHAZVIASYNNCIX-AZOUXBGGSA-N 2 0 423.605 3.526 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000544635738 1010259515 /nfs/dbraw/zinc/25/95/15/1010259515.db2.gz CLSHCQCWWUTTBA-WMZHIEFXSA-N 2 0 416.610 3.594 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426727 1010299692 /nfs/dbraw/zinc/29/96/92/1010299692.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 2 0 408.590 3.566 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505272 1010331481 /nfs/dbraw/zinc/33/14/81/1010331481.db2.gz LNMLWCNHTLXHQR-WHLIWEHUSA-N 2 0 408.590 3.695 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000544830177 1010420666 /nfs/dbraw/zinc/42/06/66/1010420666.db2.gz YXXGLWPTRPTUFU-UHFFFAOYSA-N 2 0 422.411 3.684 20 0 HHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000551263954 1010480385 /nfs/dbraw/zinc/48/03/85/1010480385.db2.gz HFTZRZVQBRQMLH-HXUWFJFHSA-N 2 0 407.624 3.778 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671258 1010538520 /nfs/dbraw/zinc/53/85/20/1010538520.db2.gz GSKQKSVBJIWVNL-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685921 1010549899 /nfs/dbraw/zinc/54/98/99/1010549899.db2.gz LIKYZGOKDQMKIR-SFHVURJKSA-N 2 0 414.516 3.511 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685755 1010550214 /nfs/dbraw/zinc/55/02/14/1010550214.db2.gz LIKYZGOKDQMKIR-GOSISDBHSA-N 2 0 414.516 3.511 20 0 HHADRP COc1ccc(C[C@H](C)C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011151 1010554911 /nfs/dbraw/zinc/55/49/11/1010554911.db2.gz PGPLMGGNOTVWKV-NRFANRHFSA-N 2 0 413.581 3.763 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000548410211 1010618092 /nfs/dbraw/zinc/61/80/92/1010618092.db2.gz UAGHBWFRYKKEGS-SFTDATJTSA-N 2 0 421.585 3.822 20 0 HHADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545302518 1010722402 /nfs/dbraw/zinc/72/24/02/1010722402.db2.gz AVRZOAISEORVBO-DYXWJJEUSA-N 2 0 405.542 3.561 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000522051393 1010781158 /nfs/dbraw/zinc/78/11/58/1010781158.db2.gz UNFBBKIVCACHQK-RUZDIDTESA-N 2 0 420.601 3.542 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522162358 1010841195 /nfs/dbraw/zinc/84/11/95/1010841195.db2.gz ZJOQVAJWBPCWFT-RUZDIDTESA-N 2 0 420.601 3.986 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000522446746 1011017755 /nfs/dbraw/zinc/01/77/55/1011017755.db2.gz KGCGXTBGBGYIOX-QHCPKHFHSA-N 2 0 412.553 3.832 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000522782078 1011215653 /nfs/dbraw/zinc/21/56/53/1011215653.db2.gz DUCVFRZLDLTBBD-OAQYLSRUSA-N 2 0 401.599 3.523 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000536157605 1011283849 /nfs/dbraw/zinc/28/38/49/1011283849.db2.gz HMFGEXWDYQGWJU-GOSISDBHSA-N 2 0 416.635 3.629 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522869317 1011311226 /nfs/dbraw/zinc/31/12/26/1011311226.db2.gz OOWQKKSSNNDGEZ-RUZDIDTESA-N 2 0 420.601 3.986 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204447 1011349333 /nfs/dbraw/zinc/34/93/33/1011349333.db2.gz PTKDWHNELLROKK-SGNDLWITSA-N 2 0 422.573 3.577 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536230704 1011379416 /nfs/dbraw/zinc/37/94/16/1011379416.db2.gz CUWURGLMIKVDJW-RBUKOAKNSA-N 2 0 414.516 3.738 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1OC ZINC000536308362 1011501548 /nfs/dbraw/zinc/50/15/48/1011501548.db2.gz HTZPIRWAAPRPHK-WWPVKYPJSA-N 2 0 402.579 3.853 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000523064862 1011534009 /nfs/dbraw/zinc/53/40/09/1011534009.db2.gz WMFXCQCXBWAEJB-QFIPXVFZSA-N 2 0 419.491 3.819 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991194 1011625364 /nfs/dbraw/zinc/62/53/64/1011625364.db2.gz DVEJJDSQVLEDFR-CPJSRVTESA-N 2 0 404.558 3.739 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991771 1011625447 /nfs/dbraw/zinc/62/54/47/1011625447.db2.gz KMKKEUCSBJFLKA-NQIIRXRSSA-N 2 0 406.448 3.929 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219409 1011707805 /nfs/dbraw/zinc/70/78/05/1011707805.db2.gz XIWXWZZKPFIHLN-DNQXCXABSA-N 2 0 423.605 3.689 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220154 1011708813 /nfs/dbraw/zinc/70/88/13/1011708813.db2.gz CKMKBWOSAQRJFH-NNWRFLSQSA-N 2 0 410.562 3.860 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536521006 1011712141 /nfs/dbraw/zinc/71/21/41/1011712141.db2.gz WLWKBEZFWXOBKH-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521051 1011712705 /nfs/dbraw/zinc/71/27/05/1011712705.db2.gz YONWWJHFZOPCCH-AZUAARDMSA-N 2 0 404.574 3.683 20 0 HHADRP CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302488 1011781304 /nfs/dbraw/zinc/78/13/04/1011781304.db2.gz OMBUMFNGEBPJFM-OAQYLSRUSA-N 2 0 411.512 3.822 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc4ccc(Cl)cn34)CC2)CC1 ZINC000536666837 1011819574 /nfs/dbraw/zinc/81/95/74/1011819574.db2.gz OWEDXRCXKYJZQO-UHFFFAOYSA-N 2 0 404.002 3.616 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704106 1011875056 /nfs/dbraw/zinc/87/50/56/1011875056.db2.gz QGSZJJACWYIQOH-OAQYLSRUSA-N 2 0 409.578 3.859 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000536707472 1011877665 /nfs/dbraw/zinc/87/76/65/1011877665.db2.gz GGFAEXAWVLNSDC-UHFFFAOYSA-N 2 0 421.501 3.599 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000541217475 1011890824 /nfs/dbraw/zinc/89/08/24/1011890824.db2.gz WJIYEFULEURZRL-CQSZACIVSA-N 2 0 409.596 3.580 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccccn3)c2)CC1 ZINC000536719545 1011894304 /nfs/dbraw/zinc/89/43/04/1011894304.db2.gz CTBNRYPABFHQIC-UHFFFAOYSA-N 2 0 423.605 3.952 20 0 HHADRP COc1cccc(C[C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000541220650 1011894568 /nfs/dbraw/zinc/89/45/68/1011894568.db2.gz VWRDVTXXJMVGFI-MRXNPFEDSA-N 2 0 422.495 3.582 20 0 HHADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724938 1011896920 /nfs/dbraw/zinc/89/69/20/1011896920.db2.gz XIJVAYLLIATETK-AUSIDOKSSA-N 2 0 422.573 3.648 20 0 HHADRP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536729004 1011901058 /nfs/dbraw/zinc/90/10/58/1011901058.db2.gz BNFHSSPORTYYHD-HXUWFJFHSA-N 2 0 406.574 3.988 20 0 HHADRP Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000523447181 1011945037 /nfs/dbraw/zinc/94/50/37/1011945037.db2.gz ANDNOKGFSBYOOS-KDURUIRLSA-N 2 0 404.599 3.813 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000536757238 1011950553 /nfs/dbraw/zinc/95/05/53/1011950553.db2.gz SGLNMGVCOCAGAY-UHFFFAOYSA-N 3 0 407.606 3.620 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000536762184 1011959560 /nfs/dbraw/zinc/95/95/60/1011959560.db2.gz KOOKPSLPNLZPCH-OFNKIYASSA-N 2 0 421.589 3.650 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536764382 1011963633 /nfs/dbraw/zinc/96/36/33/1011963633.db2.gz XRFGNJOGEIGZCN-QHCPKHFHSA-N 2 0 413.610 3.642 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000536767553 1011969204 /nfs/dbraw/zinc/96/92/04/1011969204.db2.gz LBDPJPRBBBFGPP-UHFFFAOYSA-N 2 0 413.610 3.596 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000523470797 1011979469 /nfs/dbraw/zinc/97/94/69/1011979469.db2.gz OVXXHIIJUDHDGT-JTHBVZDNSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000536819891 1012045974 /nfs/dbraw/zinc/04/59/74/1012045974.db2.gz HCYQOKKUAFRQLU-LJQANCHMSA-N 2 0 405.546 3.961 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523524388 1012051448 /nfs/dbraw/zinc/05/14/48/1012051448.db2.gz KQWPCTOMECGMRA-DEOSSOPVSA-N 2 0 412.622 3.947 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032742 1012057263 /nfs/dbraw/zinc/05/72/63/1012057263.db2.gz MOTBJKKJDGWRNU-JIMJEQGWSA-N 3 0 412.666 3.685 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000536828896 1012058515 /nfs/dbraw/zinc/05/85/15/1012058515.db2.gz SOAZDKYLLOCDQP-IRFCIJBXSA-N 2 0 415.603 3.546 20 0 HHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000536828796 1012058871 /nfs/dbraw/zinc/05/88/71/1012058871.db2.gz WLAZOUJITFZLMA-SFHVURJKSA-N 2 0 414.981 3.978 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057909 1012074255 /nfs/dbraw/zinc/07/42/55/1012074255.db2.gz MJTPEAVEYGAADN-XZOQPEGZSA-N 2 0 408.030 3.736 20 0 HHADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000552065571 1012082451 /nfs/dbraw/zinc/08/24/51/1012082451.db2.gz FUMWDRWNXKIXKT-WZONZLPQSA-N 2 0 412.574 3.690 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536858368 1012093297 /nfs/dbraw/zinc/09/32/97/1012093297.db2.gz OTMPHJOYPXWZME-OAQYLSRUSA-N 2 0 415.965 3.943 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000536863140 1012100214 /nfs/dbraw/zinc/10/02/14/1012100214.db2.gz MEBRRRUTZZIKRM-ROUUACIJSA-N 2 0 411.993 3.923 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Br ZINC000536865261 1012101723 /nfs/dbraw/zinc/10/17/23/1012101723.db2.gz VDLOHBPEHMWKBV-HNNXBMFYSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000536866391 1012103532 /nfs/dbraw/zinc/10/35/32/1012103532.db2.gz ZSRFWWGYJJLWIW-STSQHVNTSA-N 2 0 415.603 3.501 20 0 HHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)c3cccc(Br)c3)CC2)C1 ZINC000536869156 1012108416 /nfs/dbraw/zinc/10/84/16/1012108416.db2.gz IXZNTDGLMHSBMX-UZLBHIALSA-N 2 0 422.411 3.812 20 0 HHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552183630 1012197070 /nfs/dbraw/zinc/19/70/70/1012197070.db2.gz NEFHTTDKUDJQAO-HXUWFJFHSA-N 2 0 401.501 3.887 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000537000790 1012302452 /nfs/dbraw/zinc/30/24/52/1012302452.db2.gz SBDPHEUNTPYQNO-MRXNPFEDSA-N 2 0 421.994 3.550 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(CO)(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000552292077 1012302845 /nfs/dbraw/zinc/30/28/45/1012302845.db2.gz FHXAHWPECDXLPI-UHFFFAOYSA-N 2 0 407.602 3.743 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297621 1012309421 /nfs/dbraw/zinc/30/94/21/1012309421.db2.gz CKFFARKKXPNTCO-MNVIUDHYSA-N 2 0 408.546 3.667 20 0 HHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000537114982 1012491782 /nfs/dbraw/zinc/49/17/82/1012491782.db2.gz TYFOGDRCQMLQFA-HXUWFJFHSA-N 2 0 415.969 3.536 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904465 1012617382 /nfs/dbraw/zinc/61/73/82/1012617382.db2.gz VSQLBDAVTQBDLF-KZTDQWPFSA-N 2 0 406.574 3.957 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000523905348 1012619221 /nfs/dbraw/zinc/61/92/21/1012619221.db2.gz OOTKABPDPUYZPW-BKULYWANSA-N 2 0 415.626 3.588 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000523905347 1012619365 /nfs/dbraw/zinc/61/93/65/1012619365.db2.gz OOTKABPDPUYZPW-BGWNEDDSSA-N 2 0 415.626 3.588 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000523906932 1012622516 /nfs/dbraw/zinc/62/25/16/1012622516.db2.gz PVUOLHFQEHXPFC-FQEVSTJZSA-N 2 0 412.578 3.887 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000523910275 1012628304 /nfs/dbraw/zinc/62/83/04/1012628304.db2.gz HXPMNTCXCQCIHU-SFHVURJKSA-N 2 0 412.553 3.912 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939413 1012673656 /nfs/dbraw/zinc/67/36/56/1012673656.db2.gz MNKBMWJVMGBLIS-ZVDOUQERSA-N 2 0 404.599 3.782 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000541917953 1012776757 /nfs/dbraw/zinc/77/67/57/1012776757.db2.gz IWYPUPGLARFMNX-LPPUWEFUSA-N 3 0 407.602 3.644 20 0 HHADRP CCCn1c2ccccc2nc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000524114644 1012890544 /nfs/dbraw/zinc/89/05/44/1012890544.db2.gz HUDDVLSIMVZYDV-DEOSSOPVSA-N 2 0 405.590 3.915 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000524135942 1012922058 /nfs/dbraw/zinc/92/20/58/1012922058.db2.gz XTEZXUQUDJWIPQ-NZQKXSOJSA-N 2 0 400.611 3.803 20 0 HHADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421523 1071903570 /nfs/dbraw/zinc/90/35/70/1071903570.db2.gz LYJLUPDZJHCQLZ-ZEQRLZLVSA-N 2 0 412.622 3.947 20 0 HHADRP CC(C)(C)OC(=O)N1CC(N)=CC=C1C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168371453 1072018230 /nfs/dbraw/zinc/01/82/30/1072018230.db2.gz LRPAXRMTLIEKKV-UHFFFAOYSA-N 2 0 416.610 3.550 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(Br)c3Cl)CC2)CC1 ZINC001648993141 1072394250 /nfs/dbraw/zinc/39/42/50/1072394250.db2.gz XDZHGTSCHGCMJH-UHFFFAOYSA-N 2 0 400.792 3.751 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)CC1 ZINC001168305604 1072477167 /nfs/dbraw/zinc/47/71/67/1072477167.db2.gz PQLBREWINMTWLY-ABHNRTSZSA-N 2 0 400.394 3.657 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855771 1072477205 /nfs/dbraw/zinc/47/72/05/1072477205.db2.gz IKLGYNXASNRKQX-IRLDBZIGSA-N 2 0 400.611 3.708 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869374 1072492396 /nfs/dbraw/zinc/49/23/96/1072492396.db2.gz WREIZRVQQKSGQR-VXKWHMMOSA-N 2 0 412.578 3.874 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)CC1 ZINC001168313370 1072494754 /nfs/dbraw/zinc/49/47/54/1072494754.db2.gz ANDPFCMRCWLUKF-LBXVMSDZSA-N 2 0 401.542 3.827 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(C3=CC=C(N)CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001168315932 1072496697 /nfs/dbraw/zinc/49/66/97/1072496697.db2.gz RJYUJPMGVUOTHF-UHFFFAOYSA-N 2 0 404.599 3.548 20 0 HHADRP COc1cccc([C@H]2CC(=O)N(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000760537866 1072562368 /nfs/dbraw/zinc/56/23/68/1072562368.db2.gz KFZCPDKCKQNZBH-QFIPXVFZSA-N 2 0 422.573 3.602 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571328345 1072604211 /nfs/dbraw/zinc/60/42/11/1072604211.db2.gz LHSRQWAKACXPOP-PBHICJAKSA-N 2 0 409.596 3.579 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574768 1072661813 /nfs/dbraw/zinc/66/18/13/1072661813.db2.gz CIQJEUIEXKDYKC-YFNKSVMNSA-N 2 0 407.606 3.967 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709774 1073155347 /nfs/dbraw/zinc/15/53/47/1073155347.db2.gz DLLNLQTXJZFEMQ-CALCHBBNSA-N 2 0 400.485 3.949 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)C[C@H](C)O1 ZINC000588709932 1073155528 /nfs/dbraw/zinc/15/55/28/1073155528.db2.gz GHZBVHQYORPUTR-SFTDATJTSA-N 2 0 413.606 3.634 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710630 1073157101 /nfs/dbraw/zinc/15/71/01/1073157101.db2.gz KKVVEIRTLVANLV-BDTNDASRSA-N 2 0 415.622 3.633 20 0 HHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108752 1073196729 /nfs/dbraw/zinc/19/67/29/1073196729.db2.gz BRIIBJCXDBOFJS-RTWAWAEBSA-N 2 0 402.604 3.867 20 0 HHADRP CSC1(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[NH+](C)CC1 ZINC000555145103 1073198422 /nfs/dbraw/zinc/19/84/22/1073198422.db2.gz RKNZORVYAFYWIV-UHFFFAOYSA-N 2 0 418.651 3.689 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153011 1073205816 /nfs/dbraw/zinc/20/58/16/1073205816.db2.gz JKYHEAVWNWBJQZ-GOTSBHOMSA-N 2 0 400.611 3.566 20 0 HHADRP O=C(c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365248 1073258585 /nfs/dbraw/zinc/25/85/85/1073258585.db2.gz ONWKFNXHOKKREA-UHFFFAOYSA-N 2 0 409.496 3.774 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000555318695 1073330893 /nfs/dbraw/zinc/33/08/93/1073330893.db2.gz IBYMFFZLMFCROP-DBXWQHBBSA-N 2 0 402.966 3.826 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060530 1073535405 /nfs/dbraw/zinc/53/54/05/1073535405.db2.gz IXCFDMNOYMJCJV-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555617750 1073684329 /nfs/dbraw/zinc/68/43/29/1073684329.db2.gz QBSBIMHYZCMYCZ-OAQYLSRUSA-N 2 0 410.606 3.563 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000590350616 1073754938 /nfs/dbraw/zinc/75/49/38/1073754938.db2.gz GGQDGKFTSMRHCZ-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000555886251 1073927668 /nfs/dbraw/zinc/92/76/68/1073927668.db2.gz HISSAGCGERVIIZ-NRFANRHFSA-N 2 0 400.486 3.539 20 0 HHADRP c1cc([C@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926739 1074039752 /nfs/dbraw/zinc/03/97/52/1074039752.db2.gz OQIPEEKFDZPYPF-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591580911 1074424449 /nfs/dbraw/zinc/42/44/49/1074424449.db2.gz BPXBHVARWPCJPZ-PMACEKPBSA-N 2 0 404.624 3.620 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000591714393 1074479553 /nfs/dbraw/zinc/47/95/53/1074479553.db2.gz BZUISAXBKLJSBN-SFHVURJKSA-N 2 0 424.564 3.711 20 0 HHADRP Fc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)o2)cc1 ZINC000591698943 1074495388 /nfs/dbraw/zinc/49/53/88/1074495388.db2.gz OQNOUKAUBWGUEU-UHFFFAOYSA-N 2 0 409.509 3.568 20 0 HHADRP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1OC ZINC000573604647 1074566201 /nfs/dbraw/zinc/56/62/01/1074566201.db2.gz LTRLBVQJZORINN-UHFFFAOYSA-N 2 0 403.611 3.640 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1OC ZINC000594252339 1075271809 /nfs/dbraw/zinc/27/18/09/1075271809.db2.gz SDUXTTPLMDIISQ-FQEVSTJZSA-N 2 0 418.582 3.508 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000575165391 1075491892 /nfs/dbraw/zinc/49/18/92/1075491892.db2.gz JEKXWPYPKNHREL-UYAOXDASSA-N 2 0 406.640 3.893 20 0 HHADRP [NH3+][C@@]12C[C@@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164422464 718896097 /nfs/dbraw/zinc/89/60/97/718896097.db2.gz VKIAPLFXHFEYNF-FDDCHVKYSA-N 2 0 424.976 3.684 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819025 720194544 /nfs/dbraw/zinc/19/45/44/720194544.db2.gz VNHXYIDAFZOGEQ-ARNLJNQMSA-N 2 0 412.622 3.813 20 0 HHADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838133 720655756 /nfs/dbraw/zinc/65/57/56/720655756.db2.gz GAOAZRWYWPQHQC-OAQYLSRUSA-N 2 0 409.578 3.501 20 0 HHADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4[nH]ccc4c(C)[nH+]3)C2)C1 ZINC001164780779 721363462 /nfs/dbraw/zinc/36/34/62/721363462.db2.gz HIPXLEGWNYAEBJ-HSZRJFAPSA-N 2 0 409.534 3.595 20 0 HHADRP Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164792897 721490314 /nfs/dbraw/zinc/49/03/14/721490314.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 2 0 406.578 3.661 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023331 721798226 /nfs/dbraw/zinc/79/82/26/721798226.db2.gz JMVKOGLXRJVCGQ-NNWRFLSQSA-N 2 0 406.578 3.517 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165023255 721830527 /nfs/dbraw/zinc/83/05/27/721830527.db2.gz IKUTVQXIBBTPTN-NKKJXINNSA-N 2 0 405.590 3.809 20 0 HHADRP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966848 722062542 /nfs/dbraw/zinc/06/25/42/722062542.db2.gz XVGQKKILYLAFKI-UHFFFAOYSA-N 2 0 414.981 3.980 20 0 HHADRP CC(C)[NH+]1CCC(Nc2nc3cccnc3nc2NC2CC[NH+](C(C)C)CC2)CC1 ZINC000301610273 971001187 /nfs/dbraw/zinc/00/11/87/971001187.db2.gz CGBZZPGGBFRMEG-UHFFFAOYSA-N 2 0 411.598 3.594 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000542141200 1013075628 /nfs/dbraw/zinc/07/56/28/1013075628.db2.gz DNNXYKGWCMQJBN-SFHVURJKSA-N 2 0 409.530 3.576 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000303000333 971445662 /nfs/dbraw/zinc/44/56/62/971445662.db2.gz OCLCJESJAAAUAG-VWLOTQADSA-N 2 0 420.601 3.784 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)c2)CC1 ZINC000303154451 971531150 /nfs/dbraw/zinc/53/11/50/971531150.db2.gz GOSIBWMEXSNBIA-UHFFFAOYSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303211861 971563046 /nfs/dbraw/zinc/56/30/46/971563046.db2.gz OYFXEGAYAGWFKM-CQOQZXRMSA-N 2 0 414.638 3.608 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000303550582 971848009 /nfs/dbraw/zinc/84/80/09/971848009.db2.gz JNHVHJRLMVOUAK-LJQANCHMSA-N 2 0 402.583 3.784 20 0 HHADRP COc1ccc(CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccccc2)cc1 ZINC000303603387 971892941 /nfs/dbraw/zinc/89/29/41/971892941.db2.gz VIJXJMHBZHVCHO-UHFFFAOYSA-N 2 0 423.601 3.729 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177614 1013137612 /nfs/dbraw/zinc/13/76/12/1013137612.db2.gz JHKSBPXZBXWFCZ-GUDVDZBRSA-N 2 0 411.512 3.849 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Oc4cnccn4)cc3)CC2)CC1 ZINC000537619252 1013162331 /nfs/dbraw/zinc/16/23/31/1013162331.db2.gz AIJGISFTAJYLCY-UHFFFAOYSA-N 2 0 423.605 3.897 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cncc(Br)c2)CC1 ZINC000542253325 1013213466 /nfs/dbraw/zinc/21/34/66/1013213466.db2.gz MESWHDWFUYLRCI-HNNXBMFYSA-N 2 0 421.358 3.976 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)C1 ZINC000553314366 1013267649 /nfs/dbraw/zinc/26/76/49/1013267649.db2.gz IKXLSKFPLJGEPS-XXBNENTESA-N 2 0 415.647 3.752 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)C1 ZINC000553314365 1013267754 /nfs/dbraw/zinc/26/77/54/1013267754.db2.gz IKXLSKFPLJGEPS-WMZHIEFXSA-N 2 0 415.647 3.752 20 0 HHADRP Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316192 1013272900 /nfs/dbraw/zinc/27/29/00/1013272900.db2.gz PXOVGQLMDAAJSR-XUZZJYLKSA-N 2 0 405.586 3.954 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000553386066 1013318441 /nfs/dbraw/zinc/31/84/41/1013318441.db2.gz PFENPGJRJUOQMC-DEOSSOPVSA-N 2 0 421.585 3.546 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000542367371 1013322644 /nfs/dbraw/zinc/32/26/44/1013322644.db2.gz OYLSXKIFQTXSFW-FQEVSTJZSA-N 2 0 404.603 3.577 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000537808771 1013370693 /nfs/dbraw/zinc/37/06/93/1013370693.db2.gz DGEUFUGATUJSPV-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP C[N@@H+](CCC(=O)N1CCc2sccc2C1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843413 1013405575 /nfs/dbraw/zinc/40/55/75/1013405575.db2.gz QAWVMXQVJFGKIH-UHFFFAOYSA-N 2 0 412.603 3.656 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000542473318 1013421082 /nfs/dbraw/zinc/42/10/82/1013421082.db2.gz HNXVJYDVBKOJIG-KBMIEXCESA-N 2 0 406.549 3.936 20 0 HHADRP Fc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476025 1013423502 /nfs/dbraw/zinc/42/35/02/1013423502.db2.gz SEDVCIYXVQKJHY-DEOSSOPVSA-N 2 0 405.521 3.507 20 0 HHADRP C[NH+](C)CCOc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000542515801 1013459292 /nfs/dbraw/zinc/45/92/92/1013459292.db2.gz KTVCBRFBNPSYGY-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000048717149 964038255 /nfs/dbraw/zinc/03/82/55/964038255.db2.gz GFWUKKLBOGIJFA-UHFFFAOYSA-N 2 0 414.500 3.998 20 0 HHADRP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000048816563 964064529 /nfs/dbraw/zinc/06/45/29/964064529.db2.gz AGIOIUBBUNKCBB-HDICACEKSA-N 2 0 414.546 3.611 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050137762 964275038 /nfs/dbraw/zinc/27/50/38/964275038.db2.gz WAKVWZOWWLOUSN-UXHICEINSA-N 2 0 406.640 3.914 20 0 HHADRP C[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681504 1013543017 /nfs/dbraw/zinc/54/30/17/1013543017.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 2 0 412.578 3.654 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057174311 965326257 /nfs/dbraw/zinc/32/62/57/965326257.db2.gz QZHUYBYCRMVUPH-DEOSSOPVSA-N 2 0 405.586 3.988 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054037543 965366647 /nfs/dbraw/zinc/36/66/47/965366647.db2.gz XZIBYAFCGVUIKX-JOCHJYFZSA-N 2 0 410.562 3.770 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000029694586 965461476 /nfs/dbraw/zinc/46/14/76/965461476.db2.gz NGYCPRMYHRAFAQ-GOSISDBHSA-N 2 0 408.546 3.748 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000030665164 965760473 /nfs/dbraw/zinc/76/04/73/965760473.db2.gz FTOOAAXPJYYRHE-HSZRJFAPSA-N 2 0 421.589 3.802 20 0 HHADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000058525445 965769081 /nfs/dbraw/zinc/76/90/81/965769081.db2.gz ISJGOJZTQCEHDD-DEOSSOPVSA-N 2 0 421.585 3.614 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940236 /nfs/dbraw/zinc/94/02/36/965940236.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 2 0 401.570 3.902 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951598 966045154 /nfs/dbraw/zinc/04/51/54/966045154.db2.gz JQHJMCZUVWFZAI-BJKOFHAPSA-N 2 0 409.574 3.859 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000060545048 966197798 /nfs/dbraw/zinc/19/77/98/966197798.db2.gz UKRVJQUHRNLVSX-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058159 1013634824 /nfs/dbraw/zinc/63/48/24/1013634824.db2.gz RNJNRUKJNAVHMK-ZWKOTPCHSA-N 2 0 401.576 3.559 20 0 HHADRP CCOc1c(Cl)cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000060833600 966303327 /nfs/dbraw/zinc/30/33/27/966303327.db2.gz VJSPEHSSKHRFDK-UHFFFAOYSA-N 2 0 417.981 3.655 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+]2CCCCC2)cc1 ZINC000061076951 966367237 /nfs/dbraw/zinc/36/72/37/966367237.db2.gz VPIIFODGWFDMEV-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000056792173 966465757 /nfs/dbraw/zinc/46/57/57/966465757.db2.gz MZTQNXHQKOFFGV-NRFANRHFSA-N 2 0 416.541 3.719 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000061550710 966497184 /nfs/dbraw/zinc/49/71/84/966497184.db2.gz GIXXWYRJHIIDFE-UHFFFAOYSA-N 2 0 408.590 3.776 20 0 HHADRP O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793351 966557708 /nfs/dbraw/zinc/55/77/08/966557708.db2.gz YJTQDLLTELPSMP-UHFFFAOYSA-N 2 0 404.624 3.666 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000061868711 966568338 /nfs/dbraw/zinc/56/83/38/966568338.db2.gz XWHOPDCIYWIGAG-HXUWFJFHSA-N 2 0 408.590 3.980 20 0 HHADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754941 1013661971 /nfs/dbraw/zinc/66/19/71/1013661971.db2.gz IXIYLYACTNMSOA-MJGOQNOKSA-N 2 0 414.516 3.681 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000062428955 966674412 /nfs/dbraw/zinc/67/44/12/966674412.db2.gz YIBUZBYRQUFECW-OAQYLSRUSA-N 2 0 413.566 3.544 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000062474440 966682928 /nfs/dbraw/zinc/68/29/28/966682928.db2.gz SFGGDBUQPNEDJB-OAQYLSRUSA-N 2 0 416.541 3.719 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000062649619 966721813 /nfs/dbraw/zinc/72/18/13/966721813.db2.gz OLPWJXREFNDXPD-XMMPIXPASA-N 2 0 420.601 3.862 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000538115328 1013677258 /nfs/dbraw/zinc/67/72/58/1013677258.db2.gz QZGFYYBIHCEHRQ-FQEVSTJZSA-N 2 0 416.363 3.518 20 0 HHADRP CCC1(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000538116094 1013677278 /nfs/dbraw/zinc/67/72/78/1013677278.db2.gz DTAROSBIBLJLAR-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP CCCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441641 966858413 /nfs/dbraw/zinc/85/84/13/966858413.db2.gz BVAPERHLXSRKBR-UHFFFAOYSA-O 2 0 416.636 3.919 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000063464429 966867575 /nfs/dbraw/zinc/86/75/75/966867575.db2.gz KJMXHRATBGIEQY-CTNGQTDRSA-N 2 0 400.592 3.562 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553895440 1013683023 /nfs/dbraw/zinc/68/30/23/1013683023.db2.gz KIASNDDOLLNPLD-VWLOTQADSA-N 2 0 412.622 3.950 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c(C)c2)CC1 ZINC000043521996 966990893 /nfs/dbraw/zinc/99/08/93/966990893.db2.gz GGNHWQUDZJCGBN-NRFANRHFSA-N 2 0 415.607 3.623 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000043522920 966991848 /nfs/dbraw/zinc/99/18/48/966991848.db2.gz RNUBXIDOINSPED-UHFFFAOYSA-N 2 0 401.599 3.525 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000043800712 967036666 /nfs/dbraw/zinc/03/66/66/967036666.db2.gz XNZXZXMKASGMHF-HSZRJFAPSA-N 2 0 409.578 3.643 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542830219 1013695757 /nfs/dbraw/zinc/69/57/57/1013695757.db2.gz WRJRGDVYSMYONG-YRISNDGFSA-N 2 0 407.002 3.895 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844328 1013703994 /nfs/dbraw/zinc/70/39/94/1013703994.db2.gz RIBXIMPOQWCISN-KNQAVFIVSA-N 2 0 411.521 3.527 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848722 1013707127 /nfs/dbraw/zinc/70/71/27/1013707127.db2.gz AYGYBKIWHFLYSD-NTKDMRAZSA-N 2 0 407.558 3.621 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045193204 967376571 /nfs/dbraw/zinc/37/65/71/967376571.db2.gz ZDSVVXXGBKSVLR-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000065518571 967503377 /nfs/dbraw/zinc/50/33/77/967503377.db2.gz KSNWOOSSWMWSBY-ZJSXRUAMSA-N 2 0 424.589 3.509 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000065522183 967505563 /nfs/dbraw/zinc/50/55/63/967505563.db2.gz SDCMFQUBXJBBGR-HJNYFJLDSA-N 2 0 410.562 3.941 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000045757759 967548376 /nfs/dbraw/zinc/54/83/76/967548376.db2.gz MPQRDXRIKNTOBX-FQEVSTJZSA-N 2 0 400.611 3.771 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)CC1 ZINC000045777345 967550615 /nfs/dbraw/zinc/55/06/15/967550615.db2.gz RRRMBOQQQKFPOW-UHFFFAOYSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)C1 ZINC000045788075 967552490 /nfs/dbraw/zinc/55/24/90/967552490.db2.gz WNZURWPKTLPDIM-OAQYLSRUSA-N 2 0 412.622 3.936 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)c2)CC1 ZINC000047373282 968162522 /nfs/dbraw/zinc/16/25/22/968162522.db2.gz ZWTABKLRNXJAHD-UHFFFAOYSA-N 2 0 413.610 3.619 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000554111710 1013802977 /nfs/dbraw/zinc/80/29/77/1013802977.db2.gz AZRNLKVPADGQGX-GBXCKJPGSA-N 2 0 423.605 3.950 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065931435 968721623 /nfs/dbraw/zinc/72/16/23/968721623.db2.gz PACSTXYNQIKODP-NRFANRHFSA-N 2 0 415.528 3.767 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000071919685 968889782 /nfs/dbraw/zinc/88/97/82/968889782.db2.gz QMXLEQNZNWBPTF-XJUOHMSHSA-N 2 0 400.611 3.881 20 0 HHADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097327 968990351 /nfs/dbraw/zinc/99/03/51/968990351.db2.gz LTNCDACCKOJZCD-SFHVURJKSA-N 2 0 409.530 3.586 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2F)CC1 ZINC000097545715 969155117 /nfs/dbraw/zinc/15/51/17/969155117.db2.gz XINUSMNMWFGCGP-XMMPIXPASA-N 2 0 424.564 3.959 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000108413408 969380952 /nfs/dbraw/zinc/38/09/52/969380952.db2.gz LEHDEXBXUFEGPD-HXUWFJFHSA-N 2 0 418.582 3.798 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109015964 969449855 /nfs/dbraw/zinc/44/98/55/969449855.db2.gz NNKBPNGIGDJTSU-ISKFKSNPSA-N 2 0 409.549 3.991 20 0 HHADRP c1ccc2nc(N3CCOCC3)c(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2c1 ZINC000139374969 970030554 /nfs/dbraw/zinc/03/05/54/970030554.db2.gz HIIZQLVPCPUROT-UHFFFAOYSA-N 2 0 416.569 3.957 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000236798911 970173170 /nfs/dbraw/zinc/17/31/70/970173170.db2.gz GZJKOSIRLLWDJS-UHFFFAOYSA-N 2 0 414.638 3.735 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000236814222 970175450 /nfs/dbraw/zinc/17/54/50/970175450.db2.gz ZHWLWIMJRICCMW-UHFFFAOYSA-N 2 0 415.965 3.933 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236840751 970179223 /nfs/dbraw/zinc/17/92/23/970179223.db2.gz GWKFFWQHAATJGQ-HXUWFJFHSA-N 2 0 423.630 3.964 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236840392 970179541 /nfs/dbraw/zinc/17/95/41/970179541.db2.gz GEPDKPDKQPWVKT-OAQYLSRUSA-N 2 0 409.622 3.588 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000236850846 970180412 /nfs/dbraw/zinc/18/04/12/970180412.db2.gz ABOOWOUFNNHYNC-MRXNPFEDSA-N 2 0 415.509 3.556 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000236943845 970191957 /nfs/dbraw/zinc/19/19/57/970191957.db2.gz JUWXRFFPFMQDEJ-UHFFFAOYSA-N 2 0 404.002 3.568 20 0 HHADRP CCc1nn(C)c(Cl)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237058748 970215449 /nfs/dbraw/zinc/21/54/49/970215449.db2.gz NIBSJDFUNMRZCW-UHFFFAOYSA-N 2 0 404.002 3.636 20 0 HHADRP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237104995 970223117 /nfs/dbraw/zinc/22/31/17/970223117.db2.gz DRRLMQBVFDVUJR-NRFANRHFSA-N 2 0 417.601 3.827 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237171880 970235082 /nfs/dbraw/zinc/23/50/82/970235082.db2.gz OIHBXZGDXJPHEH-UHFFFAOYSA-N 2 0 424.420 3.664 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000237173447 970235917 /nfs/dbraw/zinc/23/59/17/970235917.db2.gz RXFHWIBGRKRTCD-UHFFFAOYSA-N 2 0 412.525 3.946 20 0 HHADRP COc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237208777 970242224 /nfs/dbraw/zinc/24/22/24/970242224.db2.gz HIUICNAGEFUGQR-GOSISDBHSA-N 2 0 417.981 3.653 20 0 HHADRP COc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237216481 970242968 /nfs/dbraw/zinc/24/29/68/970242968.db2.gz JKCZCSBLFNINRC-GOSISDBHSA-N 2 0 417.981 3.653 20 0 HHADRP COc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OCc1ccccc1 ZINC000237354715 970269011 /nfs/dbraw/zinc/26/90/11/970269011.db2.gz YYIBLZYLDYKQLV-UHFFFAOYSA-N 2 0 423.601 3.922 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237377613 970273764 /nfs/dbraw/zinc/27/37/64/970273764.db2.gz SUVPUNQSQVDETC-OALUTQOASA-N 2 0 420.557 3.984 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)N1CC[NH+](C)CC1 ZINC000237410520 970280144 /nfs/dbraw/zinc/28/01/44/970280144.db2.gz BRFJTHSKVZDQMS-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000237419494 970281615 /nfs/dbraw/zinc/28/16/15/970281615.db2.gz IKOUHNJVHQRWIQ-FQEVSTJZSA-N 2 0 421.564 3.712 20 0 HHADRP C[C@@H](C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CN1CC[NH+](C)CC1 ZINC000237431240 970284495 /nfs/dbraw/zinc/28/44/95/970284495.db2.gz QVZFSBAWEHEZQL-HNNXBMFYSA-N 2 0 412.525 3.802 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540717 1013973955 /nfs/dbraw/zinc/97/39/55/1013973955.db2.gz FMGXGZHMWJYQCE-AKIFATBCSA-N 2 0 406.574 3.514 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237519392 970306677 /nfs/dbraw/zinc/30/66/77/970306677.db2.gz BRHZKSZUKFOXOM-NRFANRHFSA-N 2 0 405.586 3.999 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000237525678 970307754 /nfs/dbraw/zinc/30/77/54/970307754.db2.gz QUQMYBUXAPNVON-OAQYLSRUSA-N 2 0 405.586 3.856 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000237589703 970317925 /nfs/dbraw/zinc/31/79/25/970317925.db2.gz WMWVKMKVLAWZTO-LJQANCHMSA-N 2 0 423.992 3.918 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)CN1CC[NH+](C)CC1 ZINC000237588151 970318051 /nfs/dbraw/zinc/31/80/51/970318051.db2.gz SBMMFWBJBCCTIG-HXUWFJFHSA-N 2 0 423.630 3.633 20 0 HHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000237587622 970318341 /nfs/dbraw/zinc/31/83/41/970318341.db2.gz ZSWYDVBZGNQIFB-JOCHJYFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H](C)O1 ZINC000237611022 970322501 /nfs/dbraw/zinc/32/25/01/970322501.db2.gz UUPLKQTWEOJHMT-HOTGVXAUSA-N 2 0 421.383 3.818 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237675330 970336902 /nfs/dbraw/zinc/33/69/02/970336902.db2.gz QRHOAWBUOZRAGI-UHFFFAOYSA-N 2 0 405.464 3.821 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000237746291 970353485 /nfs/dbraw/zinc/35/34/85/970353485.db2.gz HYNUOHVIIHPFSC-UHFFFAOYSA-N 2 0 421.463 3.701 20 0 HHADRP Cn1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000237758251 970356129 /nfs/dbraw/zinc/35/61/29/970356129.db2.gz WYRQCJLCNQJSGU-UHFFFAOYSA-N 2 0 419.573 3.643 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774439 970363481 /nfs/dbraw/zinc/36/34/81/970363481.db2.gz OUIXNCSCYFOAKB-HOTGVXAUSA-N 2 0 403.548 3.518 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC000237934265 970398131 /nfs/dbraw/zinc/39/81/31/970398131.db2.gz KSVSMCIEUZZRBW-IBGZPJMESA-N 2 0 421.463 3.572 20 0 HHADRP COc1c(Br)cc(Br)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392273679 972851480 /nfs/dbraw/zinc/85/14/80/972851480.db2.gz FGUXSKSBNBQHOM-UHFFFAOYSA-N 2 0 404.146 3.572 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000398164275 972876794 /nfs/dbraw/zinc/87/67/94/972876794.db2.gz SRXLERZEWMWTEX-HBGVWJBISA-N 2 0 403.364 3.983 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410286954 973814187 /nfs/dbraw/zinc/81/41/87/973814187.db2.gz ISHSQXRAEMPXER-QHCPKHFHSA-N 2 0 424.589 3.813 20 0 HHADRP C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000410398951 973998084 /nfs/dbraw/zinc/99/80/84/973998084.db2.gz NASFLNDXEKSSLM-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000410401618 974001473 /nfs/dbraw/zinc/00/14/73/974001473.db2.gz PVKRRAOUQWNDFE-UHFFFAOYSA-N 2 0 416.610 3.615 20 0 HHADRP COc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066695 /nfs/dbraw/zinc/06/66/95/974066695.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 0 419.363 3.527 20 0 HHADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977048 974086989 /nfs/dbraw/zinc/08/69/89/974086989.db2.gz JBPAXGJYWPKHMD-MJGOQNOKSA-N 2 0 414.516 3.613 20 0 HHADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426813955 974680040 /nfs/dbraw/zinc/68/00/40/974680040.db2.gz AXWQEWURLWSFMJ-VAMGGRTRSA-N 2 0 424.589 3.773 20 0 HHADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426826903 974691850 /nfs/dbraw/zinc/69/18/50/974691850.db2.gz QIKBDCCHEZAQBL-CMOCDZPBSA-N 2 0 415.622 3.772 20 0 HHADRP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674023 975233957 /nfs/dbraw/zinc/23/39/57/975233957.db2.gz YRNVGJIQGBTYQN-XJUOHMSHSA-N 2 0 418.622 3.761 20 0 HHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1Cl ZINC000428398511 975718718 /nfs/dbraw/zinc/71/87/18/975718718.db2.gz FULZZNDUMLNXHQ-CALCHBBNSA-N 2 0 423.001 3.613 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4c(Br)cccc34)C2)CC1 ZINC000429042072 976327429 /nfs/dbraw/zinc/32/74/29/976327429.db2.gz CZXQNBDDYOBISC-GOSISDBHSA-N 2 0 402.380 3.814 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000429068007 976353560 /nfs/dbraw/zinc/35/35/60/976353560.db2.gz BHTAPUNCWHYUDQ-REHUZNOOSA-N 2 0 421.589 3.742 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1Br ZINC000429448005 976725099 /nfs/dbraw/zinc/72/50/99/976725099.db2.gz SSPYDUREZFVGTP-KRWDZBQOSA-N 2 0 409.412 3.987 20 0 HHADRP COc1ccccc1-c1ncc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000430067670 977306276 /nfs/dbraw/zinc/30/62/76/977306276.db2.gz UNMJEHWTQFEICU-UHFFFAOYSA-N 2 0 403.530 3.896 20 0 HHADRP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430916922 977884528 /nfs/dbraw/zinc/88/45/28/977884528.db2.gz XDSIIAKKNDAIQC-UHFFFAOYSA-N 2 0 421.029 3.715 20 0 HHADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000430947261 977907963 /nfs/dbraw/zinc/90/79/63/977907963.db2.gz AGQYGEKJOQIOCZ-IBGZPJMESA-N 2 0 418.601 3.589 20 0 HHADRP Cc1ccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000431192177 978085912 /nfs/dbraw/zinc/08/59/12/978085912.db2.gz MBSLDUHVWFMCOO-UHFFFAOYSA-N 2 0 404.599 3.815 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286238 978172445 /nfs/dbraw/zinc/17/24/45/978172445.db2.gz XDSUHRBTKNNRQP-VXKWHMMOSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431672887 978426927 /nfs/dbraw/zinc/42/69/27/978426927.db2.gz JLLAAEMJMFZAGT-SXSPYAJSSA-N 2 0 412.553 3.781 20 0 HHADRP CC1(C)CC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC(C)(C)[NH2+]1 ZINC000431773808 978502043 /nfs/dbraw/zinc/50/20/43/978502043.db2.gz COXBCGDQTNTHJG-UHFFFAOYSA-N 2 0 412.622 3.993 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431922377 978603006 /nfs/dbraw/zinc/60/30/06/978603006.db2.gz JHSMFHBXUKQSQM-VWLOTQADSA-N 2 0 422.617 3.706 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431968979 978622812 /nfs/dbraw/zinc/62/28/12/978622812.db2.gz CPCAHGDLDOMUOQ-QFIPXVFZSA-N 2 0 410.606 3.701 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000432688852 978937344 /nfs/dbraw/zinc/93/73/44/978937344.db2.gz FWHILSQULUZYOB-IBGZPJMESA-N 2 0 402.583 3.745 20 0 HHADRP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432785806 978973907 /nfs/dbraw/zinc/97/39/07/978973907.db2.gz NAMKYOHPTAEDOS-DNQXCXABSA-N 2 0 416.654 3.527 20 0 HHADRP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051985 979052954 /nfs/dbraw/zinc/05/29/54/979052954.db2.gz JMCNKUFJLCSTQH-HXUWFJFHSA-N 2 0 411.615 3.783 20 0 HHADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433072430 979058581 /nfs/dbraw/zinc/05/85/81/979058581.db2.gz BRNXYJPUUGKZDX-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000433186580 979127849 /nfs/dbraw/zinc/12/78/49/979127849.db2.gz FLCHTOKRFVVIDI-HXUWFJFHSA-N 2 0 423.523 3.775 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194302 979132823 /nfs/dbraw/zinc/13/28/23/979132823.db2.gz VTAVGYKLNHILDW-OAQYLSRUSA-N 2 0 421.585 3.861 20 0 HHADRP CC(CC(=O)Nc1cccc(C[NH+](C)C)c1)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000435545985 980933803 /nfs/dbraw/zinc/93/38/03/980933803.db2.gz NSLOMWMNNXNFER-UHFFFAOYSA-N 2 0 410.562 3.803 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000448203201 981615433 /nfs/dbraw/zinc/61/54/33/981615433.db2.gz HNVVVJJQBVRKHO-XALAGWIPSA-N 2 0 412.622 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210963 981624853 /nfs/dbraw/zinc/62/48/53/981624853.db2.gz DVAOOSSXJHFKGD-MDNUFGMLSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211653 981625429 /nfs/dbraw/zinc/62/54/29/981625429.db2.gz HTNARSARNMKQHO-WOJBJXKFSA-N 2 0 406.640 3.627 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448212812 981627054 /nfs/dbraw/zinc/62/70/54/981627054.db2.gz LYIHINVPFUMVQI-YJRNTSOCSA-N 2 0 410.606 3.698 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000448217450 981631908 /nfs/dbraw/zinc/63/19/08/981631908.db2.gz MIJUZLYIJQGLLG-OAQYLSRUSA-N 2 0 400.611 3.627 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000448400994 981754303 /nfs/dbraw/zinc/75/43/03/981754303.db2.gz BVDJJDMFKOTTOO-OAQYLSRUSA-N 2 0 418.651 3.767 20 0 HHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(N(C)c4ccccc4)nc3)CC2)CC1 ZINC000437145038 981794626 /nfs/dbraw/zinc/79/46/26/981794626.db2.gz XMNXTLFNMGEPDZ-UHFFFAOYSA-N 2 0 407.606 3.840 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448461672 981795300 /nfs/dbraw/zinc/79/53/00/981795300.db2.gz NCHDRFHOITUJEY-WTIAFYNJSA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000448461685 981795334 /nfs/dbraw/zinc/79/53/34/981795334.db2.gz NGBYUQGICAQBLX-DYESRHJHSA-N 2 0 407.002 3.676 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H](C)C1 ZINC000448464802 981798940 /nfs/dbraw/zinc/79/89/40/981798940.db2.gz GBZSIBCAHYRBRP-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000448468166 981805427 /nfs/dbraw/zinc/80/54/27/981805427.db2.gz UMYRMALVNNXQIA-NFBKMPQASA-N 2 0 400.611 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000448468206 981805631 /nfs/dbraw/zinc/80/56/31/981805631.db2.gz UQFIZKOPMBOCRY-SBHAEUEKSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472120 981813655 /nfs/dbraw/zinc/81/36/55/981813655.db2.gz NNRRTMNVLASYNP-PKTZIBPZSA-N 2 0 400.611 3.518 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475854 981818130 /nfs/dbraw/zinc/81/81/30/981818130.db2.gz WSIMCWXPAFJXGA-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000460338291 982110540 /nfs/dbraw/zinc/11/05/40/982110540.db2.gz IXAUJBJJNBASIU-GMAHTHKFSA-N 2 0 424.564 3.551 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460387080 982166831 /nfs/dbraw/zinc/16/68/31/982166831.db2.gz OEGBBZJDPLKOLK-TZRRMPRUSA-N 2 0 412.622 3.518 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000438091652 982582847 /nfs/dbraw/zinc/58/28/47/982582847.db2.gz CGUJSSUCHYKXKJ-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000461006856 982720542 /nfs/dbraw/zinc/72/05/42/982720542.db2.gz JLMWMKHTMKGQFW-FCJDFRRUSA-N 2 0 424.589 3.872 20 0 HHADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(Cl)c1F ZINC000461095648 982789425 /nfs/dbraw/zinc/78/94/25/982789425.db2.gz RJKSZCXEJVXZHK-IBGZPJMESA-N 2 0 405.949 3.912 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454175 983120582 /nfs/dbraw/zinc/12/05/82/983120582.db2.gz GMTWVMDEMMYLDM-JLZPKONASA-N 2 0 417.597 3.735 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076105 983238876 /nfs/dbraw/zinc/23/88/76/983238876.db2.gz HABMZMZRPQFFDK-JOCHJYFZSA-N 2 0 415.626 3.769 20 0 HHADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000439229568 983319846 /nfs/dbraw/zinc/31/98/46/983319846.db2.gz NNDHNRAZKGMBTR-KNQAVFIVSA-N 2 0 401.595 3.559 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287994 983346679 /nfs/dbraw/zinc/34/66/79/983346679.db2.gz YKKMUFLTVHEXAM-AQNXPRMDSA-N 2 0 424.511 3.548 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000440138105 983657029 /nfs/dbraw/zinc/65/70/29/983657029.db2.gz VIMIWNLDFXVBNV-JOCHJYFZSA-N 2 0 412.578 3.847 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000440185472 983674335 /nfs/dbraw/zinc/67/43/35/983674335.db2.gz JJDVVHYCUYFBDI-REWPJTCUSA-N 2 0 415.626 3.807 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440194755 983678221 /nfs/dbraw/zinc/67/82/21/983678221.db2.gz ZYFDRENPJFOWMU-QHCPKHFHSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440278908 983704954 /nfs/dbraw/zinc/70/49/54/983704954.db2.gz FPYMRBQUNGUJAH-XMMPIXPASA-N 2 0 413.606 3.581 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000440769833 983898600 /nfs/dbraw/zinc/89/86/00/983898600.db2.gz FYQDBNIJEBYKMH-XMSQKQJNSA-N 2 0 406.574 3.840 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000440769830 983898741 /nfs/dbraw/zinc/89/87/41/983898741.db2.gz FYQDBNIJEBYKMH-AVRDEDQJSA-N 2 0 406.574 3.840 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000440872756 983945329 /nfs/dbraw/zinc/94/53/29/983945329.db2.gz GYTNHZZDGONREQ-QETWGEEDSA-N 2 0 416.610 3.642 20 0 HHADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243492 984134387 /nfs/dbraw/zinc/13/43/87/984134387.db2.gz JDMHNVMGTAFCMG-BTYIYWSLSA-N 2 0 409.496 3.831 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000441518213 984299286 /nfs/dbraw/zinc/29/92/86/984299286.db2.gz SHRQIQJTXVNDHY-FBPXKMNZSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000462120386 985090295 /nfs/dbraw/zinc/09/02/95/985090295.db2.gz JISVOXUVBMHKEW-IBGZPJMESA-N 2 0 401.545 3.592 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1c(F)cccc1Cl ZINC000462123428 985092560 /nfs/dbraw/zinc/09/25/60/985092560.db2.gz WQALJQQJKVRMOF-LJQANCHMSA-N 2 0 404.957 3.927 20 0 HHADRP CCC[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000462512446 985463184 /nfs/dbraw/zinc/46/31/84/985463184.db2.gz PYNGPKJHKXAXAH-OAQYLSRUSA-N 2 0 418.651 3.510 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524627 985474768 /nfs/dbraw/zinc/47/47/68/985474768.db2.gz WQNCHMAUVCWVSS-OFVILXPXSA-N 2 0 420.601 3.513 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468001371 985650742 /nfs/dbraw/zinc/65/07/42/985650742.db2.gz BGLIDDNBDMIGHI-MQSCRBSSSA-N 2 0 400.611 3.879 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714188 985660834 /nfs/dbraw/zinc/66/08/34/985660834.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 2 0 420.601 3.717 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000462746903 985687986 /nfs/dbraw/zinc/68/79/86/985687986.db2.gz VJVKFEVWDKRXTF-MZYLBHOOSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751022 985692366 /nfs/dbraw/zinc/69/23/66/985692366.db2.gz STFNPJPPSPSYMV-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015029 985970405 /nfs/dbraw/zinc/97/04/05/985970405.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 2 0 420.601 3.670 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)c2)C1 ZINC000468429571 986127759 /nfs/dbraw/zinc/12/77/59/986127759.db2.gz QCKOMILIRVIWLB-UBFVSLLYSA-N 2 0 405.586 3.885 20 0 HHADRP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000463239055 986207106 /nfs/dbraw/zinc/20/71/06/986207106.db2.gz TZHOBZSUSHNNMC-QILAJZQNSA-N 3 0 410.650 3.722 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894058 /nfs/dbraw/zinc/89/40/58/986894058.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 2 0 410.606 3.844 20 0 HHADRP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000469217417 986940405 /nfs/dbraw/zinc/94/04/05/986940405.db2.gz HGTWGQONUQSNFU-MWXLCCTBSA-N 2 0 401.595 3.966 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444989389 987117632 /nfs/dbraw/zinc/11/76/32/987117632.db2.gz RWEYNONMJHNFLP-LADGPHEKSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)c1nc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000469787595 987432967 /nfs/dbraw/zinc/43/29/67/987432967.db2.gz QATWPUDFXUZPPW-KRWDZBQOSA-N 2 0 400.592 3.943 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000445808708 987868152 /nfs/dbraw/zinc/86/81/52/987868152.db2.gz CPPBUUBTLRWVKW-UHFFFAOYSA-N 2 0 417.363 3.790 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463956189 988067890 /nfs/dbraw/zinc/06/78/90/988067890.db2.gz XQOXNINHYXFBQB-AZUAARDMSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000470165387 988078173 /nfs/dbraw/zinc/07/81/73/988078173.db2.gz JNYYMUGEPVUAKO-WMLDXEAASA-N 2 0 402.505 3.584 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470166749 988080389 /nfs/dbraw/zinc/08/03/89/988080389.db2.gz XUSJHEXQYANTEQ-LJQANCHMSA-N 2 0 414.516 3.729 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281504 988236473 /nfs/dbraw/zinc/23/64/73/988236473.db2.gz YJUKZMQLBHQPPF-MOPGFXCFSA-N 2 0 414.516 3.824 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@H](C)C1 ZINC000470287090 988243676 /nfs/dbraw/zinc/24/36/76/988243676.db2.gz YBNYAECXPMJPBS-AYOQOUSVSA-N 2 0 414.516 3.680 20 0 HHADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000470495474 988488840 /nfs/dbraw/zinc/48/88/40/988488840.db2.gz HYUBKBATDYVTKS-NRFANRHFSA-N 2 0 421.585 3.644 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518976 988517793 /nfs/dbraw/zinc/51/77/93/988517793.db2.gz BKISCGVRXYNVRL-JOCHJYFZSA-N 2 0 420.601 3.565 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735567 988770526 /nfs/dbraw/zinc/77/05/26/988770526.db2.gz CEDQSJRHVMYMDN-RBBKRZOGSA-N 2 0 412.622 3.792 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470886613 988958631 /nfs/dbraw/zinc/95/86/31/988958631.db2.gz UCQWYVCSRRNHTF-HXUWFJFHSA-N 2 0 419.013 3.679 20 0 HHADRP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898294 988971906 /nfs/dbraw/zinc/97/19/06/988971906.db2.gz CQWYLBQATCASHO-QFIPXVFZSA-N 2 0 412.553 3.693 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000464829522 989068914 /nfs/dbraw/zinc/06/89/14/989068914.db2.gz OLIAGGQIRZDUCM-QHCPKHFHSA-N 2 0 400.611 3.696 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)CC1 ZINC000464880455 989143772 /nfs/dbraw/zinc/14/37/72/989143772.db2.gz XTLOOJQUWJNCNV-DEOSSOPVSA-N 2 0 413.606 3.603 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511845 989710255 /nfs/dbraw/zinc/71/02/55/989710255.db2.gz UPSKMTFBJPEMNP-BHIFYINESA-N 2 0 424.614 3.658 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000465413993 989759921 /nfs/dbraw/zinc/75/99/21/989759921.db2.gz UDEJXJZUUQVDAT-NHCUHLMSSA-N 2 0 414.619 3.904 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000465420506 989766037 /nfs/dbraw/zinc/76/60/37/989766037.db2.gz IOXSIXFIPMCKOE-FQEVSTJZSA-N 2 0 406.640 3.942 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000465423897 989767792 /nfs/dbraw/zinc/76/77/92/989767792.db2.gz AWYCHIVIWOFIEN-NFBKMPQASA-N 2 0 412.553 3.592 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777493 /nfs/dbraw/zinc/77/74/93/989777493.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 2 0 412.603 3.705 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000471581843 989785891 /nfs/dbraw/zinc/78/58/91/989785891.db2.gz RBVRRNBNSYJQBF-YLJYHZDGSA-N 2 0 414.619 3.812 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000465450527 989790606 /nfs/dbraw/zinc/79/06/06/989790606.db2.gz ALZXBRSYOIFGDG-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598683 989801772 /nfs/dbraw/zinc/80/17/72/989801772.db2.gz LRQSDICNEGRMQZ-LADGPHEKSA-N 2 0 406.574 3.645 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000471609930 989814611 /nfs/dbraw/zinc/81/46/11/989814611.db2.gz DUVCNMSBHQYDKH-ACJLOTCBSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000471611244 989815418 /nfs/dbraw/zinc/81/54/18/989815418.db2.gz BNKBOZGZRGKXMB-KGLIPLIRSA-N 2 0 407.452 3.566 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465530049 989889777 /nfs/dbraw/zinc/88/97/77/989889777.db2.gz YITVVNSSZFLXNV-SRYPRDQNSA-N 2 0 400.611 3.789 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000465546587 989909636 /nfs/dbraw/zinc/90/96/36/989909636.db2.gz DKWSYRFWXPDAHT-HXUWFJFHSA-N 2 0 400.611 3.840 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557314 989921277 /nfs/dbraw/zinc/92/12/77/989921277.db2.gz GAMJRHFIXIVUHP-VQIMIIECSA-N 2 0 414.516 3.824 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000465582143 989953674 /nfs/dbraw/zinc/95/36/74/989953674.db2.gz ZNAFSZTZVOTZSS-OAQYLSRUSA-N 2 0 400.611 3.792 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465604669 989986449 /nfs/dbraw/zinc/98/64/49/989986449.db2.gz QLSHPTRIPGNTBB-QHCPKHFHSA-N 2 0 420.601 3.946 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465624845 990010428 /nfs/dbraw/zinc/01/04/28/990010428.db2.gz GWNAUPCQJOOGMS-LJQANCHMSA-N 2 0 407.002 3.678 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678642 990063658 /nfs/dbraw/zinc/06/36/58/990063658.db2.gz CHQVVULRQZMIOH-REWPJTCUSA-N 2 0 412.553 3.592 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916566 990083870 /nfs/dbraw/zinc/08/38/70/990083870.db2.gz WYQPDPQAZRTXAE-IRLDBZIGSA-N 2 0 408.590 3.937 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000465740553 990126036 /nfs/dbraw/zinc/12/60/36/990126036.db2.gz GNWKTWYLGBJRPP-IRXDYDNUSA-N 2 0 414.516 3.824 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132462 /nfs/dbraw/zinc/13/24/62/990132462.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 2 0 400.592 3.562 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465787920 990169731 /nfs/dbraw/zinc/16/97/31/990169731.db2.gz UTLMKKMNOLIKNB-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814222 990197394 /nfs/dbraw/zinc/19/73/94/990197394.db2.gz MCZJROCUIXGTTD-URXFXBBRSA-N 2 0 408.590 3.904 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472056900 990221370 /nfs/dbraw/zinc/22/13/70/990221370.db2.gz AQAAFJQQMGFUIS-WIYYLYMNSA-N 2 0 424.992 3.989 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472059330 990223136 /nfs/dbraw/zinc/22/31/36/990223136.db2.gz USQOKSWSUPOSQS-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465879379 990997566 /nfs/dbraw/zinc/99/75/66/990997566.db2.gz ZBPKVINZVGDMQD-NZQKXSOJSA-N 2 0 400.611 3.503 20 0 HHADRP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883459 991005629 /nfs/dbraw/zinc/00/56/29/991005629.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 2 0 408.590 3.813 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011497 991177176 /nfs/dbraw/zinc/17/71/76/991177176.db2.gz BTXCFJPPGUAPFH-YADHBBJMSA-N 2 0 402.627 3.906 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466289120 991538284 /nfs/dbraw/zinc/53/82/84/991538284.db2.gz TXKKXEFOMWEQMS-FGCOXFRFSA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)c(C)c2)CC1 ZINC000466379514 991663923 /nfs/dbraw/zinc/66/39/23/991663923.db2.gz YQWQDIHVJKPEKV-UHFFFAOYSA-N 2 0 423.605 3.563 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466783727 992090994 /nfs/dbraw/zinc/09/09/94/992090994.db2.gz ZQVQVALMZYVVKJ-RDPSFJRHSA-N 2 0 408.590 3.643 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000467096293 992401629 /nfs/dbraw/zinc/40/16/29/992401629.db2.gz POAKAAIUTZBKAO-XMMPIXPASA-N 2 0 408.590 3.735 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000467097109 992402712 /nfs/dbraw/zinc/40/27/12/992402712.db2.gz VYKSQXRFHSBDRX-IFMALSPDSA-N 2 0 414.619 3.735 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000467170746 992490636 /nfs/dbraw/zinc/49/06/36/992490636.db2.gz IYYFQEPFEOIISW-GOSISDBHSA-N 2 0 410.002 3.682 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000467175953 992496806 /nfs/dbraw/zinc/49/68/06/992496806.db2.gz LWWIBCKGWIVYTP-ICSRJNTNSA-N 2 0 407.624 3.623 20 0 HHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000467388376 992702126 /nfs/dbraw/zinc/70/21/26/992702126.db2.gz KYRVLVHKXDQJOO-SFHVURJKSA-N 2 0 406.496 3.833 20 0 HHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000467426010 992725812 /nfs/dbraw/zinc/72/58/12/992725812.db2.gz UHHGUNFHTDCXHY-UXHICEINSA-N 2 0 413.400 3.863 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000472134021 993186362 /nfs/dbraw/zinc/18/63/62/993186362.db2.gz FIKQUBAQEBYMKU-HNNXBMFYSA-N 2 0 412.525 3.945 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000472309407 993321444 /nfs/dbraw/zinc/32/14/44/993321444.db2.gz IIHUAFQFEFWKJC-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472311386 993322738 /nfs/dbraw/zinc/32/27/38/993322738.db2.gz IEFDHTKBTNCZPJ-RPWUZVMVSA-N 2 0 412.622 3.806 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000472369956 993367046 /nfs/dbraw/zinc/36/70/46/993367046.db2.gz SWNMMIDMWNITQM-DEOSSOPVSA-N 2 0 408.590 3.590 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000480733547 993599822 /nfs/dbraw/zinc/59/98/22/993599822.db2.gz BBIJYTYMTQHWLS-LJQANCHMSA-N 2 0 420.601 3.905 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480760771 993626330 /nfs/dbraw/zinc/62/63/30/993626330.db2.gz IENVKHWPFCLJLQ-HXUWFJFHSA-N 2 0 414.619 3.813 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783426 993650663 /nfs/dbraw/zinc/65/06/63/993650663.db2.gz ZZYQYXLUMPCFBY-BWKNWUBXSA-N 2 0 403.574 3.902 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000472765174 993704327 /nfs/dbraw/zinc/70/43/27/993704327.db2.gz CZDCELVCNZIXKK-IBGZPJMESA-N 2 0 408.384 3.974 20 0 HHADRP Clc1cnc(NC2CC([NH+]3CCCCC3)C2)nc1NC1CC([NH+]2CCCCC2)C1 ZINC000480846477 993720199 /nfs/dbraw/zinc/72/01/99/993720199.db2.gz RMDXOPSXRKMZLN-UHFFFAOYSA-N 2 0 419.017 3.988 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000472908418 993835348 /nfs/dbraw/zinc/83/53/48/993835348.db2.gz PCULECCCRCFNJQ-OAQYLSRUSA-N 2 0 408.590 3.861 20 0 HHADRP C[C@@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000473024564 993943603 /nfs/dbraw/zinc/94/36/03/993943603.db2.gz FVDMADOGBRIZNB-FQEVSTJZSA-N 2 0 412.578 3.796 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169751 994001240 /nfs/dbraw/zinc/00/12/40/994001240.db2.gz FQQVUSHWARUHAD-CZTZKLFOSA-N 2 0 402.966 3.888 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000481245650 994072440 /nfs/dbraw/zinc/07/24/40/994072440.db2.gz IAZZPFPKASEFMS-BEFAXECRSA-N 2 0 415.379 3.934 20 0 HHADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000481246221 994073283 /nfs/dbraw/zinc/07/32/83/994073283.db2.gz LEYZYCCAHVPVDK-MRXNPFEDSA-N 2 0 408.468 3.625 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000481252909 994077537 /nfs/dbraw/zinc/07/75/37/994077537.db2.gz HRTGEIUMPFPUAP-RBBKRZOGSA-N 2 0 412.553 3.797 20 0 HHADRP CCOc1ccc([C@@H](CC)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC ZINC000481259632 994081023 /nfs/dbraw/zinc/08/10/23/994081023.db2.gz SBLSCGODXFNWLK-OAQYLSRUSA-N 2 0 412.578 3.872 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559364 994393132 /nfs/dbraw/zinc/39/31/32/994393132.db2.gz FQEZTGXWFXHUOX-FDDCHVKYSA-N 2 0 411.546 3.595 20 0 HHADRP CC1(C)CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2ccccc21 ZINC000481677671 994537243 /nfs/dbraw/zinc/53/72/43/994537243.db2.gz LLMYZXGPTPURCP-KNQAVFIVSA-N 2 0 421.589 3.684 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819253 994746754 /nfs/dbraw/zinc/74/67/54/994746754.db2.gz FXAQLOCHLZIFNI-REWPJTCUSA-N 2 0 421.589 3.613 20 0 HHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917062 994788504 /nfs/dbraw/zinc/78/85/04/994788504.db2.gz OSCNMNRZVXQDGM-VQIMIIECSA-N 2 0 416.031 3.943 20 0 HHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917060 994789121 /nfs/dbraw/zinc/78/91/21/994789121.db2.gz OSCNMNRZVXQDGM-LPHOPBHVSA-N 2 0 416.031 3.943 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000481920626 994792362 /nfs/dbraw/zinc/79/23/62/994792362.db2.gz FMCQLJZQFSXWPT-SFHVURJKSA-N 2 0 421.511 3.618 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000473878267 994824051 /nfs/dbraw/zinc/82/40/51/994824051.db2.gz SKARPONZOLAZKC-TXTKFYIRSA-N 2 0 408.590 3.745 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000474004984 994994531 /nfs/dbraw/zinc/99/45/31/994994531.db2.gz KBBDUELSKSLXPK-WOJBJXKFSA-N 2 0 400.611 3.564 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474013883 995004491 /nfs/dbraw/zinc/00/44/91/995004491.db2.gz VOOKVEFKRMTTDS-NPHXMPSESA-N 2 0 400.611 3.707 20 0 HHADRP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474027650 995019096 /nfs/dbraw/zinc/01/90/96/995019096.db2.gz JJKCZYMYLVLEJM-OFNKIYASSA-N 2 0 400.611 3.975 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482084861 995024459 /nfs/dbraw/zinc/02/44/59/995024459.db2.gz QHSJGSJQCCPQGV-LOSJGSFVSA-N 2 0 419.569 3.999 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482084860 995024817 /nfs/dbraw/zinc/02/48/17/995024817.db2.gz QHSJGSJQCCPQGV-JWQCQUIFSA-N 2 0 419.569 3.999 20 0 HHADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482108747 995055680 /nfs/dbraw/zinc/05/56/80/995055680.db2.gz IQUSBHLRMCMZQZ-NRFANRHFSA-N 2 0 415.379 3.633 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)c(C)c2c1 ZINC000482238633 995221523 /nfs/dbraw/zinc/22/15/23/995221523.db2.gz AORNMSRJOAMRIC-KRWDZBQOSA-N 2 0 409.530 3.892 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000482242807 995224672 /nfs/dbraw/zinc/22/46/72/995224672.db2.gz LZJALBCCYAVYAX-ZDUSSCGKSA-N 2 0 410.381 3.653 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)C[C@H](C)O1 ZINC000474276516 995272279 /nfs/dbraw/zinc/27/22/79/995272279.db2.gz JYPQXFBBPKMZCY-HDICACEKSA-N 2 0 417.985 3.632 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000474277554 995273046 /nfs/dbraw/zinc/27/30/46/995273046.db2.gz MHUNQAWCPIRSOX-KDURUIRLSA-N 2 0 400.542 3.723 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339972 995318536 /nfs/dbraw/zinc/31/85/36/995318536.db2.gz YSELBMWTMOUDCI-MOPGFXCFSA-N 2 0 419.591 3.529 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474348736 995327980 /nfs/dbraw/zinc/32/79/80/995327980.db2.gz IEJNNWWEUKVSSF-GOSISDBHSA-N 2 0 424.427 3.887 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1OC(F)(F)F ZINC000482434848 995427756 /nfs/dbraw/zinc/42/77/56/995427756.db2.gz GFSIJYZJOKCAEL-QGZVFWFLSA-N 2 0 423.483 3.628 20 0 HHADRP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482449000 995448260 /nfs/dbraw/zinc/44/82/60/995448260.db2.gz HIGNSZKGKJXKJS-FQEVSTJZSA-N 2 0 415.969 3.536 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474529333 995495215 /nfs/dbraw/zinc/49/52/15/995495215.db2.gz YNSRIZTWVDEAPA-MQSCRBSSSA-N 2 0 412.622 3.803 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000482508941 995519358 /nfs/dbraw/zinc/51/93/58/995519358.db2.gz KHZWPAJWKPQMJH-MOPGFXCFSA-N 2 0 400.636 3.967 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482553887 995561130 /nfs/dbraw/zinc/56/11/30/995561130.db2.gz MLEYDCSZLUDACK-HFZDXXHNSA-N 3 0 407.602 3.644 20 0 HHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482555290 995562640 /nfs/dbraw/zinc/56/26/40/995562640.db2.gz QFSHAOINOKVZDY-UNMCSNQZSA-N 2 0 409.574 3.812 20 0 HHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000482634141 995628455 /nfs/dbraw/zinc/62/84/55/995628455.db2.gz ISQAOKKMCLXNFS-BEFAXECRSA-N 2 0 400.592 3.562 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636035 995629858 /nfs/dbraw/zinc/62/98/58/995629858.db2.gz LIPGILONEZTONQ-GHTZIAJQSA-N 2 0 413.562 3.850 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000474714045 995652803 /nfs/dbraw/zinc/65/28/03/995652803.db2.gz YXUPNHPQMUIIRL-BMQTXXJKSA-N 2 0 405.558 3.596 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000474886079 995778249 /nfs/dbraw/zinc/77/82/49/995778249.db2.gz KOTUYXGQRVVQCU-WQUXRXDGSA-N 2 0 413.528 3.622 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC000475048839 995890955 /nfs/dbraw/zinc/89/09/55/995890955.db2.gz PYZPDKXEZRMAME-SFTDATJTSA-N 2 0 416.610 3.592 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114023 995930535 /nfs/dbraw/zinc/93/05/35/995930535.db2.gz VWHHHSVOFCBCDQ-VXKWHMMOSA-N 2 0 410.562 3.641 20 0 HHADRP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475128093 995940720 /nfs/dbraw/zinc/94/07/20/995940720.db2.gz DWEDFYOKROKNCX-VWLOTQADSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475137714 995946727 /nfs/dbraw/zinc/94/67/27/995946727.db2.gz KYKWQNVOXXEPIW-RUZDIDTESA-N 2 0 420.601 3.609 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475138300 995947481 /nfs/dbraw/zinc/94/74/81/995947481.db2.gz UWVPYBFKTGLGRF-SANMLTNESA-N 2 0 420.601 3.946 20 0 HHADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CC2 ZINC000475176189 995973292 /nfs/dbraw/zinc/97/32/92/995973292.db2.gz ZGOIPRHTTWYVBG-IBGZPJMESA-N 2 0 421.589 3.809 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177581 995974585 /nfs/dbraw/zinc/97/45/85/995974585.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 2 0 400.611 3.947 20 0 HHADRP Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126830 995991217 /nfs/dbraw/zinc/99/12/17/995991217.db2.gz LMKWXOYYLYXTQF-UXHICEINSA-N 2 0 417.619 3.945 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140176 995998900 /nfs/dbraw/zinc/99/89/00/995998900.db2.gz ZSOAHWNGNFWTIC-LMNJBCLMSA-N 2 0 424.427 3.754 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292509 996049819 /nfs/dbraw/zinc/04/98/19/996049819.db2.gz SPIYDNACKXJBBE-HSZRJFAPSA-N 3 0 406.618 3.829 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000475308629 996059706 /nfs/dbraw/zinc/05/97/06/996059706.db2.gz BLXRXHQXGLBAGQ-ABZZFDDBSA-N 2 0 410.606 3.699 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475364235 996092749 /nfs/dbraw/zinc/09/27/49/996092749.db2.gz NIEJEOZHPPFLTE-UHFFFAOYSA-N 2 0 420.001 3.620 20 0 HHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000483521390 996230602 /nfs/dbraw/zinc/23/06/02/996230602.db2.gz XVFIAFSVBVAEOZ-SFHVURJKSA-N 2 0 417.001 3.522 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483592895 996272842 /nfs/dbraw/zinc/27/28/42/996272842.db2.gz BDLKPKCEHZNOLK-YADHBBJMSA-N 2 0 403.636 3.575 20 0 HHADRP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627392 996295369 /nfs/dbraw/zinc/29/53/69/996295369.db2.gz VGPBWIIBOYAGQS-FOIQADDNSA-N 2 0 409.496 3.831 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000483686024 996328546 /nfs/dbraw/zinc/32/85/46/996328546.db2.gz OVWSEDCCIWHKEU-HSZRJFAPSA-N 2 0 400.611 3.646 20 0 HHADRP CC(C)(CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000483691261 996331210 /nfs/dbraw/zinc/33/12/10/996331210.db2.gz ZDFJLHSYJAIUEV-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C[C@@H]1C ZINC000483715963 996346426 /nfs/dbraw/zinc/34/64/26/996346426.db2.gz XXQKKXICNDYPBF-JTAQYXEDSA-N 2 0 400.611 3.933 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483770231 996376159 /nfs/dbraw/zinc/37/61/59/996376159.db2.gz BWYIEJXBRPKKEK-UHFFFAOYSA-N 2 0 418.651 3.512 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483790282 996389575 /nfs/dbraw/zinc/38/95/75/996389575.db2.gz VXDQACLMGGSHHY-UHFFFAOYSA-N 2 0 410.672 3.694 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876474 996442283 /nfs/dbraw/zinc/44/22/83/996442283.db2.gz NCAXXXXIOCUBMW-IRLDBZIGSA-N 2 0 400.611 3.851 20 0 HHADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000483920870 996469667 /nfs/dbraw/zinc/46/96/67/996469667.db2.gz BKDBNUIJGSRYNU-UHFFFAOYSA-N 2 0 409.622 3.809 20 0 HHADRP C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484158437 996606548 /nfs/dbraw/zinc/60/65/48/996606548.db2.gz JEKPBEXCDLQBCH-FQEVSTJZSA-N 2 0 409.574 3.830 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000476161105 996644499 /nfs/dbraw/zinc/64/44/99/996644499.db2.gz PEDLGXDYMZNGAW-UHFFFAOYSA-N 2 0 404.352 3.915 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000484295238 996685118 /nfs/dbraw/zinc/68/51/18/996685118.db2.gz VEMIHNNTYPKLDE-CBQOVEMMSA-N 2 0 407.624 3.778 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCC3)cc1 ZINC000484478619 996798650 /nfs/dbraw/zinc/79/86/50/996798650.db2.gz DFRYMZQXRAFYKU-HXUWFJFHSA-N 2 0 414.619 3.812 20 0 HHADRP COCCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000484479757 996799014 /nfs/dbraw/zinc/79/90/14/996799014.db2.gz ZBFQZGJBIQSNNL-FQEVSTJZSA-N 2 0 412.416 3.532 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc(OC)c1OC ZINC000484488392 996810056 /nfs/dbraw/zinc/81/00/56/996810056.db2.gz HSOGIFRBEYSNJY-KRWDZBQOSA-N 2 0 414.546 3.520 20 0 HHADRP CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476442456 996913542 /nfs/dbraw/zinc/91/35/42/996913542.db2.gz WMFSIOBNTGKERT-HSZRJFAPSA-N 2 0 406.574 3.793 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1)C[C@H]1CCCCO1 ZINC000484656672 996993894 /nfs/dbraw/zinc/99/38/94/996993894.db2.gz RKGZSXRFOMQKID-JTHBVZDNSA-N 2 0 416.610 3.882 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716787 997057379 /nfs/dbraw/zinc/05/73/79/997057379.db2.gz VMIBHKSLZPPNBK-RZUBCFFCSA-N 2 0 423.605 3.589 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000476800476 997348824 /nfs/dbraw/zinc/34/88/24/997348824.db2.gz BTIBYTIPGTZFFQ-PXNSSMCTSA-N 2 0 422.017 3.676 20 0 HHADRP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476983139 997606001 /nfs/dbraw/zinc/60/60/01/997606001.db2.gz KNKCHTVWUSLBNN-QTEQDKRBSA-N 2 0 413.606 3.991 20 0 HHADRP COc1cccc(COC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986390 997610307 /nfs/dbraw/zinc/61/03/07/997610307.db2.gz PTJXDNBQLKAIMA-NZQKXSOJSA-N 2 0 404.595 3.549 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476990990 997616857 /nfs/dbraw/zinc/61/68/57/997616857.db2.gz XZCJSCWRSQJBLJ-WOJBJXKFSA-N 2 0 401.595 3.676 20 0 HHADRP C(CC[NH+]1CC[C@H](C[NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000477049804 997689855 /nfs/dbraw/zinc/68/98/55/997689855.db2.gz KLLQVRRDBIDAFP-JWQCQUIFSA-N 4 0 404.687 3.772 20 0 HHADRP Cc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000477080733 997733556 /nfs/dbraw/zinc/73/35/56/997733556.db2.gz FKBKCQAXSSTCMQ-AVRDEDQJSA-N 2 0 412.582 3.580 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccc(C(F)(F)F)cc1 ZINC000485347140 997768029 /nfs/dbraw/zinc/76/80/29/997768029.db2.gz NLEVMZNNEIBSAJ-IBGZPJMESA-N 2 0 412.500 3.578 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000477298204 997984933 /nfs/dbraw/zinc/98/49/33/997984933.db2.gz KNELEHOZIQTNDL-UCBGAZFYSA-N 2 0 410.606 3.842 20 0 HHADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@@H]21 ZINC000485602087 998048959 /nfs/dbraw/zinc/04/89/59/998048959.db2.gz QCJYIKFJOSANML-UNMCSNQZSA-N 2 0 419.013 3.678 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2ncsc2c1 ZINC000485824300 998291344 /nfs/dbraw/zinc/29/13/44/998291344.db2.gz BZZYBVOHBOMZHF-UWVAXJGDSA-N 2 0 408.571 3.726 20 0 HHADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000477909242 998649071 /nfs/dbraw/zinc/64/90/71/998649071.db2.gz DJOCSRSBMDYBFL-RCTAOEEJSA-N 2 0 403.570 3.596 20 0 HHADRP C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300518 998701979 /nfs/dbraw/zinc/70/19/79/998701979.db2.gz TXUTVTMWJREHBU-GBAAUQCPSA-N 2 0 414.638 3.954 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000478032548 998724605 /nfs/dbraw/zinc/72/46/05/998724605.db2.gz XPUFPHMZULHLTD-XMMPIXPASA-N 2 0 421.589 3.508 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000478035079 998726577 /nfs/dbraw/zinc/72/65/77/998726577.db2.gz CWJIIKUUPZUHFD-HKUYNNGSSA-N 2 0 403.533 3.764 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000478035080 998726712 /nfs/dbraw/zinc/72/67/12/998726712.db2.gz CWJIIKUUPZUHFD-IEBWSBKVSA-N 2 0 403.533 3.764 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000486486001 998790443 /nfs/dbraw/zinc/79/04/43/998790443.db2.gz LIGRNPDEEAQRKI-LJQANCHMSA-N 2 0 405.464 3.771 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000478176232 998804043 /nfs/dbraw/zinc/80/40/43/998804043.db2.gz JVCGDPCPCGYWEK-HSZRJFAPSA-N 2 0 411.638 3.591 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478216272 998827909 /nfs/dbraw/zinc/82/79/09/998827909.db2.gz ZBOSTYSHIUJAOC-UHFFFAOYSA-N 2 0 418.029 3.939 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000478579032 999032491 /nfs/dbraw/zinc/03/24/91/999032491.db2.gz IQCZZBMBWIAHJG-HDICACEKSA-N 2 0 410.562 3.659 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)cc1)C1CC1 ZINC000487016387 999037433 /nfs/dbraw/zinc/03/74/33/999037433.db2.gz ZXCWLZAQEXAGRD-QHCPKHFHSA-N 2 0 405.586 3.965 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000478620749 999049828 /nfs/dbraw/zinc/04/98/28/999049828.db2.gz KJQLTKFKSXREOW-OAQYLSRUSA-N 2 0 405.627 3.525 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000487298722 999127630 /nfs/dbraw/zinc/12/76/30/999127630.db2.gz BUBGXGMYXSIRAM-UHFFFAOYSA-N 2 0 410.543 3.519 20 0 HHADRP Cn1ncc(Br)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000487302079 999128347 /nfs/dbraw/zinc/12/83/47/999128347.db2.gz QDLJRAGQTRBJQS-UHFFFAOYSA-N 2 0 411.775 3.838 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000478786659 999140075 /nfs/dbraw/zinc/14/00/75/999140075.db2.gz XIKZQCILHIBARI-DEOSSOPVSA-N 2 0 424.589 3.606 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000478807658 999150528 /nfs/dbraw/zinc/15/05/28/999150528.db2.gz RIUSUGJVBNEGPB-HYBUGGRVSA-N 2 0 408.590 3.684 20 0 HHADRP C[C@H](C[NH2+][C@H]1C[C@H](C)CCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000479065386 999276945 /nfs/dbraw/zinc/27/69/45/999276945.db2.gz HMKWJCSPLFDDKL-LZJOCLMNSA-N 2 0 408.428 3.936 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479075513 999282230 /nfs/dbraw/zinc/28/22/30/999282230.db2.gz IKPVTRNRYDQNLT-RUZDIDTESA-N 2 0 416.569 3.996 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000487972235 999332098 /nfs/dbraw/zinc/33/20/98/999332098.db2.gz CGDNHWPCRMQJFQ-UHFFFAOYSA-N 2 0 407.599 3.622 20 0 HHADRP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000479282303 999363557 /nfs/dbraw/zinc/36/35/57/999363557.db2.gz IJHOWUJCIOIQAS-CHWSQXEVSA-N 2 0 408.306 3.754 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000479307542 999376543 /nfs/dbraw/zinc/37/65/43/999376543.db2.gz NNSJBHKHSIGTPJ-HPJCCJEISA-N 2 0 412.622 3.931 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479346740 999396532 /nfs/dbraw/zinc/39/65/32/999396532.db2.gz GYNJOFASQOEIOR-GOSISDBHSA-N 2 0 403.592 3.643 20 0 HHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467640 999429964 /nfs/dbraw/zinc/42/99/64/999429964.db2.gz WGSLIKXTTAGDKC-JTHBVZDNSA-N 2 0 409.574 3.716 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479768299 999581202 /nfs/dbraw/zinc/58/12/02/999581202.db2.gz JBPHLWSCXIDNRI-IRXDYDNUSA-N 2 0 424.010 3.982 20 0 HHADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000479973100 999669371 /nfs/dbraw/zinc/66/93/71/999669371.db2.gz XJQKAAAAEFOYPT-UHFFFAOYSA-N 2 0 410.558 3.888 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489230717 999726983 /nfs/dbraw/zinc/72/69/83/999726983.db2.gz HKPDQJHEXKQUDA-FQEVSTJZSA-N 2 0 406.640 3.868 20 0 HHADRP c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260067 999732267 /nfs/dbraw/zinc/73/22/67/999732267.db2.gz VYACXFBCGKKLGW-CLJLJLNGSA-N 2 0 410.650 3.522 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000489274870 999735048 /nfs/dbraw/zinc/73/50/48/999735048.db2.gz FJXBPYSGBWDMGY-SANMLTNESA-N 2 0 420.601 3.946 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278573 999735641 /nfs/dbraw/zinc/73/56/41/999735641.db2.gz RSIUXSUAPYAVFP-BJKOFHAPSA-N 2 0 424.589 3.743 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000489400159 999759346 /nfs/dbraw/zinc/75/93/46/999759346.db2.gz JNFCOBFDGSOLCC-HUVFLSCGSA-N 2 0 408.590 3.808 20 0 HHADRP C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480267566 999759668 /nfs/dbraw/zinc/75/96/68/999759668.db2.gz RGAAYUNNNFWJSU-HRAATJIYSA-N 2 0 421.632 3.780 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410736 999761197 /nfs/dbraw/zinc/76/11/97/999761197.db2.gz ZPKLXPWMCWEFKY-JLCRNFDHSA-N 2 0 404.624 3.503 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000489536890 999787129 /nfs/dbraw/zinc/78/71/29/999787129.db2.gz YHVUMHKYZJRRFR-UIFIKXQLSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581253 999796841 /nfs/dbraw/zinc/79/68/41/999796841.db2.gz GFQPGMXVVDDOBH-MBSDFSHPSA-N 2 0 412.553 3.597 20 0 HHADRP COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cn(-c4cc[nH+]cc4)nc3C)c2)n1 ZINC000480446423 999800888 /nfs/dbraw/zinc/80/08/88/999800888.db2.gz RPTDKCJTLKBIBN-UHFFFAOYSA-N 2 0 419.510 3.776 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000480550699 999824305 /nfs/dbraw/zinc/82/43/05/999824305.db2.gz MLKWEAGVFULXQX-YOEHRIQHSA-N 2 0 421.479 3.812 20 0 HHADRP COc1ccc(C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccc(OC)cc2)cc1 ZINC000480553653 999824998 /nfs/dbraw/zinc/82/49/98/999824998.db2.gz LGPVZCXCLNMJOT-RUZDIDTESA-N 2 0 411.590 3.603 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602971 999838164 /nfs/dbraw/zinc/83/81/64/999838164.db2.gz QVTVGOFFACSMMH-MOPGFXCFSA-N 2 0 415.603 3.820 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000480608507 999839596 /nfs/dbraw/zinc/83/95/96/999839596.db2.gz JTEMEOJQJWYODU-NLFFAJNJSA-N 2 0 411.590 3.603 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489802536 999841284 /nfs/dbraw/zinc/84/12/84/999841284.db2.gz CRSBSXHWDRLDQV-OALUTQOASA-N 2 0 414.516 3.651 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480622555 999843417 /nfs/dbraw/zinc/84/34/17/999843417.db2.gz VOTCSUAINFPGTA-PXNSSMCTSA-N 2 0 414.619 3.812 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821716 999844039 /nfs/dbraw/zinc/84/40/39/999844039.db2.gz BIUIRWXDNWYISF-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847292 999848755 /nfs/dbraw/zinc/84/87/55/999848755.db2.gz ZEFFQXHIABDFBD-NOZRDPDXSA-N 2 0 420.601 3.687 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000480660616 999853481 /nfs/dbraw/zinc/85/34/81/999853481.db2.gz QBGKOIJDYOGPGH-NHCUHLMSSA-N 2 0 410.606 3.932 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000489916870 999861952 /nfs/dbraw/zinc/86/19/52/999861952.db2.gz QAGQUIUUPRQUMA-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000490116935 999895321 /nfs/dbraw/zinc/89/53/21/999895321.db2.gz DCUSVBALUJZRDU-SANMLTNESA-N 2 0 400.570 3.969 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000490355638 999943549 /nfs/dbraw/zinc/94/35/49/999943549.db2.gz QSBLKVBTSRJBBF-MISYRCLQSA-N 2 0 403.368 3.536 20 0 HHADRP C[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490654858 999989535 /nfs/dbraw/zinc/98/95/35/999989535.db2.gz ZALHIRQLZDCHQD-WIOPSUGQSA-N 2 0 407.602 3.750 20 0 HHADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769767 1000003599 /nfs/dbraw/zinc/00/35/99/1000003599.db2.gz NPJACZVZXFHJED-FTBPSBKWSA-N 2 0 405.586 3.925 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491002461 1000032717 /nfs/dbraw/zinc/03/27/17/1000032717.db2.gz BSIIWFATNLOWET-JOCHJYFZSA-N 2 0 404.551 3.640 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491020891 1000034649 /nfs/dbraw/zinc/03/46/49/1000034649.db2.gz NNGWDWHLCYNKGG-IERDGZPVSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024357 1000035285 /nfs/dbraw/zinc/03/52/85/1000035285.db2.gz XDBQTPSKSWXUNU-DNRQZRRGSA-N 2 0 420.601 3.958 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000491034695 1000037290 /nfs/dbraw/zinc/03/72/90/1000037290.db2.gz SXPVZSPNRQALMU-KKSFZXQISA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000491059113 1000040704 /nfs/dbraw/zinc/04/07/04/1000040704.db2.gz JOJHHYIMOJCHEE-RLWLMLJZSA-N 2 0 404.602 3.581 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491062446 1000041330 /nfs/dbraw/zinc/04/13/30/1000041330.db2.gz WGMNRCNBILLZDG-NRFANRHFSA-N 2 0 406.979 3.764 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000491082487 1000043516 /nfs/dbraw/zinc/04/35/16/1000043516.db2.gz WOTBZWQZZMTLDF-WMZHIEFXSA-N 2 0 416.610 3.592 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000491123359 1000047706 /nfs/dbraw/zinc/04/77/06/1000047706.db2.gz KXRAJJOLINYZPY-GMAHTHKFSA-N 2 0 412.622 3.805 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2C1 ZINC000491316807 1000064419 /nfs/dbraw/zinc/06/44/19/1000064419.db2.gz MSCQHUGGGPEVQX-BVFVYWQFSA-N 2 0 421.585 3.879 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491382146 1000070087 /nfs/dbraw/zinc/07/00/87/1000070087.db2.gz ATBCIZZXBXGEEA-LJQANCHMSA-N 2 0 424.593 3.846 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491413536 1000073160 /nfs/dbraw/zinc/07/31/60/1000073160.db2.gz MMOSXIFWWVGUHA-UHFFFAOYSA-N 2 0 424.593 3.703 20 0 HHADRP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861260 1000198656 /nfs/dbraw/zinc/19/86/56/1000198656.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504871239 1000416793 /nfs/dbraw/zinc/41/67/93/1000416793.db2.gz XAUCSCVBVVJFCQ-GHTZIAJQSA-N 2 0 412.603 3.631 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504910931 1000442884 /nfs/dbraw/zinc/44/28/84/1000442884.db2.gz YQRAZLRFRFWBEA-FQEVSTJZSA-N 2 0 408.590 3.774 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Br)c(Cl)c3)CC2)CC1 ZINC000494365615 1000456800 /nfs/dbraw/zinc/45/68/00/1000456800.db2.gz GNWKGCKCGDGPAD-UHFFFAOYSA-N 2 0 400.792 3.751 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 ZINC000494573819 1000560420 /nfs/dbraw/zinc/56/04/20/1000560420.db2.gz HYKUBAUXGKJMAI-QZTJIDSGSA-N 2 0 424.511 3.929 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000494573818 1000560700 /nfs/dbraw/zinc/56/07/00/1000560700.db2.gz HYKUBAUXGKJMAI-HDICACEKSA-N 2 0 424.511 3.929 20 0 HHADRP COC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000494648499 1000587696 /nfs/dbraw/zinc/58/76/96/1000587696.db2.gz LBDZCRIRDPKFIS-JOCHJYFZSA-N 2 0 415.965 3.643 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900848 1000720346 /nfs/dbraw/zinc/72/03/46/1000720346.db2.gz BWXHIFLSWMTQDK-VAMGGRTRSA-N 2 0 409.574 3.848 20 0 HHADRP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CCC(F)(F)F ZINC000495015588 1000778976 /nfs/dbraw/zinc/77/89/76/1000778976.db2.gz GRQBXMQMIIRDQL-UHFFFAOYSA-N 2 0 414.516 3.533 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495087606 1000825399 /nfs/dbraw/zinc/82/53/99/1000825399.db2.gz CKJZPQGVEOQZPP-FQEVSTJZSA-N 2 0 409.574 3.756 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495394135 1000997604 /nfs/dbraw/zinc/99/76/04/1000997604.db2.gz AVKOIDQUKRCJEJ-ZEQRLZLVSA-N 2 0 415.622 3.521 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505760873 1001009900 /nfs/dbraw/zinc/00/99/00/1001009900.db2.gz ZJZAPGPBXOMXJE-BHIYHBOVSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785804 1001022548 /nfs/dbraw/zinc/02/25/48/1001022548.db2.gz WWRUFPFXTJGFLG-LJQANCHMSA-N 2 0 418.582 3.746 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505857475 1001064689 /nfs/dbraw/zinc/06/46/89/1001064689.db2.gz RPKLXANYESHXOI-FYYLOGMGSA-N 2 0 421.585 3.557 20 0 HHADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505891258 1001083723 /nfs/dbraw/zinc/08/37/23/1001083723.db2.gz IVNSOTLKIZTNBE-YADHBBJMSA-N 2 0 413.512 3.535 20 0 HHADRP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017350 1001165302 /nfs/dbraw/zinc/16/53/02/1001165302.db2.gz KTIZSMUEZVOUBQ-SFHVURJKSA-N 2 0 407.986 3.800 20 0 HHADRP Clc1cccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)o2)c1 ZINC000506051194 1001192305 /nfs/dbraw/zinc/19/23/05/1001192305.db2.gz IQLBCQPZGJFZMX-UHFFFAOYSA-N 2 0 404.942 3.714 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1 ZINC000506149377 1001249224 /nfs/dbraw/zinc/24/92/24/1001249224.db2.gz XJYKUCOYCBHJBR-UHFFFAOYSA-N 2 0 419.573 3.721 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562124 1001436476 /nfs/dbraw/zinc/43/64/76/1001436476.db2.gz UTBGJDYIIWOUHZ-QHCPKHFHSA-N 2 0 412.622 3.505 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccco1 ZINC000506623870 1001474729 /nfs/dbraw/zinc/47/47/29/1001474729.db2.gz FCEDXMNFYGVGPJ-PWRODBHTSA-N 2 0 404.599 3.959 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506630540 1001476840 /nfs/dbraw/zinc/47/68/40/1001476840.db2.gz CCSFJHSHLVXKIP-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000497701146 1001490406 /nfs/dbraw/zinc/49/04/06/1001490406.db2.gz ILEHSHVAZILGGO-YXYSEUPNSA-N 2 0 419.585 3.986 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687965 1001494328 /nfs/dbraw/zinc/49/43/28/1001494328.db2.gz DWRIQHQMALBQGR-QFIPXVFZSA-N 2 0 422.621 3.526 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1)C1CC[NH+](C)CC1 ZINC000506705302 1001499047 /nfs/dbraw/zinc/49/90/47/1001499047.db2.gz DTJFJMZTOMBXOE-UHFFFAOYSA-N 2 0 418.589 3.639 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000498126616 1001652984 /nfs/dbraw/zinc/65/29/84/1001652984.db2.gz KZOFLSFLAPEVFQ-QPPBQGQZSA-N 2 0 406.574 3.651 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000498291717 1001760079 /nfs/dbraw/zinc/76/00/79/1001760079.db2.gz IJGWXOMHDHZIMK-XZOQPEGZSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)CC(C)C ZINC000507052972 1001783544 /nfs/dbraw/zinc/78/35/44/1001783544.db2.gz KJSLFZVLZNBZIJ-FPOVZHCZSA-N 2 0 403.615 3.865 20 0 HHADRP Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c12 ZINC000498337514 1001783670 /nfs/dbraw/zinc/78/36/70/1001783670.db2.gz SDVXYMDAJADICL-UHFFFAOYSA-N 2 0 423.561 3.544 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507359961 1002021975 /nfs/dbraw/zinc/02/19/75/1002021975.db2.gz MDOVBSNPFJEZFK-FYYLOGMGSA-N 2 0 408.590 3.521 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000507381326 1002036740 /nfs/dbraw/zinc/03/67/40/1002036740.db2.gz NOYSAZPYQSWSLZ-UHFFFAOYSA-N 2 0 408.590 3.654 20 0 HHADRP Cc1ccc(C)c([C@H](C)N(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498722611 1002104868 /nfs/dbraw/zinc/10/48/68/1002104868.db2.gz YNULCMCLIVRVKS-NRFANRHFSA-N 2 0 409.578 3.613 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000507511195 1002121331 /nfs/dbraw/zinc/12/13/31/1002121331.db2.gz OBWKRNYSDGLELH-QTJGBDASSA-N 2 0 407.558 3.640 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507782135 1002341379 /nfs/dbraw/zinc/34/13/79/1002341379.db2.gz CVAXJIMLPJDTII-UHFFFAOYSA-N 2 0 413.562 3.988 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000507900675 1002434284 /nfs/dbraw/zinc/43/42/84/1002434284.db2.gz BPRORJHFEPOUKS-UHFFFAOYSA-N 2 0 412.553 3.578 20 0 HHADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000507923428 1002457574 /nfs/dbraw/zinc/45/75/74/1002457574.db2.gz XMBLQZYKBBTGDA-UHFFFAOYSA-N 2 0 423.557 3.852 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150777 1002534230 /nfs/dbraw/zinc/53/42/30/1002534230.db2.gz ZCWSXXKYFDQIOV-DAANFHMWSA-N 2 0 418.629 3.982 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002541965 /nfs/dbraw/zinc/54/19/65/1002541965.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 2 0 405.586 3.804 20 0 HHADRP FC(F)(F)c1ccnc(NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000499256755 1002656992 /nfs/dbraw/zinc/65/69/92/1002656992.db2.gz RJJACMOFPVDMHU-BCDXTJNWSA-N 2 0 405.468 3.693 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000499578752 1002956266 /nfs/dbraw/zinc/95/62/66/1002956266.db2.gz YNGIXGKGBVWAKE-PMACEKPBSA-N 2 0 410.562 3.754 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719497 1003160227 /nfs/dbraw/zinc/16/02/27/1003160227.db2.gz KWJUHZZNYZHZTO-HRNNMHKYSA-N 2 0 407.602 3.869 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722290 1003163012 /nfs/dbraw/zinc/16/30/12/1003163012.db2.gz XBPUZPKKHFTBIO-DSBYRVASSA-N 2 0 423.601 3.569 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868866 1003289094 /nfs/dbraw/zinc/28/90/94/1003289094.db2.gz WHLUKCHCCLLDGP-SJROBZAFSA-N 2 0 423.605 3.716 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)o1 ZINC000508889417 1003315848 /nfs/dbraw/zinc/31/58/48/1003315848.db2.gz DKCHICWZZZYWFL-SIKLNZKXSA-N 2 0 400.567 3.661 20 0 HHADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906761 1003345375 /nfs/dbraw/zinc/34/53/75/1003345375.db2.gz OGRXFTRCRBDUCR-GIWBLDEGSA-N 2 0 400.611 3.831 20 0 HHADRP C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500037625 1003363535 /nfs/dbraw/zinc/36/35/35/1003363535.db2.gz KDABMDTZOCESOO-KRWDZBQOSA-N 2 0 418.994 3.544 20 0 HHADRP Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180510 1003529614 /nfs/dbraw/zinc/52/96/14/1003529614.db2.gz HMILWAVNKMFFIE-RUZDIDTESA-N 2 0 405.586 3.914 20 0 HHADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)cccc21 ZINC000509367259 1003795812 /nfs/dbraw/zinc/79/58/12/1003795812.db2.gz RNHYISWSROWCLF-BFYDXBDKSA-N 2 0 413.484 3.919 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000511843390 1003821100 /nfs/dbraw/zinc/82/11/00/1003821100.db2.gz NAIBHQCOVDJVSA-WOJBJXKFSA-N 2 0 409.496 3.674 20 0 HHADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509467914 1003884622 /nfs/dbraw/zinc/88/46/22/1003884622.db2.gz GRTSBFFXPGGFSI-JOCHJYFZSA-N 2 0 419.491 3.819 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000509477661 1003890472 /nfs/dbraw/zinc/89/04/72/1003890472.db2.gz RSXABRCJTSYKPG-INIZCTEOSA-N 2 0 413.566 3.890 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000500792322 1003959594 /nfs/dbraw/zinc/95/95/94/1003959594.db2.gz KCYSSWIGUZLQJY-UHFFFAOYSA-N 2 0 400.611 3.723 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000500815970 1003975830 /nfs/dbraw/zinc/97/58/30/1003975830.db2.gz DCDXQIAUAWTMSZ-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000500820086 1003978708 /nfs/dbraw/zinc/97/87/08/1003978708.db2.gz XEZTUEJGBBYXPY-UHFFFAOYSA-N 2 0 421.589 3.735 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000500844989 1003997882 /nfs/dbraw/zinc/99/78/82/1003997882.db2.gz YAJBOLRRRZFKJE-HSZRJFAPSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512088246 1004013541 /nfs/dbraw/zinc/01/35/41/1004013541.db2.gz NOQNFAVQZFBTFO-STQMWFEESA-N 2 0 407.365 3.595 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000512183738 1004086489 /nfs/dbraw/zinc/08/64/89/1004086489.db2.gz VXHDVBSXIVSYFI-IAGOWNOFSA-N 2 0 400.485 3.949 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509777143 1004088687 /nfs/dbraw/zinc/08/86/87/1004088687.db2.gz LVKUHBJCFUYUGY-GBXCKJPGSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000512195901 1004097441 /nfs/dbraw/zinc/09/74/41/1004097441.db2.gz OHGVIBPGUTUXDJ-QMWXCIFZSA-N 2 0 410.650 3.804 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000501001182 1004106591 /nfs/dbraw/zinc/10/65/91/1004106591.db2.gz SNNNYGKEYNIKDC-CVDCTZTESA-N 2 0 409.578 3.597 20 0 HHADRP Cc1ccc([C@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025539 1004129839 /nfs/dbraw/zinc/12/98/39/1004129839.db2.gz ZAPICRFEIBGYIP-VWLOTQADSA-N 2 0 406.574 3.806 20 0 HHADRP C[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501028961 1004132760 /nfs/dbraw/zinc/13/27/60/1004132760.db2.gz OTVLLXSBGXOHMK-UHFFFAOYSA-N 2 0 422.602 3.896 20 0 HHADRP CN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000501046146 1004147172 /nfs/dbraw/zinc/14/71/72/1004147172.db2.gz OPTNZIFEXVESER-DEOSSOPVSA-N 2 0 406.574 3.766 20 0 HHADRP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053390 1004156479 /nfs/dbraw/zinc/15/64/79/1004156479.db2.gz NJZIWMLAVNXLTQ-GOSISDBHSA-N 2 0 403.530 3.805 20 0 HHADRP C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065997 1004168642 /nfs/dbraw/zinc/16/86/42/1004168642.db2.gz BSWNSZCBLOHEFN-UHFFFAOYSA-N 2 0 417.435 3.897 20 0 HHADRP Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)C2=O)c1 ZINC000501069369 1004171147 /nfs/dbraw/zinc/17/11/47/1004171147.db2.gz OLQJVALTPVJSEM-JOCHJYFZSA-N 2 0 410.537 3.873 20 0 HHADRP CC(C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130013 1004223210 /nfs/dbraw/zinc/22/32/10/1004223210.db2.gz BSXYXWPOCUFJQC-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccsc1 ZINC000501173894 1004254512 /nfs/dbraw/zinc/25/45/12/1004254512.db2.gz KUVCKCTUPSAEEE-PMACEKPBSA-N 2 0 406.571 3.872 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413266 1004280603 /nfs/dbraw/zinc/28/06/03/1004280603.db2.gz USADKKCDAVUDDX-UNMCSNQZSA-N 2 0 412.578 3.654 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413724 1004281260 /nfs/dbraw/zinc/28/12/60/1004281260.db2.gz ZKCSXKIUOBIPCT-FYYLOGMGSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413726 1004281786 /nfs/dbraw/zinc/28/17/86/1004281786.db2.gz ZKCSXKIUOBIPCT-GMAHTHKFSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512423918 1004289808 /nfs/dbraw/zinc/28/98/08/1004289808.db2.gz LNBNMKPJVQIVMC-NHTMILBNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424677 1004290219 /nfs/dbraw/zinc/29/02/19/1004290219.db2.gz SHFPAYMENQPXGI-GIQJJWITSA-N 2 0 424.633 3.945 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512424839 1004291419 /nfs/dbraw/zinc/29/14/19/1004291419.db2.gz URXXLTYARIKWTK-JRFVFWCSSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512429606 1004296202 /nfs/dbraw/zinc/29/62/02/1004296202.db2.gz HWHIOCSMCIRKAP-CEXWTWQISA-N 2 0 400.567 3.701 20 0 HHADRP CC[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501351506 1004361381 /nfs/dbraw/zinc/36/13/81/1004361381.db2.gz LKOMYNLTFNQVKZ-QFIPXVFZSA-N 2 0 424.589 3.722 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501363435 1004368405 /nfs/dbraw/zinc/36/84/05/1004368405.db2.gz OYYQOQXUWOFVGB-TYJFDUFHSA-N 2 0 408.590 3.888 20 0 HHADRP O[C@]1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611231 1004424834 /nfs/dbraw/zinc/42/48/34/1004424834.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 2 0 419.613 3.514 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000512612306 1004425462 /nfs/dbraw/zinc/42/54/62/1004425462.db2.gz OJOSIQFWSVWATN-ISJGIBHGSA-N 2 0 405.586 3.914 20 0 HHADRP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632349 1004444680 /nfs/dbraw/zinc/44/46/80/1004444680.db2.gz ZKYVQZCEJDHNRV-PZUNEJSGSA-N 2 0 421.585 3.592 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N2CCOCC2)o1 ZINC000512652610 1004464803 /nfs/dbraw/zinc/46/48/03/1004464803.db2.gz ATABLSJOIVZPSZ-JBXUNAHCSA-N 2 0 423.601 3.852 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660858 1004472075 /nfs/dbraw/zinc/47/20/75/1004472075.db2.gz OZZQFECGXHBAKY-ZRBLBEILSA-N 2 0 407.606 3.827 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472248 /nfs/dbraw/zinc/47/22/48/1004472248.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 2 0 411.634 3.912 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510324709 1004481852 /nfs/dbraw/zinc/48/18/52/1004481852.db2.gz RMHNGVPETMNCSV-OFNKIYASSA-N 2 0 400.611 3.708 20 0 HHADRP C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527077 1004491589 /nfs/dbraw/zinc/49/15/89/1004491589.db2.gz GGFOQRARIGFGDC-HXUWFJFHSA-N 2 0 407.480 3.852 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000512718635 1004515668 /nfs/dbraw/zinc/51/56/68/1004515668.db2.gz QRCXALMEMUWDHV-UHFFFAOYSA-N 2 0 405.995 3.958 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000512821950 1004581559 /nfs/dbraw/zinc/58/15/59/1004581559.db2.gz STBFWXRGVFFAQB-HSZRJFAPSA-N 2 0 418.626 3.840 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462742 1004583286 /nfs/dbraw/zinc/58/32/86/1004583286.db2.gz XPEKMFLIOUATAH-VXKWHMMOSA-N 2 0 410.562 3.689 20 0 HHADRP CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501536 1004621212 /nfs/dbraw/zinc/62/12/12/1004621212.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 2 0 412.622 3.776 20 0 HHADRP CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501535 1004621802 /nfs/dbraw/zinc/62/18/02/1004621802.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 2 0 412.622 3.776 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000501778638 1004718291 /nfs/dbraw/zinc/71/82/91/1004718291.db2.gz VBXHZUFJGZGVKZ-UHFFFAOYSA-N 2 0 408.590 3.837 20 0 HHADRP CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501803707 1004745725 /nfs/dbraw/zinc/74/57/25/1004745725.db2.gz IDLXAJXCQBVESE-GOSISDBHSA-N 2 0 403.567 3.633 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501810748 1004750815 /nfs/dbraw/zinc/75/08/15/1004750815.db2.gz SGAOSFVKGQQUDK-BJKOFHAPSA-N 2 0 406.574 3.960 20 0 HHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510666209 1004788439 /nfs/dbraw/zinc/78/84/39/1004788439.db2.gz DGYPZNCPERXQDD-YLJYHZDGSA-N 2 0 415.528 3.773 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000501938564 1004819925 /nfs/dbraw/zinc/81/99/25/1004819925.db2.gz NBYAXVARTZPBCA-LJQANCHMSA-N 2 0 410.400 3.621 20 0 HHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000510750076 1004831766 /nfs/dbraw/zinc/83/17/66/1004831766.db2.gz LCAXJNONIFJSMR-KRWDZBQOSA-N 2 0 406.496 3.963 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510835855 1004882624 /nfs/dbraw/zinc/88/26/24/1004882624.db2.gz GQJZCQVMNXQJFK-QFIPXVFZSA-N 2 0 400.611 3.707 20 0 HHADRP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000510861974 1004897423 /nfs/dbraw/zinc/89/74/23/1004897423.db2.gz RSHSNEZJUMNKFK-LOSJGSFVSA-N 2 0 418.585 3.581 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883092 1004909492 /nfs/dbraw/zinc/90/94/92/1004909492.db2.gz OCXBGQIGLKIIIZ-NHCUHLMSSA-N 2 0 414.619 3.951 20 0 HHADRP CC(C)COc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000510887822 1004912170 /nfs/dbraw/zinc/91/21/70/1004912170.db2.gz MXZZWPBNJDYZTD-HSZRJFAPSA-N 2 0 409.574 3.709 20 0 HHADRP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372346 1004931819 /nfs/dbraw/zinc/93/18/19/1004931819.db2.gz PHZCCBXEXGDHJW-UKILVPOCSA-N 2 0 421.585 3.503 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513396692 1004942721 /nfs/dbraw/zinc/94/27/21/1004942721.db2.gz ZSNKWRXQDMMFGI-RUZDIDTESA-N 2 0 402.542 3.507 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448296 1004970960 /nfs/dbraw/zinc/97/09/60/1004970960.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 2 0 411.512 3.822 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511007909 1004977089 /nfs/dbraw/zinc/97/70/89/1004977089.db2.gz BQSAEYFZENVCAO-NFBKMPQASA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000513496145 1004990811 /nfs/dbraw/zinc/99/08/11/1004990811.db2.gz AERUUYZOKFHJKN-UHFFFAOYSA-N 2 0 406.618 3.925 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[C@H](c2ccccc2)C1 ZINC000513518441 1005001955 /nfs/dbraw/zinc/00/19/55/1005001955.db2.gz MKAUERKACIWYRE-UIOOFZCWSA-N 2 0 415.585 3.729 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000513542534 1005014687 /nfs/dbraw/zinc/01/46/87/1005014687.db2.gz FJYRQVZDHTYEDE-AZUAARDMSA-N 2 0 413.566 3.672 20 0 HHADRP C[NH+](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 1005029983 /nfs/dbraw/zinc/02/99/83/1005029983.db2.gz MDDNXWZRGUAABO-ZACQAIPSSA-N 2 0 419.919 3.968 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000511143947 1005042998 /nfs/dbraw/zinc/04/29/98/1005042998.db2.gz RPMQTHKQGPWDMS-BKSPAHHJSA-N 2 0 421.585 3.577 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690781 1005084074 /nfs/dbraw/zinc/08/40/74/1005084074.db2.gz MDYOOBMWAQSXRH-HSALFYBXSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233252 1005084485 /nfs/dbraw/zinc/08/44/85/1005084485.db2.gz LLPLTGWEMFRZLZ-PMACEKPBSA-N 2 0 422.683 3.690 20 0 HHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000502475108 1005086702 /nfs/dbraw/zinc/08/67/02/1005086702.db2.gz IWOYBFLWGCNJLB-AUSIDOKSSA-N 2 0 412.574 3.690 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511249116 1005090740 /nfs/dbraw/zinc/09/07/40/1005090740.db2.gz KNRZMXPECHRKLU-SLFFLAALSA-N 2 0 418.651 3.912 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000502493247 1005090755 /nfs/dbraw/zinc/09/07/55/1005090755.db2.gz JCTAINVQCBTYMX-OAQYLSRUSA-N 2 0 404.624 3.664 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268877 1005099880 /nfs/dbraw/zinc/09/98/80/1005099880.db2.gz NCULMYUMXLEBPA-AZUAARDMSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268880 1005099920 /nfs/dbraw/zinc/09/99/20/1005099920.db2.gz NCULMYUMXLEBPA-UYAOXDASSA-N 2 0 404.574 3.552 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccs1 ZINC000513904876 1005180544 /nfs/dbraw/zinc/18/05/44/1005180544.db2.gz CMEVDLRVVWVABO-OAQYLSRUSA-N 2 0 414.619 3.701 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccccc3F)CC2)CC1 ZINC000502768334 1005208817 /nfs/dbraw/zinc/20/88/17/1005208817.db2.gz QFPNZDBACJUKIO-UHFFFAOYSA-N 2 0 418.601 3.942 20 0 HHADRP C[N@H+](CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000514011581 1005227228 /nfs/dbraw/zinc/22/72/28/1005227228.db2.gz QRYRANQDXACBSY-UHFFFAOYSA-N 2 0 408.590 3.720 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514026594 1005233582 /nfs/dbraw/zinc/23/35/82/1005233582.db2.gz IPVZEGLXQYHKOE-QFIPXVFZSA-N 2 0 400.611 3.710 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511586602 1005235217 /nfs/dbraw/zinc/23/52/17/1005235217.db2.gz PJAHOWKJUFCAEP-QFIPXVFZSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033131 1005236307 /nfs/dbraw/zinc/23/63/07/1005236307.db2.gz QBBHZJQDZQABDO-HYBUGGRVSA-N 2 0 406.574 3.917 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)CC1 ZINC000502831805 1005236690 /nfs/dbraw/zinc/23/66/90/1005236690.db2.gz RDDVVAQXLFLCBK-HRTMPFAESA-N 2 0 404.574 3.771 20 0 HHADRP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514092178 1005261641 /nfs/dbraw/zinc/26/16/41/1005261641.db2.gz CNQRVSCUPFPFJV-HXUWFJFHSA-N 2 0 410.558 3.971 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096971 1005264110 /nfs/dbraw/zinc/26/41/10/1005264110.db2.gz YYZHEOGMTDTDRB-VAMGGRTRSA-N 2 0 405.546 3.727 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000511658267 1005264967 /nfs/dbraw/zinc/26/49/67/1005264967.db2.gz WHNQAFXLMTYEQJ-UHFFFAOYSA-N 2 0 420.648 3.788 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514107625 1005268564 /nfs/dbraw/zinc/26/85/64/1005268564.db2.gz NXYLPCOPUBFPAS-FGZHOGPDSA-N 2 0 414.638 3.956 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115269 1005272173 /nfs/dbraw/zinc/27/21/73/1005272173.db2.gz QSNYBZKPCZHROR-FYYLOGMGSA-N 2 0 400.611 3.943 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccco1 ZINC000514173307 1005298178 /nfs/dbraw/zinc/29/81/78/1005298178.db2.gz VPPSZKGRMJPLLD-ROUUACIJSA-N 2 0 404.580 3.860 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000514191064 1005305580 /nfs/dbraw/zinc/30/55/80/1005305580.db2.gz VBCYDVIRWDEKOT-XMMPIXPASA-N 2 0 424.589 3.509 20 0 HHADRP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000511751104 1005307054 /nfs/dbraw/zinc/30/70/54/1005307054.db2.gz FXSCPAIMTOZXNY-LOSJGSFVSA-N 2 0 403.570 3.645 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000503094324 1005345891 /nfs/dbraw/zinc/34/58/91/1005345891.db2.gz OYNWLPDALFDQCB-UTKZUKDTSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369696 /nfs/dbraw/zinc/36/96/96/1005369696.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 2 0 420.601 3.686 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503392762 1005406256 /nfs/dbraw/zinc/40/62/56/1005406256.db2.gz QDSIGBJIVQMLKK-QFIPXVFZSA-N 2 0 412.622 3.732 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398549 1005408150 /nfs/dbraw/zinc/40/81/50/1005408150.db2.gz JXKBUGINOJADIT-FYYLOGMGSA-N 2 0 400.611 3.505 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C[C@H]1C ZINC000503430492 1005418039 /nfs/dbraw/zinc/41/80/39/1005418039.db2.gz RTLHGXFNZBASFD-FUPPJEDESA-N 2 0 415.622 3.576 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000503497721 1005437479 /nfs/dbraw/zinc/43/74/79/1005437479.db2.gz GYLICZLFSNDFIR-DENIHFKCSA-N 2 0 404.574 3.726 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)c1 ZINC000503498216 1005437772 /nfs/dbraw/zinc/43/77/72/1005437772.db2.gz JMPHCAPVILOLFO-REWPJTCUSA-N 2 0 416.610 3.596 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000503556444 1005452000 /nfs/dbraw/zinc/45/20/00/1005452000.db2.gz CYTQUUGNQMTKFE-FQEVSTJZSA-N 2 0 413.606 3.579 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503714335 1005485079 /nfs/dbraw/zinc/48/50/79/1005485079.db2.gz SHQKQQNBOCQMEX-UHFFFAOYSA-N 2 0 414.516 3.511 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000503950889 1005518036 /nfs/dbraw/zinc/51/80/36/1005518036.db2.gz DEGXQOXSUDTPJG-IBGZPJMESA-N 2 0 421.010 3.968 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000503957843 1005519276 /nfs/dbraw/zinc/51/92/76/1005519276.db2.gz AUJTVWAIAQSXAT-SFTDATJTSA-N 2 0 418.626 3.556 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H](C)O1 ZINC000531199467 1006042566 /nfs/dbraw/zinc/04/25/66/1006042566.db2.gz QMKVVFUKXCHNDZ-IYBDPMFKSA-N 2 0 421.383 3.818 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000531207584 1006047316 /nfs/dbraw/zinc/04/73/16/1006047316.db2.gz VXGZEVCHIZCOPL-UHFFFAOYSA-N 2 0 406.574 3.909 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000531222440 1006056241 /nfs/dbraw/zinc/05/62/41/1006056241.db2.gz FFYLTGUVTOKPHI-UHFFFAOYSA-N 2 0 406.574 3.729 20 0 HHADRP CCC(CC)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000531300491 1006103375 /nfs/dbraw/zinc/10/33/75/1006103375.db2.gz WMBDFAXTRWYCOI-QFQXNSOFSA-N 2 0 423.601 3.649 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000531303136 1006103753 /nfs/dbraw/zinc/10/37/53/1006103753.db2.gz KQLMCWKIRNTPNO-RXVVDRJESA-N 2 0 404.986 3.604 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000531315692 1006115737 /nfs/dbraw/zinc/11/57/37/1006115737.db2.gz IWZWGYIHDHVFEH-MOPGFXCFSA-N 2 0 404.942 3.672 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207382 1006200759 /nfs/dbraw/zinc/20/07/59/1006200759.db2.gz XAJNVNCZLRBBQW-WRWLIDTKSA-N 2 0 410.965 3.503 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000531453773 1006207004 /nfs/dbraw/zinc/20/70/04/1006207004.db2.gz GNYHHGNMQSTJFU-OFNKIYASSA-N 2 0 406.574 3.776 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234865 1006237360 /nfs/dbraw/zinc/23/73/60/1006237360.db2.gz HPXMCMLKKRIICK-UZLBHIALSA-N 2 0 410.965 3.646 20 0 HHADRP CC[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000534237286 1006242856 /nfs/dbraw/zinc/24/28/56/1006242856.db2.gz OIBVWQIHMNDGMY-JOCHJYFZSA-N 2 0 412.553 3.523 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000534264845 1006273082 /nfs/dbraw/zinc/27/30/82/1006273082.db2.gz CXRFYKYFHMLYRA-GHTZIAJQSA-N 2 0 403.929 3.964 20 0 HHADRP Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000531597608 1006296114 /nfs/dbraw/zinc/29/61/14/1006296114.db2.gz UDIACCIMIRVGAA-UHFFFAOYSA-N 2 0 408.590 3.871 20 0 HHADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000531848835 1006469827 /nfs/dbraw/zinc/46/98/27/1006469827.db2.gz HLEGCNSRDDITEI-LJQANCHMSA-N 2 0 413.997 3.634 20 0 HHADRP CN(c1ccccc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000531848834 1006470107 /nfs/dbraw/zinc/47/01/07/1006470107.db2.gz HLEGCNSRDDITEI-IBGZPJMESA-N 2 0 413.997 3.634 20 0 HHADRP COc1cccc([C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)N(C)C)c1 ZINC000531850966 1006472003 /nfs/dbraw/zinc/47/20/03/1006472003.db2.gz XSPBDLCKLMFQLE-VWLOTQADSA-N 2 0 410.606 3.618 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937044 1006531727 /nfs/dbraw/zinc/53/17/27/1006531727.db2.gz PWSBSRKCBFLEGF-IBGZPJMESA-N 2 0 406.574 3.560 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1cc(C)ccc1C ZINC000531941861 1006534627 /nfs/dbraw/zinc/53/46/27/1006534627.db2.gz KQGGPYQGKTYCLF-HXUWFJFHSA-N 2 0 418.589 3.795 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1C(F)(F)F ZINC000531960470 1006547528 /nfs/dbraw/zinc/54/75/28/1006547528.db2.gz OTLNTVGEGQMHCM-QGZVFWFLSA-N 2 0 407.484 3.748 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000531989509 1006564137 /nfs/dbraw/zinc/56/41/37/1006564137.db2.gz CBUZITCCJFKJRN-LJQANCHMSA-N 2 0 424.593 3.558 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2Cl)cc1 ZINC000532009784 1006573719 /nfs/dbraw/zinc/57/37/19/1006573719.db2.gz VIMLESHUUMDQLO-UHFFFAOYSA-N 2 0 424.770 3.684 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000532042572 1006596580 /nfs/dbraw/zinc/59/65/80/1006596580.db2.gz ZCBAKMPUWQEPJV-UHFFFAOYSA-N 2 0 417.601 3.796 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CCC3)cc1 ZINC000532195492 1006712970 /nfs/dbraw/zinc/71/29/70/1006712970.db2.gz NBRVHUORFWKJCD-HXUWFJFHSA-N 2 0 414.619 3.813 20 0 HHADRP C[NH+](C)Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)ccc1F ZINC000532222645 1006732400 /nfs/dbraw/zinc/73/24/00/1006732400.db2.gz ZMOADIHHCLJHTB-UHFFFAOYSA-N 2 0 403.929 3.935 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546762 1006810335 /nfs/dbraw/zinc/81/03/35/1006810335.db2.gz QGMDJYQVNZDZMB-SQJMNOBHSA-N 2 0 407.606 3.935 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000532394819 1006842238 /nfs/dbraw/zinc/84/22/38/1006842238.db2.gz VWAIMJHOONUARS-NHCUHLMSSA-N 2 0 414.638 3.905 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000538591030 1006858714 /nfs/dbraw/zinc/85/87/14/1006858714.db2.gz XCJIZCRUXLHKRO-NLFFAJNJSA-N 2 0 416.569 3.688 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000532446413 1006888563 /nfs/dbraw/zinc/88/85/63/1006888563.db2.gz YTTIQRPCDGLYRY-HXUWFJFHSA-N 2 0 409.574 3.836 20 0 HHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504388 1006944642 /nfs/dbraw/zinc/94/46/42/1006944642.db2.gz WKXVSBIFNDSDSU-JKSUJKDBSA-N 2 0 413.484 3.513 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233229 1006964961 /nfs/dbraw/zinc/96/49/61/1006964961.db2.gz RGZXZBSBIAUKNP-SVFBPWRDSA-N 2 0 415.626 3.625 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)c2)C1 ZINC000532567790 1006999558 /nfs/dbraw/zinc/99/95/58/1006999558.db2.gz MPXBJYVZIONMCE-GOSISDBHSA-N 2 0 423.454 3.832 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958838 1007003516 /nfs/dbraw/zinc/00/35/16/1007003516.db2.gz ISTJHCKZZIMTJH-MBOZVWFJSA-N 2 0 410.965 3.646 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963304 1007013955 /nfs/dbraw/zinc/01/39/55/1007013955.db2.gz YXZSTTQWPRUUBS-OXQOHEQNSA-N 2 0 410.965 3.646 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1)Cc1ccccc1 ZINC000538736677 1007019364 /nfs/dbraw/zinc/01/93/64/1007019364.db2.gz WEUAKVOVMWJMML-UHFFFAOYSA-N 2 0 404.558 3.628 20 0 HHADRP CCOc1cccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000538737671 1007020071 /nfs/dbraw/zinc/02/00/71/1007020071.db2.gz VGIKICPPHNHYNU-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534969825 1007024737 /nfs/dbraw/zinc/02/47/37/1007024737.db2.gz AQDVLZXSWXFOEP-NRFANRHFSA-N 2 0 412.553 3.551 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534978442 1007036910 /nfs/dbraw/zinc/03/69/10/1007036910.db2.gz AAVKOJXJFSXDLC-XMSQKQJNSA-N 2 0 412.553 3.740 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000534987228 1007045747 /nfs/dbraw/zinc/04/57/47/1007045747.db2.gz CDBJFWGZGWKIQA-OYRIPWCXSA-N 2 0 410.965 3.596 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000535036054 1007074990 /nfs/dbraw/zinc/07/49/90/1007074990.db2.gz JRRNIIFFYPLTHX-NHCUHLMSSA-N 2 0 406.574 3.728 20 0 HHADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000532763273 1007168155 /nfs/dbraw/zinc/16/81/55/1007168155.db2.gz XATPQLQFXICJRJ-CTNGQTDRSA-N 2 0 409.574 3.981 20 0 HHADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532779661 1007177911 /nfs/dbraw/zinc/17/79/11/1007177911.db2.gz AEXBJHKUIDWFSS-JOCHJYFZSA-N 2 0 413.997 3.706 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1)CC1CC1 ZINC000538914111 1007197739 /nfs/dbraw/zinc/19/77/39/1007197739.db2.gz USKZQTJGQRSCHU-QFIPXVFZSA-N 2 0 416.610 3.960 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1)CC1CC1 ZINC000538915923 1007200975 /nfs/dbraw/zinc/20/09/75/1007200975.db2.gz BBFPMJOSZGWDCR-QHCPKHFHSA-N 2 0 400.611 3.833 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516684499 1007231278 /nfs/dbraw/zinc/23/12/78/1007231278.db2.gz FLMUDSDCCDSELJ-SFHLNBCPSA-N 2 0 400.611 3.625 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000538956938 1007245532 /nfs/dbraw/zinc/24/55/32/1007245532.db2.gz CXSVCGKWLFSTCR-UHFFFAOYSA-N 2 0 421.589 3.570 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000538959018 1007248118 /nfs/dbraw/zinc/24/81/18/1007248118.db2.gz MSCGYLRJAVCPNJ-UHFFFAOYSA-N 2 0 409.578 3.639 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000535210470 1007259721 /nfs/dbraw/zinc/25/97/21/1007259721.db2.gz GQASQLWNWNLPRE-XMMPIXPASA-N 2 0 412.622 3.792 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532879445 1007263678 /nfs/dbraw/zinc/26/36/78/1007263678.db2.gz ISUYBGXKCWBBMG-FQEVSTJZSA-N 2 0 400.954 3.799 20 0 HHADRP CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538980390 1007272828 /nfs/dbraw/zinc/27/28/28/1007272828.db2.gz OTUICPGOVBZPCK-DEOSSOPVSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000535232490 1007285984 /nfs/dbraw/zinc/28/59/84/1007285984.db2.gz CTOSXSNFFJTCLC-INIZCTEOSA-N 2 0 423.424 3.764 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539038644 1007336662 /nfs/dbraw/zinc/33/66/62/1007336662.db2.gz HXYKXGDMTDKHEB-MRXNPFEDSA-N 2 0 416.953 3.967 20 0 HHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042251 1007339295 /nfs/dbraw/zinc/33/92/95/1007339295.db2.gz WWVRGNZAWOHYLZ-MBSDFSHPSA-N 2 0 415.603 3.563 20 0 HHADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042249 1007339923 /nfs/dbraw/zinc/33/99/23/1007339923.db2.gz WWVRGNZAWOHYLZ-JPYJTQIMSA-N 2 0 415.603 3.563 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)c(C)c2c1 ZINC000539074029 1007364895 /nfs/dbraw/zinc/36/48/95/1007364895.db2.gz STLUTFUVWCFANK-QGZVFWFLSA-N 2 0 409.530 3.892 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119367 1007464700 /nfs/dbraw/zinc/46/47/00/1007464700.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 2 0 420.601 3.711 20 0 HHADRP Cc1[nH]nc2ncc(C[NH2+]CCc3ccc(OCC[N@H+]4C[C@H](C)[C@H](C)C4)cc3)cc12 ZINC000539223361 1007516118 /nfs/dbraw/zinc/51/61/18/1007516118.db2.gz DKWPOYVLAVBSHD-HDICACEKSA-N 2 0 407.562 3.565 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539306337 1007603866 /nfs/dbraw/zinc/60/38/66/1007603866.db2.gz SHIOUOGQAGKQED-DNVCBOLYSA-N 2 0 412.441 3.849 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000539307490 1007605603 /nfs/dbraw/zinc/60/56/03/1007605603.db2.gz ZSTYWYAOTBEQFM-KUHUBIRLSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000539310760 1007609381 /nfs/dbraw/zinc/60/93/81/1007609381.db2.gz KVODBEUJCKOWLB-YRPNKDGESA-N 2 0 418.601 3.511 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000539312174 1007611043 /nfs/dbraw/zinc/61/10/43/1007611043.db2.gz IOSYRKRVNQUALD-GOSISDBHSA-N 2 0 416.585 3.552 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539377103 1007682330 /nfs/dbraw/zinc/68/23/30/1007682330.db2.gz LAHZGGCVPVMQHA-HFMPRLQTSA-N 2 0 420.601 3.717 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000535673454 1007693990 /nfs/dbraw/zinc/69/39/90/1007693990.db2.gz ZAFXAWVWZQGOGR-DYESRHJHSA-N 2 0 418.582 3.831 20 0 HHADRP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535674175 1007696298 /nfs/dbraw/zinc/69/62/98/1007696298.db2.gz CHVBCRXKSUIVFV-DEOSSOPVSA-N 2 0 403.570 3.994 20 0 HHADRP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535678872 1007705271 /nfs/dbraw/zinc/70/52/71/1007705271.db2.gz DIOXSPXQFDEDRX-UHFFFAOYSA-N 2 0 409.549 3.772 20 0 HHADRP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000533412096 1007719069 /nfs/dbraw/zinc/71/90/69/1007719069.db2.gz GDPHJUJHCAUJAN-UHFFFAOYSA-N 2 0 422.573 3.796 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724280 /nfs/dbraw/zinc/72/42/80/1007724280.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 2 0 422.658 3.754 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000535703629 1007742456 /nfs/dbraw/zinc/74/24/56/1007742456.db2.gz BREBEWORYHLGLC-UHFFFAOYSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542301 1007758832 /nfs/dbraw/zinc/75/88/32/1007758832.db2.gz OVSCAYMHELSDIT-BWKNWUBXSA-N 2 0 420.601 3.828 20 0 HHADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496409 1007807650 /nfs/dbraw/zinc/80/76/50/1007807650.db2.gz MDZPWVGFJVYRAM-GOTSBHOMSA-N 2 0 402.579 3.614 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613012 1007817128 /nfs/dbraw/zinc/81/71/28/1007817128.db2.gz RBUVQXTYDFFTIR-OFNKIYASSA-N 2 0 401.595 3.847 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)CC1 ZINC000533517668 1007837077 /nfs/dbraw/zinc/83/70/77/1007837077.db2.gz QHNMJHVWCJFITL-DEOSSOPVSA-N 2 0 408.590 3.720 20 0 HHADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517636717 1007845868 /nfs/dbraw/zinc/84/58/68/1007845868.db2.gz FRDVLCNZOQILAV-QGZVFWFLSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578673 1007881930 /nfs/dbraw/zinc/88/19/30/1007881930.db2.gz GVLCJEJTLNGUFM-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539615478 1007930812 /nfs/dbraw/zinc/93/08/12/1007930812.db2.gz FUNGEHBLXXUMOQ-SFTDATJTSA-N 2 0 422.976 3.929 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731799 1007935490 /nfs/dbraw/zinc/93/54/90/1007935490.db2.gz VQDAWEYIWAWVJH-FPOVZHCZSA-N 2 0 410.562 3.721 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942093 1007973986 /nfs/dbraw/zinc/97/39/86/1007973986.db2.gz FTTBULVVPPTDIE-GBXCKJPGSA-N 2 0 412.622 3.792 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000517899069 1008045441 /nfs/dbraw/zinc/04/54/41/1008045441.db2.gz GTJWQKFPVHZJIG-LJQANCHMSA-N 2 0 420.001 3.574 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015547 1008055677 /nfs/dbraw/zinc/05/56/77/1008055677.db2.gz WKKQHUXVTNVWEY-RUZDIDTESA-N 2 0 422.617 3.713 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](c4nccn4C)C3)cc2)C1 ZINC000533768226 1008093822 /nfs/dbraw/zinc/09/38/22/1008093822.db2.gz SGFUWHMSBURWRK-WOIUINJBSA-N 2 0 409.578 3.597 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016667 1008105661 /nfs/dbraw/zinc/10/56/61/1008105661.db2.gz OEKRJUQMMSRXAF-NFBKMPQASA-N 2 0 414.594 3.538 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824223 1008119366 /nfs/dbraw/zinc/11/93/66/1008119366.db2.gz DRGODZXMZJICOI-YKSBVNFPSA-N 2 0 423.601 3.829 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518064980 1008139936 /nfs/dbraw/zinc/13/99/36/1008139936.db2.gz SZDLKNYFTHCJII-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000539863344 1008148510 /nfs/dbraw/zinc/14/85/10/1008148510.db2.gz WLYUYFRYZFPLIV-RTBURBONSA-N 2 0 412.578 3.797 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094720 1008156179 /nfs/dbraw/zinc/15/61/79/1008156179.db2.gz UYLITJKGQZHJQZ-FYYLOGMGSA-N 2 0 416.610 3.738 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000539950547 1008201863 /nfs/dbraw/zinc/20/18/63/1008201863.db2.gz OFLWQXPHLCPRCP-GOSISDBHSA-N 2 0 416.972 3.847 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000518271593 1008234963 /nfs/dbraw/zinc/23/49/63/1008234963.db2.gz BCXFWDRJCRYZLR-UHFFFAOYSA-N 2 0 406.368 3.825 20 0 HHADRP C[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000540017380 1008239711 /nfs/dbraw/zinc/23/97/11/1008239711.db2.gz YSLJYQXBZBQXSK-VQTJNVASSA-N 2 0 401.599 3.592 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000540046865 1008256144 /nfs/dbraw/zinc/25/61/44/1008256144.db2.gz GBPJYPGGNIDWLS-HSZRJFAPSA-N 2 0 421.589 3.648 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1)CC1CC1 ZINC000540047051 1008256600 /nfs/dbraw/zinc/25/66/00/1008256600.db2.gz MNERIMCBDPSHDR-UHFFFAOYSA-N 2 0 422.617 3.887 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000518451161 1008312873 /nfs/dbraw/zinc/31/28/73/1008312873.db2.gz OOVIZUKMBTZEOX-NJDAHSKKSA-N 2 0 400.611 3.696 20 0 HHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000540169084 1008320138 /nfs/dbraw/zinc/32/01/38/1008320138.db2.gz JVEXGFNJXSDNFX-XMMPIXPASA-N 2 0 407.558 3.688 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000540169564 1008320331 /nfs/dbraw/zinc/32/03/31/1008320331.db2.gz LQSQICNNOLRAKY-HNNXBMFYSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(I)cc1 ZINC000540170654 1008320896 /nfs/dbraw/zinc/32/08/96/1008320896.db2.gz ITAXYVCEYPTCBY-OAGGEKHMSA-N 2 0 416.347 3.831 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175118 1008323051 /nfs/dbraw/zinc/32/30/51/1008323051.db2.gz HGYWVWXYLVSIRN-OXQOHEQNSA-N 2 0 401.938 3.737 20 0 HHADRP COc1ccc(Br)cc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000518777702 1008418080 /nfs/dbraw/zinc/41/80/80/1008418080.db2.gz PVRRFQZDYMJDSN-UHFFFAOYSA-N 2 0 407.352 3.730 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000540407015 1008419776 /nfs/dbraw/zinc/41/97/76/1008419776.db2.gz DVTLSNQLOTVSBZ-MOPGFXCFSA-N 2 0 406.590 3.652 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@@H]1C ZINC000540473130 1008445331 /nfs/dbraw/zinc/44/53/31/1008445331.db2.gz VIZXYETYFWVNGJ-SFTDATJTSA-N 2 0 423.601 3.687 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507899 1008460527 /nfs/dbraw/zinc/46/05/27/1008460527.db2.gz RHNLRLKVKSOWFJ-GMAHTHKFSA-N 2 0 419.569 3.613 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000518926740 1008475515 /nfs/dbraw/zinc/47/55/15/1008475515.db2.gz NTPCOSGKNUQBTE-VAMGGRTRSA-N 2 0 411.512 3.683 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000542978674 1008554200 /nfs/dbraw/zinc/55/42/00/1008554200.db2.gz GPFBXCHITZDSPO-UHFFFAOYSA-N 2 0 406.590 3.931 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000545448725 1008561929 /nfs/dbraw/zinc/56/19/29/1008561929.db2.gz XTKTXWRUXPVVAK-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543069146 1008646409 /nfs/dbraw/zinc/64/64/09/1008646409.db2.gz IUHVKSMPWXFBGB-QRVBRYPASA-N 2 0 414.594 3.710 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3c(Br)cccc32)ccn1 ZINC000543113685 1008686288 /nfs/dbraw/zinc/68/62/88/1008686288.db2.gz AFBSRMYTWPVFJE-IBGZPJMESA-N 2 0 404.352 3.952 20 0 HHADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000545593074 1008693286 /nfs/dbraw/zinc/69/32/86/1008693286.db2.gz GYINRRGNTSAKEX-PGRDOPGGSA-N 2 0 400.538 3.759 20 0 HHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000549142741 1008711285 /nfs/dbraw/zinc/71/12/85/1008711285.db2.gz NZXSLGLNOQQYPL-DQEYMECFSA-N 2 0 421.585 3.705 20 0 HHADRP C[NH+]1CCCC[C@H]1CC[NH+]1CCCC2(CCCN(CC[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000519481708 1008854750 /nfs/dbraw/zinc/85/47/50/1008854750.db2.gz WRJPVZYMHCDOJZ-JWDFLIAJSA-N 3 0 404.687 3.913 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490461 1008862440 /nfs/dbraw/zinc/86/24/40/1008862440.db2.gz DSNCLPMGVBIEKW-PMACEKPBSA-N 2 0 406.640 3.914 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)CC3 ZINC000545899974 1008986271 /nfs/dbraw/zinc/98/62/71/1008986271.db2.gz ZNZCMWCTIXRHCV-LJQANCHMSA-N 2 0 407.558 3.807 20 0 HHADRP Cc1cc(NC(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000549423309 1009012323 /nfs/dbraw/zinc/01/23/23/1009012323.db2.gz OYQQILHTCGIWEC-SQWHNCPASA-N 2 0 416.953 4.169 20 0 HHADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000545952769 1009015106 /nfs/dbraw/zinc/01/51/06/1009015106.db2.gz BSOCVFSKBYADEH-KTBYTZPXSA-N 2 0 408.590 3.899 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000519935186 1009089972 /nfs/dbraw/zinc/08/99/72/1009089972.db2.gz OFFCTHAEUDSNRS-HSZRJFAPSA-N 2 0 424.589 3.783 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)CC1 ZINC000543617709 1009223748 /nfs/dbraw/zinc/22/37/48/1009223748.db2.gz AVRCWRLZZVMZRO-UHFFFAOYSA-N 2 0 417.601 3.875 20 0 HHADRP C[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000543619045 1009224471 /nfs/dbraw/zinc/22/44/71/1009224471.db2.gz XLSJFTWIHVYXMM-SFHVURJKSA-N 2 0 408.428 3.902 20 0 HHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000549610093 1009237447 /nfs/dbraw/zinc/23/74/47/1009237447.db2.gz BIJLWJWZUKFCEG-GOTSBHOMSA-N 2 0 413.606 3.708 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000543650280 1009254422 /nfs/dbraw/zinc/25/44/22/1009254422.db2.gz MKQUCOQCPNMUSF-KRWDZBQOSA-N 2 0 407.002 3.676 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000520149567 1009300483 /nfs/dbraw/zinc/30/04/83/1009300483.db2.gz KZBVKZPCFMXTLB-VWLOTQADSA-N 2 0 418.585 3.822 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(-c2cnn(C)c2)c1 ZINC000520198513 1009337483 /nfs/dbraw/zinc/33/74/83/1009337483.db2.gz NEMBCUQQLZCPSC-XMMPIXPASA-N 2 0 404.558 3.642 20 0 HHADRP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520264670 1009381220 /nfs/dbraw/zinc/38/12/20/1009381220.db2.gz WVMABWWYZBLDSV-HSZRJFAPSA-N 2 0 412.622 3.505 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520299836 1009425025 /nfs/dbraw/zinc/42/50/25/1009425025.db2.gz WUAPGXQDCGXHQA-HSZRJFAPSA-N 2 0 400.611 3.894 20 0 HHADRP CCO[C@@H]1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859940 1009425859 /nfs/dbraw/zinc/42/58/59/1009425859.db2.gz KURIAZDCAZAZHE-FNAHDJPLSA-N 2 0 420.638 3.562 20 0 HHADRP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000549839860 1009453570 /nfs/dbraw/zinc/45/35/70/1009453570.db2.gz ALWSAEWCOVFYQA-NXCFDTQHSA-N 2 0 408.586 3.880 20 0 HHADRP C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543907597 1009492591 /nfs/dbraw/zinc/49/25/91/1009492591.db2.gz RODPMAOVYUUYMZ-JFEYHLPQSA-N 2 0 420.644 3.941 20 0 HHADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000544008253 1009609387 /nfs/dbraw/zinc/60/93/87/1009609387.db2.gz ODOHBNSKFYUROJ-QGZVFWFLSA-N 2 0 423.527 3.955 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000546619494 1009632532 /nfs/dbraw/zinc/63/25/32/1009632532.db2.gz WVGMEXNPRCAGIO-FGTMMUONSA-N 2 0 407.986 3.561 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000546718730 1009698930 /nfs/dbraw/zinc/69/89/30/1009698930.db2.gz RQAUKLGVGCTCOT-QHCPKHFHSA-N 2 0 408.590 3.879 20 0 HHADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+]1CCCC1 ZINC000520710331 1009777613 /nfs/dbraw/zinc/77/76/13/1009777613.db2.gz NIAAMYZQHDIQHS-SFHVURJKSA-N 2 0 407.002 3.583 20 0 HHADRP Cc1cccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189722 1009792702 /nfs/dbraw/zinc/79/27/02/1009792702.db2.gz JKRJULNKWFJHAK-XUZZJYLKSA-N 2 0 405.586 3.954 20 0 HHADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000520733351 1009801769 /nfs/dbraw/zinc/80/17/69/1009801769.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 2 0 409.496 3.574 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000520764671 1009834191 /nfs/dbraw/zinc/83/41/91/1009834191.db2.gz ZJUDDNFNTBCQPJ-IBGZPJMESA-N 2 0 424.564 3.536 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000544360993 1009988616 /nfs/dbraw/zinc/98/86/16/1009988616.db2.gz YDFTZYDKAUVSAK-QHCPKHFHSA-N 2 0 412.553 3.526 20 0 HHADRP Cc1n[nH]c(C)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000520952506 1010002773 /nfs/dbraw/zinc/00/27/73/1010002773.db2.gz XPEOYWXWQPSIST-UHFFFAOYSA-N 2 0 409.500 3.737 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993926 1010033221 /nfs/dbraw/zinc/03/32/21/1010033221.db2.gz DEFUJASJVDLRKI-PZJWPPBQSA-N 2 0 401.526 3.830 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000521068665 1010085547 /nfs/dbraw/zinc/08/55/47/1010085547.db2.gz DXTMVNXVLHNHJE-UHFFFAOYSA-N 2 0 410.553 3.693 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550785194 1010174467 /nfs/dbraw/zinc/17/44/67/1010174467.db2.gz PPLSFDUXZZWWMU-RDJZCZTQSA-N 2 0 407.377 3.854 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521179973 1010212787 /nfs/dbraw/zinc/21/27/87/1010212787.db2.gz HTTXULDKDJMTQH-UHFFFAOYSA-N 2 0 422.617 3.699 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000547325950 1010253400 /nfs/dbraw/zinc/25/34/00/1010253400.db2.gz KHOKHACHCNVAQN-FQEVSTJZSA-N 2 0 401.595 3.568 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505271 1010331677 /nfs/dbraw/zinc/33/16/77/1010331677.db2.gz LNMLWCNHTLXHQR-OOICKAIWSA-N 2 0 408.590 3.695 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000547538275 1010344158 /nfs/dbraw/zinc/34/41/58/1010344158.db2.gz COOICXDVSXBBPG-HSZRJFAPSA-N 2 0 400.611 3.659 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000521384642 1010347808 /nfs/dbraw/zinc/34/78/08/1010347808.db2.gz DQKMEHDPQSRVTI-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521533582 1010444443 /nfs/dbraw/zinc/44/44/43/1010444443.db2.gz JZBFZHTWOANRDD-QHCPKHFHSA-N 2 0 423.576 3.861 20 0 HHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000551263953 1010480429 /nfs/dbraw/zinc/48/04/29/1010480429.db2.gz HFTZRZVQBRQMLH-FQEVSTJZSA-N 2 0 407.624 3.778 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000521687389 1010551958 /nfs/dbraw/zinc/55/19/58/1010551958.db2.gz PIXZXEPFBAJRMQ-GOSISDBHSA-N 2 0 410.553 3.693 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(Br)cs2)[C@H](c2ccccc2)C1 ZINC000521819401 1010639745 /nfs/dbraw/zinc/63/97/45/1010639745.db2.gz DOMQQPXDDOATMP-IBGZPJMESA-N 2 0 408.409 3.979 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487169 1010643325 /nfs/dbraw/zinc/64/33/25/1010643325.db2.gz BBYHXRGQHIOTBL-NZJKTDFXSA-N 3 0 407.602 3.644 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000551570492 1010669016 /nfs/dbraw/zinc/66/90/16/1010669016.db2.gz FLKXRZOCWYKJPX-SFHVURJKSA-N 2 0 411.546 3.675 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000545205233 1010682905 /nfs/dbraw/zinc/68/29/05/1010682905.db2.gz JZZFXFCGFUSMNK-UHFFFAOYSA-N 2 0 422.013 3.559 20 0 HHADRP COc1cccc(C2CC[NH+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000548731642 1010717127 /nfs/dbraw/zinc/71/71/27/1010717127.db2.gz XMTSHIHJTOSNLN-UHFFFAOYSA-N 2 0 421.585 3.787 20 0 HHADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000545306956 1010724668 /nfs/dbraw/zinc/72/46/68/1010724668.db2.gz AFRMZMYETUPBBV-KRWDZBQOSA-N 2 0 411.571 3.625 20 0 HHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000521938532 1010726122 /nfs/dbraw/zinc/72/61/22/1010726122.db2.gz HZIORTVLRZMQIX-TZIWHRDSSA-N 2 0 401.526 3.986 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000521959590 1010737730 /nfs/dbraw/zinc/73/77/30/1010737730.db2.gz JPCAAXBMRYIMCG-HXUWFJFHSA-N 2 0 401.599 3.605 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)([NH+](C)C)C1 ZINC000521994667 1010753769 /nfs/dbraw/zinc/75/37/69/1010753769.db2.gz BZXKLIFRIWRISE-GCJKJVERSA-N 2 0 406.640 3.770 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)([NH+](C)C)C1 ZINC000521994666 1010754045 /nfs/dbraw/zinc/75/40/45/1010754045.db2.gz BZXKLIFRIWRISE-AVRDEDQJSA-N 2 0 406.640 3.770 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000521999894 1010754488 /nfs/dbraw/zinc/75/44/88/1010754488.db2.gz NJAMNZUYTDLOCV-RTBURBONSA-N 2 0 406.640 3.627 20 0 HHADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387620 1010768116 /nfs/dbraw/zinc/76/81/16/1010768116.db2.gz ZKXOZWMGFJKNMT-UZLBHIALSA-N 2 0 420.479 3.979 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCC(c2ccccc2)CC1 ZINC000522126940 1010824868 /nfs/dbraw/zinc/82/48/68/1010824868.db2.gz WXYQUVWNNMQVNI-UHFFFAOYSA-N 2 0 421.589 3.619 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1F ZINC000522392485 1010976405 /nfs/dbraw/zinc/97/64/05/1010976405.db2.gz LPVDATUULLPKRL-UHFFFAOYSA-N 2 0 412.553 3.873 20 0 HHADRP CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000522725806 1011179437 /nfs/dbraw/zinc/17/94/37/1011179437.db2.gz MGWZAUNXLXMCBA-LJQANCHMSA-N 2 0 413.541 3.526 20 0 HHADRP CC1(C)CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000522742550 1011189254 /nfs/dbraw/zinc/18/92/54/1011189254.db2.gz QEUUPFURXKHIFK-QHCPKHFHSA-N 2 0 421.589 3.706 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4ccc(Br)cc43)ccn2)CC1 ZINC000536150669 1011275718 /nfs/dbraw/zinc/27/57/18/1011275718.db2.gz KMIROFIALBBQAX-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000536157606 1011283766 /nfs/dbraw/zinc/28/37/66/1011283766.db2.gz HMFGEXWDYQGWJU-SFHVURJKSA-N 2 0 416.635 3.629 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536162101 1011290539 /nfs/dbraw/zinc/29/05/39/1011290539.db2.gz ZLMNBKFOHHRCAU-CTUHWIOQSA-N 2 0 406.574 3.957 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536162105 1011290863 /nfs/dbraw/zinc/29/08/63/1011290863.db2.gz ZLMNBKFOHHRCAU-VEXUSMLFSA-N 2 0 406.574 3.957 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522852084 1011291510 /nfs/dbraw/zinc/29/15/10/1011291510.db2.gz BKJPMSWWNPFIEG-OAQYLSRUSA-N 2 0 400.526 3.542 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522886793 1011333008 /nfs/dbraw/zinc/33/30/08/1011333008.db2.gz LZLDOEJOESXYPM-HSZRJFAPSA-N 2 0 400.611 3.601 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204433 1011349163 /nfs/dbraw/zinc/34/91/63/1011349163.db2.gz PTKDWHNELLROKK-HJOGWXRNSA-N 2 0 422.573 3.577 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132271 1011600810 /nfs/dbraw/zinc/60/08/10/1011600810.db2.gz WTFOIISUHXWVBB-XMMPIXPASA-N 2 0 408.590 3.639 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536520888 1011712171 /nfs/dbraw/zinc/71/21/71/1011712171.db2.gz NKJPKHWBZJIOPZ-UHFFFAOYSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536593944 1011756768 /nfs/dbraw/zinc/75/67/68/1011756768.db2.gz URZYSUHEJUVBAL-NRFANRHFSA-N 2 0 415.626 3.842 20 0 HHADRP CCOCc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000536663809 1011814703 /nfs/dbraw/zinc/81/47/03/1011814703.db2.gz WSIKFPZBJXSFDR-BGYRXZFFSA-N 2 0 404.595 3.943 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000541163861 1011830162 /nfs/dbraw/zinc/83/01/62/1011830162.db2.gz WQRRKAUQFTXCDH-UHFFFAOYSA-N 2 0 400.611 3.967 20 0 HHADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711493 1011883360 /nfs/dbraw/zinc/88/33/60/1011883360.db2.gz ZYBRHPGWOIGQQC-NFBKMPQASA-N 2 0 404.618 3.908 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523433283 1011922828 /nfs/dbraw/zinc/92/28/28/1011922828.db2.gz LLBGSWHOOWGLDE-NUYKZFOBSA-N 2 0 410.606 3.842 20 0 HHADRP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000523450198 1011949436 /nfs/dbraw/zinc/94/94/36/1011949436.db2.gz LUJWZKFLCREMEX-INIZCTEOSA-N 2 0 412.347 3.867 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000536762186 1011959331 /nfs/dbraw/zinc/95/93/31/1011959331.db2.gz KOOKPSLPNLZPCH-REWPJTCUSA-N 2 0 421.589 3.650 20 0 HHADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816790 1011974052 /nfs/dbraw/zinc/97/40/52/1011974052.db2.gz LDOQJGBVHCXOIB-GOSISDBHSA-N 2 0 411.546 3.675 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835139 1012066147 /nfs/dbraw/zinc/06/61/47/1012066147.db2.gz VZPWTNMSGRUYRR-NHCUHLMSSA-N 2 0 421.651 3.880 20 0 HHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057390 1012074127 /nfs/dbraw/zinc/07/41/27/1012074127.db2.gz RQCAQRCPTFALRR-XWGVYQGASA-N 2 0 405.590 3.726 20 0 HHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057388 1012075274 /nfs/dbraw/zinc/07/52/74/1012075274.db2.gz RQCAQRCPTFALRR-QPTUXGOLSA-N 2 0 405.590 3.726 20 0 HHADRP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC000552062815 1012080956 /nfs/dbraw/zinc/08/09/56/1012080956.db2.gz HGDOXANROSYWSO-TZRRMPRUSA-N 2 0 424.610 3.797 20 0 HHADRP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC000552062814 1012081466 /nfs/dbraw/zinc/08/14/66/1012081466.db2.gz HGDOXANROSYWSO-RBZQAINGSA-N 2 0 424.610 3.797 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855972 1012087903 /nfs/dbraw/zinc/08/79/03/1012087903.db2.gz DAAWMXWAPNAVGM-OWCLPIDISA-N 2 0 416.347 3.831 20 0 HHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)c3cccc(Br)c3)CC2)C1 ZINC000536869150 1012108917 /nfs/dbraw/zinc/10/89/17/1012108917.db2.gz IXZNTDGLMHSBMX-OXJNMPFZSA-N 2 0 422.411 3.812 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131232 /nfs/dbraw/zinc/13/12/32/1012131232.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 2 0 407.549 3.628 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131871 /nfs/dbraw/zinc/13/18/71/1012131871.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 2 0 407.549 3.628 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000541434350 1012188500 /nfs/dbraw/zinc/18/85/00/1012188500.db2.gz SDQZJDMGMBHLIY-QHCPKHFHSA-N 2 0 421.585 3.549 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+]2CCCC2)o1 ZINC000523644470 1012235893 /nfs/dbraw/zinc/23/58/93/1012235893.db2.gz JTXLZIJFKULZNL-NRFANRHFSA-N 2 0 416.541 3.637 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523667689 1012264329 /nfs/dbraw/zinc/26/43/29/1012264329.db2.gz SSPUFHUGLIRWDT-DEOSSOPVSA-N 2 0 406.574 3.596 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297624 1012308810 /nfs/dbraw/zinc/30/88/10/1012308810.db2.gz CKFFARKKXPNTCO-WIYBCGNWSA-N 2 0 408.546 3.667 20 0 HHADRP Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(OCC[NH+]4C[C@@H](C)[C@H](C)C4)cc3)cc12 ZINC000537024018 1012333104 /nfs/dbraw/zinc/33/31/04/1012333104.db2.gz UMZSGVBGWZBCSF-RTBURBONSA-N 2 0 421.589 3.576 20 0 HHADRP CN1CC[NH+](CCCCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000552352301 1012361593 /nfs/dbraw/zinc/36/15/93/1012361593.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 2 0 415.626 3.600 20 0 HHADRP CC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000541574566 1012363773 /nfs/dbraw/zinc/36/37/73/1012363773.db2.gz CHILCMPBLQQPJD-RUZDIDTESA-N 2 0 419.613 3.970 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578530 1012368990 /nfs/dbraw/zinc/36/89/90/1012368990.db2.gz RHHZWLBHSPAWBE-NHCUHLMSSA-N 2 0 402.966 3.842 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000552404953 1012418575 /nfs/dbraw/zinc/41/85/75/1012418575.db2.gz SBWHTBCUKAJLIV-HXUWFJFHSA-N 2 0 419.491 3.661 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000523776823 1012420676 /nfs/dbraw/zinc/42/06/76/1012420676.db2.gz SWCWBDPAZVUSET-KRWDZBQOSA-N 2 0 400.542 3.816 20 0 HHADRP CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000537108658 1012480072 /nfs/dbraw/zinc/48/00/72/1012480072.db2.gz DGRHKEVLUMNGQD-SFHVURJKSA-N 2 0 412.553 3.819 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000537108958 1012482368 /nfs/dbraw/zinc/48/23/68/1012482368.db2.gz RLSJROFRMJCSQP-OALUTQOASA-N 2 0 412.553 3.954 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000523866578 1012563634 /nfs/dbraw/zinc/56/36/34/1012563634.db2.gz QXAFRYIQENXDFH-NRFANRHFSA-N 2 0 420.601 3.960 20 0 HHADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745288 1012602510 /nfs/dbraw/zinc/60/25/10/1012602510.db2.gz YNKREKLRMWCZKL-GOTSBHOMSA-N 2 0 400.588 3.931 20 0 HHADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)sc1Br ZINC000541762092 1012624448 /nfs/dbraw/zinc/62/44/48/1012624448.db2.gz FOTTVPLIAGISCU-UHFFFAOYSA-N 2 0 400.430 3.669 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000523939328 1012672682 /nfs/dbraw/zinc/67/26/82/1012672682.db2.gz JASJTFQCUNSPOP-PMACEKPBSA-N 2 0 414.550 3.844 20 0 HHADRP C[N@H+]1CC=C(CNC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000537270855 1012724195 /nfs/dbraw/zinc/72/41/95/1012724195.db2.gz QIIUHSBWBNRUDT-UHFFFAOYSA-N 2 0 406.574 3.640 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915051 1012772720 /nfs/dbraw/zinc/77/27/20/1012772720.db2.gz WDWZPEPKNKLPSQ-UWJYYQICSA-N 2 0 407.558 3.724 20 0 HHADRP CC[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000552780866 1012785154 /nfs/dbraw/zinc/78/51/54/1012785154.db2.gz UPPGTZIXMZNNNV-DEOSSOPVSA-N 2 0 409.574 3.686 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000552780774 1012785522 /nfs/dbraw/zinc/78/55/22/1012785522.db2.gz OZPZBDMXYFEGLC-UHFFFAOYSA-N 2 0 421.585 3.688 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000552782617 1012787959 /nfs/dbraw/zinc/78/79/59/1012787959.db2.gz WPPSHPZBCQFHJC-HSZRJFAPSA-N 2 0 421.585 3.688 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(c4nccs4)CC3)CC2)c1 ZINC000541933062 1012794838 /nfs/dbraw/zinc/79/48/38/1012794838.db2.gz VMONRQKLZFYUJL-UHFFFAOYSA-N 2 0 413.635 3.612 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001670852593 1071785711 /nfs/dbraw/zinc/78/57/11/1071785711.db2.gz NLGMAOJVKJHFQL-OAHLLOKOSA-N 2 0 419.517 3.573 20 0 HHADRP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001168271197 1072021820 /nfs/dbraw/zinc/02/18/20/1072021820.db2.gz GMDHWWUUQGIMDC-DGWZTRNLSA-N 2 0 410.602 3.623 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000570252248 1072211717 /nfs/dbraw/zinc/21/17/17/1072211717.db2.gz YHIXURGALVITLR-LNEBKTTKSA-N 2 0 424.585 3.783 20 0 HHADRP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168318884 1072497201 /nfs/dbraw/zinc/49/72/01/1072497201.db2.gz HQIHEBHEMXKGEU-BAWHURIHSA-N 2 0 406.574 3.799 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000586934159 1072503769 /nfs/dbraw/zinc/50/37/69/1072503769.db2.gz RYARGWZQVRUZSN-HSZRJFAPSA-N 2 0 424.589 3.936 20 0 HHADRP Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323444 1072504322 /nfs/dbraw/zinc/50/43/22/1072504322.db2.gz ZMZZMGOOKIZCNK-MXXWWZHRSA-N 2 0 401.595 3.651 20 0 HHADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CCC2 ZINC001168343424 1072523776 /nfs/dbraw/zinc/52/37/76/1072523776.db2.gz TYTVXVICGUQONU-UHFFFAOYSA-N 2 0 414.981 3.890 20 0 HHADRP COc1cccc([C@@H]2CC(=O)N(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000760537865 1072562475 /nfs/dbraw/zinc/56/24/75/1072562475.db2.gz KFZCPDKCKQNZBH-JOCHJYFZSA-N 2 0 422.573 3.602 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571328347 1072603877 /nfs/dbraw/zinc/60/38/77/1072603877.db2.gz LHSRQWAKACXPOP-RHSMWYFYSA-N 2 0 409.596 3.579 20 0 HHADRP O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168379066 1072656377 /nfs/dbraw/zinc/65/63/77/1072656377.db2.gz BWFRJGIALZBXEV-DEOSSOPVSA-N 2 0 407.602 3.937 20 0 HHADRP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](C4CC[NH+](CC5CC5)CC4)C3)C2)c1 ZINC001168379276 1072657038 /nfs/dbraw/zinc/65/70/38/1072657038.db2.gz GJFDETPREUBODW-DEOSSOPVSA-N 2 0 401.570 3.619 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000479389690 1072801860 /nfs/dbraw/zinc/80/18/60/1072801860.db2.gz KOGINHXBTQYKRC-XEVCZEQESA-N 2 0 407.624 3.645 20 0 HHADRP Cc1nc2cccc(Cl)c2cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001142612861 1073012576 /nfs/dbraw/zinc/01/25/76/1073012576.db2.gz DGQZFWIMOSOBKN-UHFFFAOYSA-N 2 0 423.948 3.534 20 0 HHADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588710733 1073157048 /nfs/dbraw/zinc/15/70/48/1073157048.db2.gz VJRIPXZXYBUSSA-VXKWHMMOSA-N 2 0 415.622 3.555 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000555113350 1073169269 /nfs/dbraw/zinc/16/92/69/1073169269.db2.gz YCUMDEJTAIARJJ-HXUWFJFHSA-N 2 0 415.969 3.827 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000588770602 1073202177 /nfs/dbraw/zinc/20/21/77/1073202177.db2.gz UPOMRSPTXMRWCI-JOCHJYFZSA-N 2 0 415.626 3.913 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccc21 ZINC000555236484 1073269551 /nfs/dbraw/zinc/26/95/51/1073269551.db2.gz YISNDSGOLPGZBJ-DSNGMDLFSA-N 2 0 421.585 3.747 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000555318701 1073330904 /nfs/dbraw/zinc/33/09/04/1073330904.db2.gz IBYMFFZLMFCROP-KXXHFCIOSA-N 2 0 402.966 3.826 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555335591 1073360640 /nfs/dbraw/zinc/36/06/40/1073360640.db2.gz PYNFJJIFJKXKIH-KDURUIRLSA-N 2 0 411.594 3.595 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000589998734 1073439537 /nfs/dbraw/zinc/43/95/37/1073439537.db2.gz CVWKOBUDHUNZCS-UHFFFAOYSA-N 2 0 405.542 3.517 20 0 HHADRP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc(OC)c1 ZINC000555611971 1073675283 /nfs/dbraw/zinc/67/52/83/1073675283.db2.gz FVTWTBWSFYPWHK-QFIPXVFZSA-N 2 0 410.558 3.722 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000591076403 1074099122 /nfs/dbraw/zinc/09/91/22/1074099122.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 2 0 409.574 3.802 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591078494 1074099996 /nfs/dbraw/zinc/09/99/96/1074099996.db2.gz NCLWXFYWRHHVKK-HXUWFJFHSA-N 2 0 401.595 3.792 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542081 1074377337 /nfs/dbraw/zinc/37/73/37/1074377337.db2.gz VMYIKPOHVYOFSA-WOJBJXKFSA-N 2 0 404.624 3.791 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545363 1074381272 /nfs/dbraw/zinc/38/12/72/1074381272.db2.gz FZPNTZQLOZMDOS-WIYYLYMNSA-N 2 0 407.002 3.897 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592474350 1074763337 /nfs/dbraw/zinc/76/33/37/1074763337.db2.gz PRHCWRLKLBYOOX-UHFFFAOYSA-N 2 0 407.002 3.724 20 0 HHADRP C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574096179 1075166663 /nfs/dbraw/zinc/16/66/63/1075166663.db2.gz MTFDLWIHFZTFCW-CLOIUZTFSA-N 2 0 421.585 3.523 20 0 HHADRP CCC(CC)[C@H](CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[NH+]1CCCC1 ZINC000594286169 1075277387 /nfs/dbraw/zinc/27/73/87/1075277387.db2.gz LLAFVKYMLKZBMC-QFIPXVFZSA-N 2 0 422.658 3.610 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594291932 1075278634 /nfs/dbraw/zinc/27/86/34/1075278634.db2.gz QDLLCWMNTPJSIN-SFTDATJTSA-N 2 0 404.986 3.747 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000575031419 1075447132 /nfs/dbraw/zinc/44/71/32/1075447132.db2.gz XOBRETWTROQNFA-NHCUHLMSSA-N 2 0 416.610 3.582 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000602278140 1075725885 /nfs/dbraw/zinc/72/58/85/1075725885.db2.gz VHFVVOCQFILHLH-NRFANRHFSA-N 2 0 419.573 3.699 20 0 HHADRP C[N@H+](Cc1ccc(N2CCC3(CC2)C[NH+](Cc2cccs2)CCO3)nc1)C1CC1 ZINC001164705947 719899755 /nfs/dbraw/zinc/89/97/55/719899755.db2.gz GHPPCBDGCXFWRP-UHFFFAOYSA-N 2 0 412.603 3.609 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164837568 720710345 /nfs/dbraw/zinc/71/03/45/720710345.db2.gz DRMLIBDEXTXOQU-XMMPIXPASA-N 2 0 420.601 3.937 20 0 HHADRP c1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754827 720875540 /nfs/dbraw/zinc/87/55/40/720875540.db2.gz SXXXKURLUYNYSP-RDGATRHJSA-N 2 0 417.557 3.713 20 0 HHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775105 721303742 /nfs/dbraw/zinc/30/37/42/721303742.db2.gz PPOIWCBIWOCDLR-UHFFFAOYSA-N 2 0 408.924 3.579 20 0 HHADRP Cc1cccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777007 721329664 /nfs/dbraw/zinc/32/96/64/721329664.db2.gz JWCCRXIACVALTE-WIOPSUGQSA-N 2 0 422.573 3.524 20 0 HHADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164782764 721461454 /nfs/dbraw/zinc/46/14/54/721461454.db2.gz BQIKOLBWBQLVQZ-FQEVSTJZSA-N 2 0 412.578 3.605 20 0 HHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164796814 721499151 /nfs/dbraw/zinc/49/91/51/721499151.db2.gz YZXVSXSOYMRUKA-UHFFFAOYSA-N 2 0 411.981 3.657 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001165027853 721823206 /nfs/dbraw/zinc/82/32/06/721823206.db2.gz UEPFLCHHEOWQHO-OEMFJLHTSA-N 2 0 405.590 3.809 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164961933 722051159 /nfs/dbraw/zinc/05/11/59/722051159.db2.gz ZDRHVYSMROUJSD-OUMCCJGNSA-N 2 0 421.589 3.929 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121026 971513474 /nfs/dbraw/zinc/51/34/74/971513474.db2.gz FSDSVIMGCASUOO-CALCHBBNSA-N 2 0 400.485 3.949 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303451303 971750851 /nfs/dbraw/zinc/75/08/51/971750851.db2.gz IQLHWWTUXUDITK-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488682 971787424 /nfs/dbraw/zinc/78/74/24/971787424.db2.gz RRYOFSCGLHYOMC-TZIWHRDSSA-N 2 0 414.619 3.780 20 0 HHADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000537693792 1013258272 /nfs/dbraw/zinc/25/82/72/1013258272.db2.gz ZEHFMTWICMAZAS-TZRRMPRUSA-N 2 0 409.574 3.961 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774323 1013337228 /nfs/dbraw/zinc/33/72/28/1013337228.db2.gz LVKCXFPVFJIIMT-NJDAHSKKSA-N 2 0 415.626 3.696 20 0 HHADRP Cc1ccn(-c2ccccc2C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000537776774 1013339673 /nfs/dbraw/zinc/33/96/73/1013339673.db2.gz NTDIKDODMNVCEF-UHFFFAOYSA-N 2 0 409.965 3.876 20 0 HHADRP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840047 1013401172 /nfs/dbraw/zinc/40/11/72/1013401172.db2.gz APAKPDLLVYUJGU-LJQANCHMSA-N 2 0 412.553 3.806 20 0 HHADRP C[C@H](CNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845756 1013410557 /nfs/dbraw/zinc/41/05/57/1013410557.db2.gz MQNXDKRPRHHRCB-RTWAWAEBSA-N 2 0 408.590 3.928 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000542473321 1013420713 /nfs/dbraw/zinc/42/07/13/1013420713.db2.gz HNXVJYDVBKOJIG-UQBPGWFLSA-N 2 0 406.549 3.936 20 0 HHADRP CCC[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000553555726 1013453330 /nfs/dbraw/zinc/45/33/30/1013453330.db2.gz AVTWULYFWLKBQE-XZOQPEGZSA-N 2 0 415.647 3.717 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537882793 1013462165 /nfs/dbraw/zinc/46/21/65/1013462165.db2.gz YFNYJZULNRTAHC-LJQANCHMSA-N 2 0 409.578 3.727 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000048712862 964035178 /nfs/dbraw/zinc/03/51/78/964035178.db2.gz BVZZGTOETCDVPT-GOSISDBHSA-N 2 0 404.002 3.567 20 0 HHADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000048711594 964035313 /nfs/dbraw/zinc/03/53/13/964035313.db2.gz VUAWCLPCQWAYMH-MRXNPFEDSA-N 2 0 403.368 3.826 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137123 964275452 /nfs/dbraw/zinc/27/54/52/964275452.db2.gz QUMDRFNQVLKGTL-NRFANRHFSA-N 2 0 414.619 3.734 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050137764 964275621 /nfs/dbraw/zinc/27/56/21/964275621.db2.gz RNDKQLCYJLHTPM-UXHICEINSA-N 2 0 406.640 3.771 20 0 HHADRP O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000542549203 1013493098 /nfs/dbraw/zinc/49/30/98/1013493098.db2.gz BUIIXJNEXKUNRG-QHCPKHFHSA-N 2 0 409.599 3.785 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000052819341 964992073 /nfs/dbraw/zinc/99/20/73/964992073.db2.gz KNBAPAQYYZKHGX-UHFFFAOYSA-N 2 0 409.665 3.901 20 0 HHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000537969204 1013546665 /nfs/dbraw/zinc/54/66/65/1013546665.db2.gz PQXJGBRWYSDUGE-PMACEKPBSA-N 2 0 409.574 3.803 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000537979302 1013555525 /nfs/dbraw/zinc/55/55/25/1013555525.db2.gz AMRQBCDTIVCDTR-IUKKYPGJSA-N 2 0 411.546 3.645 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000553704148 1013559230 /nfs/dbraw/zinc/55/92/30/1013559230.db2.gz XGHVUIHOOAAOIT-VWLOTQADSA-N 2 0 424.564 3.695 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000054037562 965366607 /nfs/dbraw/zinc/36/66/07/965366607.db2.gz NYOMGEMIRMDLNA-MOPGFXCFSA-N 2 0 400.523 3.536 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043721 965369767 /nfs/dbraw/zinc/36/97/67/965369767.db2.gz JDJXMLVBISXICI-NRFANRHFSA-N 2 0 412.603 3.849 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCCOc1ccccc1 ZINC000029855569 965528584 /nfs/dbraw/zinc/52/85/84/965528584.db2.gz ZQCJNWQCUUMFML-OAQYLSRUSA-N 2 0 409.574 3.557 20 0 HHADRP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513398 965712744 /nfs/dbraw/zinc/71/27/44/965712744.db2.gz LWJMVIZYNMISGT-YADHBBJMSA-N 2 0 422.617 3.792 20 0 HHADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000542667667 1013593095 /nfs/dbraw/zinc/59/30/95/1013593095.db2.gz UYZOGAFNKBIZCR-GOSISDBHSA-N 2 0 406.617 3.721 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000060545142 966198889 /nfs/dbraw/zinc/19/88/89/966198889.db2.gz SNTKLKFZIQBPMN-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP COc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000056791848 966465803 /nfs/dbraw/zinc/46/58/03/966465803.db2.gz SZMRSGCQLPZBPZ-QHCPKHFHSA-N 2 0 416.610 3.594 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000056792543 966466496 /nfs/dbraw/zinc/46/64/96/966466496.db2.gz XPHCOEHFXDLBDR-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000061498512 966480436 /nfs/dbraw/zinc/48/04/36/966480436.db2.gz CKFISQMPGGHJOR-OAQYLSRUSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000542746024 1013656974 /nfs/dbraw/zinc/65/69/74/1013656974.db2.gz OCYFAIFZZRQSJX-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccs1 ZINC000061793570 966557519 /nfs/dbraw/zinc/55/75/19/966557519.db2.gz YIXLDEVAXXYVDY-IBGZPJMESA-N 2 0 418.632 3.764 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)c1 ZINC000061865130 966566578 /nfs/dbraw/zinc/56/65/78/966566578.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 2 0 408.590 3.774 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000062476505 966684148 /nfs/dbraw/zinc/68/41/48/966684148.db2.gz FJMICPJJPFUVQG-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000062530271 966698534 /nfs/dbraw/zinc/69/85/34/966698534.db2.gz NJDMXEOKHIPGDF-QHCPKHFHSA-N 2 0 400.611 3.503 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000062647332 966721093 /nfs/dbraw/zinc/72/10/93/966721093.db2.gz PKSDHKPCHNGUJI-UNMCSNQZSA-N 2 0 416.610 3.643 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000042209001 966745104 /nfs/dbraw/zinc/74/51/04/966745104.db2.gz MBMHGRQQYZAFIN-QFIPXVFZSA-N 2 0 418.029 3.563 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000042743773 966841082 /nfs/dbraw/zinc/84/10/82/966841082.db2.gz FHBIPGNDHJQKBS-KDURUIRLSA-N 2 0 413.562 3.661 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063408017 966847254 /nfs/dbraw/zinc/84/72/54/966847254.db2.gz XWLYBUKZPXMJLW-NRFANRHFSA-N 2 0 402.583 3.760 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000063464283 966867607 /nfs/dbraw/zinc/86/76/07/966867607.db2.gz CNBFZRBCBUYIMR-OFNKIYASSA-N 2 0 412.553 3.640 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929679 966870724 /nfs/dbraw/zinc/87/07/24/966870724.db2.gz GBOOTHIOTAQEAG-OYRHEFFESA-N 2 0 400.611 3.708 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000042929625 966870780 /nfs/dbraw/zinc/87/07/80/966870780.db2.gz IBYDVASKPVTYDX-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cnc(N(C)C)s3)cc2)C[C@H]1C ZINC000538122804 1013685139 /nfs/dbraw/zinc/68/51/39/1013685139.db2.gz RPVLHQURBWMDIV-QZTJIDSGSA-N 2 0 402.608 3.508 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000064244469 967104365 /nfs/dbraw/zinc/10/43/65/967104365.db2.gz HIKIILVYKGCJQZ-NRFANRHFSA-N 2 0 418.582 3.701 20 0 HHADRP COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1 ZINC000538143214 1013704145 /nfs/dbraw/zinc/70/41/45/1013704145.db2.gz GXMBBLJWXPQSGA-RUZDIDTESA-N 2 0 409.574 3.894 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000045567716 967498176 /nfs/dbraw/zinc/49/81/76/967498176.db2.gz WAYHMCTVNWXDQG-DNQXCXABSA-N 2 0 406.574 3.841 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000045567718 967498253 /nfs/dbraw/zinc/49/82/53/967498253.db2.gz WAYHMCTVNWXDQG-BJKOFHAPSA-N 2 0 406.574 3.841 20 0 HHADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065518409 967503857 /nfs/dbraw/zinc/50/38/57/967503857.db2.gz LPCOUXKAAUAZIT-RUZDIDTESA-N 2 0 422.617 3.715 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000065521393 967505484 /nfs/dbraw/zinc/50/54/84/967505484.db2.gz PTRYXUHOJWHKKO-CVDCTZTESA-N 2 0 412.553 3.734 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736233 /nfs/dbraw/zinc/73/62/33/1013736233.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 2 0 402.583 3.636 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000046129403 967670749 /nfs/dbraw/zinc/67/07/49/967670749.db2.gz XBXBKVXKCPMGMB-OYRHEFFESA-N 2 0 412.622 3.934 20 0 HHADRP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065866559 968688677 /nfs/dbraw/zinc/68/86/77/968688677.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 2 0 409.549 3.819 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000065901205 968706013 /nfs/dbraw/zinc/70/60/13/968706013.db2.gz DEFUJASJVDLRKI-CTNGQTDRSA-N 2 0 401.526 3.830 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554156290 1013826994 /nfs/dbraw/zinc/82/69/94/1013826994.db2.gz VIYSLUUMULOCFQ-UHFFFAOYSA-N 2 0 403.636 3.576 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)c1ccccc1O2 ZINC000538292697 1013827874 /nfs/dbraw/zinc/82/78/74/1013827874.db2.gz ASYHIYNJTBFBJW-HSZRJFAPSA-N 2 0 419.569 3.887 20 0 HHADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097328 968990209 /nfs/dbraw/zinc/99/02/09/968990209.db2.gz LTNCDACCKOJZCD-GOSISDBHSA-N 2 0 409.530 3.586 20 0 HHADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929486 969435813 /nfs/dbraw/zinc/43/58/13/969435813.db2.gz XNIAVVMXOARWJA-ILBGXUMGSA-N 2 0 421.585 3.861 20 0 HHADRP COc1ccc([C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000109109035 969463894 /nfs/dbraw/zinc/46/38/94/969463894.db2.gz KRZJOEOAAACGGQ-XMMPIXPASA-N 2 0 407.558 3.858 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000110912575 969740626 /nfs/dbraw/zinc/74/06/26/969740626.db2.gz OJEAGHRTRASPES-UHFFFAOYSA-N 2 0 411.615 3.867 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1)C(C)C ZINC000110952340 969746619 /nfs/dbraw/zinc/74/66/19/969746619.db2.gz CMEHCNFIQAFHEC-UHFFFAOYSA-N 2 0 408.590 3.599 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000116544979 969903592 /nfs/dbraw/zinc/90/35/92/969903592.db2.gz IBUNCRGGRKHLBS-JOCHJYFZSA-N 2 0 407.583 3.860 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cccc(-n4ccnn4)c3)CC2)c1 ZINC000554360258 1013920949 /nfs/dbraw/zinc/92/09/49/1013920949.db2.gz FHIXMALRLWFXJI-JOCHJYFZSA-N 2 0 418.589 3.829 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376048 1013925199 /nfs/dbraw/zinc/92/51/99/1013925199.db2.gz DGEAIPFMVDRCNA-MISYRCLQSA-N 2 0 411.512 3.820 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000139927659 970054515 /nfs/dbraw/zinc/05/45/15/970054515.db2.gz VIYGHTADHCBHQF-FQEVSTJZSA-N 2 0 418.651 3.912 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000236677313 970154277 /nfs/dbraw/zinc/15/42/77/970154277.db2.gz ARHFLAGKIGZECV-QFIPXVFZSA-N 2 0 416.997 3.676 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236838808 970178278 /nfs/dbraw/zinc/17/82/78/970178278.db2.gz HIQBOWCVQRWNRK-UHFFFAOYSA-N 2 0 417.601 3.716 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236838899 970178444 /nfs/dbraw/zinc/17/84/44/970178444.db2.gz VPQYYUNYTHEUAH-UHFFFAOYSA-N 2 0 423.630 3.777 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236839210 970178473 /nfs/dbraw/zinc/17/84/73/970178473.db2.gz OSJRORVWTXLJQB-UHFFFAOYSA-N 2 0 409.603 3.718 20 0 HHADRP CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)c1 ZINC000236894857 970185945 /nfs/dbraw/zinc/18/59/45/970185945.db2.gz KLOQHGQBCPTGKE-UHFFFAOYSA-N 2 0 408.590 3.648 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236952401 970194099 /nfs/dbraw/zinc/19/40/99/970194099.db2.gz VSJJKGGDLDRDPJ-GOSISDBHSA-N 2 0 418.029 3.565 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000237074355 970218185 /nfs/dbraw/zinc/21/81/85/970218185.db2.gz HTVKGIJYKVHQOT-UHFFFAOYSA-N 2 0 423.630 3.777 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2CNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237101494 970222052 /nfs/dbraw/zinc/22/20/52/970222052.db2.gz OKTOKQKDFVNHHY-UHFFFAOYSA-N 2 0 413.009 3.846 20 0 HHADRP COc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000237154294 970232897 /nfs/dbraw/zinc/23/28/97/970232897.db2.gz NVBURUJXQRMUOD-UHFFFAOYSA-N 2 0 415.553 3.531 20 0 HHADRP COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000237165245 970234485 /nfs/dbraw/zinc/23/44/85/970234485.db2.gz CXXMNFDPROWCIS-QHCPKHFHSA-N 2 0 411.590 3.636 20 0 HHADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237188819 970238124 /nfs/dbraw/zinc/23/81/24/970238124.db2.gz VTKHCASUWGNJHZ-UHFFFAOYSA-N 2 0 417.347 3.955 20 0 HHADRP COC(=O)COc1c(C)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237189736 970238906 /nfs/dbraw/zinc/23/89/06/970238906.db2.gz XAYAEQOXBCKHGF-REWPJTCUSA-N 2 0 410.558 3.998 20 0 HHADRP COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc(OC)c1 ZINC000237470940 970294369 /nfs/dbraw/zinc/29/43/69/970294369.db2.gz ONHDSYRKWCNXAB-UHFFFAOYSA-N 2 0 423.479 3.764 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CC(=O)Nc3ccccc3)CC2)c1 ZINC000237501328 970303015 /nfs/dbraw/zinc/30/30/15/970303015.db2.gz VHTNCZJLLLXEIT-JOCHJYFZSA-N 2 0 408.590 3.904 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)N1CC[NH+](C)CC1 ZINC000237580043 970316700 /nfs/dbraw/zinc/31/67/00/970316700.db2.gz RYRVXRCBDDDZJC-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP CC[NH+]1CCC(CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000554582428 1013982467 /nfs/dbraw/zinc/98/24/67/1013982467.db2.gz BROLBQYDOWRNEW-UHFFFAOYSA-N 2 0 400.611 3.710 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237813314 970373615 /nfs/dbraw/zinc/37/36/15/970373615.db2.gz UDXQJJWOLCVVRT-SFHVURJKSA-N 2 0 411.377 3.814 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000554733138 1014034277 /nfs/dbraw/zinc/03/42/77/1014034277.db2.gz ASYYZKKIKMMEDR-LJQANCHMSA-N 2 0 405.384 3.535 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000554804030 1014051655 /nfs/dbraw/zinc/05/16/55/1014051655.db2.gz CBIZXDYOHOYDNS-DENIHFKCSA-N 2 0 417.557 3.724 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000392966010 972858966 /nfs/dbraw/zinc/85/89/66/972858966.db2.gz UXQRZEZEMGAGEB-RTBURBONSA-N 2 0 410.400 3.524 20 0 HHADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977046 974086422 /nfs/dbraw/zinc/08/64/22/974086422.db2.gz JBPAXGJYWPKHMD-HKUYNNGSSA-N 2 0 414.516 3.613 20 0 HHADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)C2 ZINC000426059778 974182038 /nfs/dbraw/zinc/18/20/38/974182038.db2.gz FVNAVIRIOHPFRG-JOCHJYFZSA-N 2 0 424.585 3.832 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422316 974440276 /nfs/dbraw/zinc/44/02/76/974440276.db2.gz VMCVFSKSGITBQN-HXUWFJFHSA-N 2 0 411.590 3.649 20 0 HHADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770261 974647555 /nfs/dbraw/zinc/64/75/55/974647555.db2.gz QJWHINWLVPEPCO-OYRHEFFESA-N 2 0 415.622 3.784 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426930092 974760038 /nfs/dbraw/zinc/76/00/38/974760038.db2.gz XOCKOANHKYEXMC-RUZDIDTESA-N 2 0 418.585 3.617 20 0 HHADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427506210 975151611 /nfs/dbraw/zinc/15/16/11/975151611.db2.gz NCJJHIQEKOCTEQ-ZEQRLZLVSA-N 2 0 406.574 3.833 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846674 975319104 /nfs/dbraw/zinc/31/91/04/975319104.db2.gz ANKNMWLWKUMMON-UYAOXDASSA-N 2 0 405.464 3.834 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428107974 975440222 /nfs/dbraw/zinc/44/02/22/975440222.db2.gz ORSJCFMKUGAIFK-HJNYFJLDSA-N 2 0 410.562 3.769 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000428204069 975528838 /nfs/dbraw/zinc/52/88/38/975528838.db2.gz HWMXJODTTPMZFC-YTFSRNRJSA-N 2 0 407.606 3.827 20 0 HHADRP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243767 975559451 /nfs/dbraw/zinc/55/94/51/975559451.db2.gz UPEIXSMZLXRGCV-PEISPCAHSA-N 2 0 407.606 3.669 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428534071 975829252 /nfs/dbraw/zinc/82/92/52/975829252.db2.gz DTHDFXPEKKENEL-ILBGXUMGSA-N 2 0 411.565 3.614 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428534073 975830062 /nfs/dbraw/zinc/83/00/62/975830062.db2.gz DTHDFXPEKKENEL-UKILVPOCSA-N 2 0 411.565 3.614 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638242 975939659 /nfs/dbraw/zinc/93/96/59/975939659.db2.gz FVYBAYNKDMDTLY-FUPPJEDESA-N 2 0 400.611 3.993 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428963455 976251755 /nfs/dbraw/zinc/25/17/55/976251755.db2.gz MSUXRVPQIUYANQ-SANMLTNESA-N 2 0 423.601 3.628 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429022790 976303669 /nfs/dbraw/zinc/30/36/69/976303669.db2.gz AACAXYBYUJGEER-LAUBAEHRSA-N 2 0 422.976 3.646 20 0 HHADRP Oc1cccc2c1C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@H]3Cc4cccc(O)c4C3)c1)C2 ZINC000429317412 976585402 /nfs/dbraw/zinc/58/54/02/976585402.db2.gz KUPMOLLSXHITHD-VXKWHMMOSA-N 2 0 400.522 3.612 20 0 HHADRP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421938 976699443 /nfs/dbraw/zinc/69/94/43/976699443.db2.gz YBHBFJUOEDSWEJ-BWKNWUBXSA-N 2 0 411.590 3.569 20 0 HHADRP C[C@H]1C[NH+](CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000429495475 976753319 /nfs/dbraw/zinc/75/33/19/976753319.db2.gz WGWKQMNTWNGMAN-VXKWHMMOSA-N 2 0 422.658 3.564 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074316 /nfs/dbraw/zinc/07/43/16/977074316.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 0 409.574 3.544 20 0 HHADRP COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000429812033 977085480 /nfs/dbraw/zinc/08/54/80/977085480.db2.gz VLWVORVACBMDRJ-FQEVSTJZSA-N 2 0 409.574 3.716 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)ccc3OCC3CC3)cn2)CC1 ZINC000430001554 977263180 /nfs/dbraw/zinc/26/31/80/977263180.db2.gz SKYHUTCCDKXQGE-UHFFFAOYSA-N 2 0 414.981 3.956 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430029863 977282251 /nfs/dbraw/zinc/28/22/51/977282251.db2.gz UJZQIWHWFZMIJC-UHFFFAOYSA-N 2 0 406.530 3.645 20 0 HHADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914106 977883373 /nfs/dbraw/zinc/88/33/73/977883373.db2.gz IBXOAJFQYBVICF-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP COc1ccc(OCCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430939454 977902016 /nfs/dbraw/zinc/90/20/16/977902016.db2.gz GKBFARBSAFFFCJ-UHFFFAOYSA-N 2 0 403.611 3.592 20 0 HHADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000430947262 977908072 /nfs/dbraw/zinc/90/80/72/977908072.db2.gz AGQYGEKJOQIOCZ-LJQANCHMSA-N 2 0 418.601 3.589 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccsc1 ZINC000431131047 978038602 /nfs/dbraw/zinc/03/86/02/978038602.db2.gz YCJIKFIPSODZGE-LJQANCHMSA-N 2 0 418.611 3.724 20 0 HHADRP Cc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431147012 978048944 /nfs/dbraw/zinc/04/89/44/978048944.db2.gz BMTVHFOLBWIMQI-QFIPXVFZSA-N 2 0 424.593 3.725 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C[NH+]1CCCCC1 ZINC000431278961 978164637 /nfs/dbraw/zinc/16/46/37/978164637.db2.gz CPTSKQWJKQIHFI-QFIPXVFZSA-N 2 0 412.622 3.806 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)[NH+]2CCCC2)o1 ZINC000431625036 978393845 /nfs/dbraw/zinc/39/38/45/978393845.db2.gz XVKYLKGHIJWDBH-NRFANRHFSA-N 2 0 404.599 3.782 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)[NH+]2CCCC2)o1 ZINC000431625038 978393988 /nfs/dbraw/zinc/39/39/88/978393988.db2.gz XVKYLKGHIJWDBH-OAQYLSRUSA-N 2 0 404.599 3.782 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCCC[C@@H]1C ZINC000431808931 978529296 /nfs/dbraw/zinc/52/92/96/978529296.db2.gz LISXFNKGBKAMRT-VXKWHMMOSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978553992 /nfs/dbraw/zinc/55/39/92/978553992.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 2 0 405.627 3.521 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554007 /nfs/dbraw/zinc/55/40/07/978554007.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 2 0 405.627 3.521 20 0 HHADRP CC[C@@]1(CO)CCC[NH+](Cc2cc(C[N@H+]3CCC[C@@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792090 978975600 /nfs/dbraw/zinc/97/56/00/978975600.db2.gz IOTQZQONHMPDTR-JWQCQUIFSA-N 2 0 418.622 3.664 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000432833017 978987495 /nfs/dbraw/zinc/98/74/95/978987495.db2.gz AQWCPLGBUBGGLM-SANMLTNESA-N 2 0 405.586 3.739 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000432833015 978987531 /nfs/dbraw/zinc/98/75/31/978987531.db2.gz AQWCPLGBUBGGLM-AREMUKBSSA-N 2 0 405.586 3.739 20 0 HHADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc2C1 ZINC000433049408 979051719 /nfs/dbraw/zinc/05/17/19/979051719.db2.gz UIOPOLBFKSOVBU-UHFFFAOYSA-N 2 0 417.597 3.950 20 0 HHADRP O=S(=O)(CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433063336 979055975 /nfs/dbraw/zinc/05/59/75/979055975.db2.gz RYOUHEWHGSFCKV-UHFFFAOYSA-N 2 0 412.599 3.839 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115939 979080163 /nfs/dbraw/zinc/08/01/63/979080163.db2.gz QGSABTFNHFSZTN-NRFANRHFSA-N 2 0 421.585 3.688 20 0 HHADRP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433172512 979116418 /nfs/dbraw/zinc/11/64/18/979116418.db2.gz CROCHBRBARPQQW-HSZRJFAPSA-N 2 0 419.569 3.789 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173722 979117892 /nfs/dbraw/zinc/11/78/92/979117892.db2.gz KYHXRVWVNUYIDW-UHFFFAOYSA-N 2 0 422.598 3.595 20 0 HHADRP COc1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000433191405 979131359 /nfs/dbraw/zinc/13/13/59/979131359.db2.gz UYIZDIUVZNGAPL-JWQCQUIFSA-N 2 0 414.590 3.700 20 0 HHADRP COc1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000433191403 979131696 /nfs/dbraw/zinc/13/16/96/979131696.db2.gz UYIZDIUVZNGAPL-DQEYMECFSA-N 2 0 414.590 3.700 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1cc(F)cc(F)c1 ZINC000433212941 979146392 /nfs/dbraw/zinc/14/63/92/979146392.db2.gz NBDKDPZAUAYNCF-UHFFFAOYSA-N 2 0 413.512 3.569 20 0 HHADRP CCn1nccc1C1CC[NH+](C/C=C/C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434743963 980375363 /nfs/dbraw/zinc/37/53/63/980375363.db2.gz GDGGULXXWAQXBC-AATRIKPKSA-N 2 0 410.610 3.735 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000435028414 980582103 /nfs/dbraw/zinc/58/21/03/980582103.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 2 0 410.537 3.725 20 0 HHADRP CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000435536743 980927584 /nfs/dbraw/zinc/92/75/84/980927584.db2.gz VFXPFFNFNYQQMB-JOCHJYFZSA-N 2 0 424.593 3.634 20 0 HHADRP C[C@H](c1ccccc1)N1CCN(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000435581332 980949475 /nfs/dbraw/zinc/94/94/75/980949475.db2.gz YFMZPWZAESTBSY-OAQYLSRUSA-N 2 0 413.606 3.563 20 0 HHADRP Cc1oc(-c2ccccc2)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000436248513 981268049 /nfs/dbraw/zinc/26/80/49/981268049.db2.gz SVVSPCGEHUUEJK-UHFFFAOYSA-N 2 0 418.541 3.901 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)cc2)C[C@H](C)O1 ZINC000436274745 981280355 /nfs/dbraw/zinc/28/03/55/981280355.db2.gz MVUPKEYRSWIGTK-PMACEKPBSA-N 2 0 422.548 3.970 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000436417422 981357809 /nfs/dbraw/zinc/35/78/09/981357809.db2.gz ZMCBXLKXABXMGQ-UHFFFAOYSA-N 2 0 412.544 3.583 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208984 981623102 /nfs/dbraw/zinc/62/31/02/981623102.db2.gz MTAWTQIHVSFXRC-UPVQGACJSA-N 2 0 410.606 3.557 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437048411 981718842 /nfs/dbraw/zinc/71/88/42/981718842.db2.gz ZGEGJYPRLSJQJL-DEOSSOPVSA-N 2 0 405.586 3.879 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448372777 981731720 /nfs/dbraw/zinc/73/17/20/981731720.db2.gz HJKLAKOZFNWZGG-UGKGYDQZSA-N 2 0 414.594 3.888 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000448523547 981851615 /nfs/dbraw/zinc/85/16/15/981851615.db2.gz YYQAJGSROMINFS-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460100037 981876080 /nfs/dbraw/zinc/87/60/80/981876080.db2.gz CSSYRHQVXRPJNI-CQOQZXRMSA-N 2 0 424.564 3.592 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171637 981943768 /nfs/dbraw/zinc/94/37/68/981943768.db2.gz XBOGKMBPXIFDQY-YFNKSVMNSA-N 2 0 412.622 3.662 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460411771 982195609 /nfs/dbraw/zinc/19/56/09/982195609.db2.gz ZZPCAEVNFWPCTH-GOTSBHOMSA-N 2 0 424.633 3.947 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000460553200 982339293 /nfs/dbraw/zinc/33/92/93/982339293.db2.gz WYGSCUIESVVBLI-GMAHTHKFSA-N 2 0 424.564 3.551 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347051 /nfs/dbraw/zinc/34/70/51/982347051.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 2 0 418.585 3.595 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000438077979 982575184 /nfs/dbraw/zinc/57/51/84/982575184.db2.gz SPLQVJAPAIOTCP-UHFFFAOYSA-N 2 0 412.578 3.585 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006858 982720575 /nfs/dbraw/zinc/72/05/75/982720575.db2.gz JLMWMKHTMKGQFW-MLDBQTBOSA-N 2 0 424.589 3.872 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000461088141 982782816 /nfs/dbraw/zinc/78/28/16/982782816.db2.gz LXDPALDZWSWEEK-AMJRBTLZSA-N 2 0 402.579 3.753 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000461088149 982782857 /nfs/dbraw/zinc/78/28/57/982782857.db2.gz LXDPALDZWSWEEK-KMMOIWBLSA-N 2 0 402.579 3.753 20 0 HHADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429651 983092248 /nfs/dbraw/zinc/09/22/48/983092248.db2.gz NWYYNJZKJBZLQK-DQEYMECFSA-N 2 0 403.570 3.877 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438837228 983106044 /nfs/dbraw/zinc/10/60/44/983106044.db2.gz INCGRXULOBEVBV-FQEVSTJZSA-N 2 0 423.605 3.947 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000439262129 983336874 /nfs/dbraw/zinc/33/68/74/983336874.db2.gz UHXXVPIMYBUBEK-IBGZPJMESA-N 2 0 404.580 3.642 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420585 983402097 /nfs/dbraw/zinc/40/20/97/983402097.db2.gz HNARWPANCAKNSY-KNQAVFIVSA-N 2 0 414.619 3.732 20 0 HHADRP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000439609210 983469900 /nfs/dbraw/zinc/46/99/00/983469900.db2.gz FTILNYHGALIRQP-SFHVURJKSA-N 2 0 409.534 3.806 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000439608707 983470028 /nfs/dbraw/zinc/47/00/28/983470028.db2.gz BELKKTBCIZHJNO-KRWDZBQOSA-N 2 0 421.497 3.757 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000439742412 983522116 /nfs/dbraw/zinc/52/21/16/983522116.db2.gz URUIEUMGOYVJMM-IBGZPJMESA-N 2 0 424.614 3.586 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440180056 983671920 /nfs/dbraw/zinc/67/19/20/983671920.db2.gz QQNPSJXFUMDECP-RRPUWOKSSA-N 2 0 415.626 3.807 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185194 983674304 /nfs/dbraw/zinc/67/43/04/983674304.db2.gz JLOVRXCEPLEBFF-HYBUGGRVSA-N 2 0 421.589 3.523 20 0 HHADRP Cc1ccccc1CCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000440329257 983724192 /nfs/dbraw/zinc/72/41/92/983724192.db2.gz UVYBAWZICRURDT-UHFFFAOYSA-N 2 0 407.602 3.888 20 0 HHADRP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441181131 984104331 /nfs/dbraw/zinc/10/43/31/984104331.db2.gz RZVQGLDMDKMLOD-HXUWFJFHSA-N 2 0 407.505 3.591 20 0 HHADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000462005187 984985308 /nfs/dbraw/zinc/98/53/08/984985308.db2.gz FIAQNBMYJSVULT-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462016592 984994851 /nfs/dbraw/zinc/99/48/51/984994851.db2.gz RPAULOZKURCBFM-INIZCTEOSA-N 2 0 402.505 3.507 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873513 985253374 /nfs/dbraw/zinc/25/33/74/985253374.db2.gz PJQUJVNAZYOSPI-SFHVURJKSA-N 2 0 402.583 3.942 20 0 HHADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462510637 985461864 /nfs/dbraw/zinc/46/18/64/985461864.db2.gz LQKBZABQCQYTLN-CTNGQTDRSA-N 2 0 418.651 3.681 20 0 HHADRP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000462515258 985465918 /nfs/dbraw/zinc/46/59/18/985465918.db2.gz WVLPFSFPAKDHIT-PZJWPPBQSA-N 2 0 418.651 3.508 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679996 985619017 /nfs/dbraw/zinc/61/90/17/985619017.db2.gz SQIOZHVGARGNDD-KNQAVFIVSA-N 2 0 410.562 3.577 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687609 985627223 /nfs/dbraw/zinc/62/72/23/985627223.db2.gz SDJGLGSSJNUORS-YKSBVNFPSA-N 2 0 406.574 3.602 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462750249 985691294 /nfs/dbraw/zinc/69/12/94/985691294.db2.gz NHGGMWBWICJQCO-XMMPIXPASA-N 2 0 412.622 3.806 20 0 HHADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000468060801 985719013 /nfs/dbraw/zinc/71/90/13/985719013.db2.gz SRIXPSLLVNFFJJ-XPWALMASSA-N 2 0 409.574 3.988 20 0 HHADRP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809402 985739535 /nfs/dbraw/zinc/73/95/35/985739535.db2.gz IODACZYDUVPOLD-YADHBBJMSA-N 2 0 404.574 3.772 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635655 985818263 /nfs/dbraw/zinc/81/82/63/985818263.db2.gz ZJGGCQCPSHUCFK-CVDCTZTESA-N 2 0 400.611 3.933 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443646006 985837457 /nfs/dbraw/zinc/83/74/57/985837457.db2.gz CLJXEMCHVPQDHU-YADARESESA-N 2 0 408.590 3.897 20 0 HHADRP C[N@H+](CCNC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1)Cc1ccccc1 ZINC000462911348 985842938 /nfs/dbraw/zinc/84/29/38/985842938.db2.gz JEMJPDCMFSVJAW-UHFFFAOYSA-N 2 0 420.532 3.839 20 0 HHADRP C[N@H+](CCNC(=O)C1CCN(c2ccnc3ccsc32)CC1)Cc1ccccc1 ZINC000462913188 985844203 /nfs/dbraw/zinc/84/42/03/985844203.db2.gz SZAFUNWZAOFUNS-UHFFFAOYSA-N 2 0 408.571 3.761 20 0 HHADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000463056264 986013439 /nfs/dbraw/zinc/01/34/39/986013439.db2.gz FENSMCZIUOGPEL-OFVILXPXSA-N 2 0 406.618 3.827 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443822344 986018004 /nfs/dbraw/zinc/01/80/04/986018004.db2.gz GQRITEOMTJNMIH-UHFFFAOYSA-N 2 0 402.583 3.747 20 0 HHADRP Brc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)oc2c1 ZINC000463146696 986116756 /nfs/dbraw/zinc/11/67/56/986116756.db2.gz OYHOSJJPOWGGKG-UHFFFAOYSA-N 2 0 422.367 3.915 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468425659 986124244 /nfs/dbraw/zinc/12/42/44/986124244.db2.gz AMPGADYPSLOOGJ-CVDCTZTESA-N 2 0 409.574 3.503 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468425663 986124529 /nfs/dbraw/zinc/12/45/29/986124529.db2.gz AMPGADYPSLOOGJ-XXBNENTESA-N 2 0 409.574 3.503 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3c3ccc(F)cc3)c2)C1 ZINC000468430618 986128790 /nfs/dbraw/zinc/12/87/90/986128790.db2.gz RWIIGBZTVXVORJ-YFNKSVMNSA-N 2 0 409.549 3.949 20 0 HHADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000463189735 986161492 /nfs/dbraw/zinc/16/14/92/986161492.db2.gz KPJINYNAMUJVFK-MYCYEZBNSA-N 2 0 407.602 3.512 20 0 HHADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000463189734 986161691 /nfs/dbraw/zinc/16/16/91/986161691.db2.gz KPJINYNAMUJVFK-JLZPKONASA-N 2 0 407.602 3.512 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468686007 986397582 /nfs/dbraw/zinc/39/75/82/986397582.db2.gz BSUFWDJCKXMOSD-FXAWDEMLSA-N 2 0 412.981 3.845 20 0 HHADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468908051 986614709 /nfs/dbraw/zinc/61/47/09/986614709.db2.gz KCPVKCIGWHDUKQ-HSALFYBXSA-N 2 0 413.587 3.753 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000468924041 986629819 /nfs/dbraw/zinc/62/98/19/986629819.db2.gz IEHIRWGHSJFAMC-GJZUVCINSA-N 3 0 406.618 3.829 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000468923653 986630017 /nfs/dbraw/zinc/63/00/17/986630017.db2.gz IEHIRWGHSJFAMC-ATIYNZHBSA-N 3 0 406.618 3.829 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469567348 987236229 /nfs/dbraw/zinc/23/62/29/987236229.db2.gz RGGJNHXSJDDKDE-XMMPIXPASA-N 2 0 423.605 3.754 20 0 HHADRP CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000469748406 987399432 /nfs/dbraw/zinc/39/94/32/987399432.db2.gz KDJGEIQAKGTBGC-QHCPKHFHSA-N 2 0 423.605 3.647 20 0 HHADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000470099585 988001199 /nfs/dbraw/zinc/00/11/99/988001199.db2.gz FLHZIXUVMHHBGO-SFHVURJKSA-N 2 0 400.538 3.759 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470278174 988232226 /nfs/dbraw/zinc/23/22/26/988232226.db2.gz DBWPAVZEZMZTNC-CEXWTWQISA-N 2 0 412.500 3.576 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281506 988236327 /nfs/dbraw/zinc/23/63/27/988236327.db2.gz YJUKZMQLBHQPPF-RBUKOAKNSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470283342 988239593 /nfs/dbraw/zinc/23/95/93/988239593.db2.gz MYAFIBZHUKNAKF-XUJQIHCRSA-N 2 0 414.516 3.728 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287010 988243741 /nfs/dbraw/zinc/24/37/41/988243741.db2.gz XUNASMJNLPZOTK-QFBILLFUSA-N 2 0 414.516 3.585 20 0 HHADRP Brc1cc2cccnc2c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000470369943 988332809 /nfs/dbraw/zinc/33/28/09/988332809.db2.gz RWULBCOURVHYJJ-UHFFFAOYSA-N 2 0 418.379 3.932 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000470442500 988416142 /nfs/dbraw/zinc/41/61/42/988416142.db2.gz QEBDTBUIAODPPT-UHFFFAOYSA-N 2 0 414.525 3.552 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737998 988773564 /nfs/dbraw/zinc/77/35/64/988773564.db2.gz RSBXVYPWAVAJSW-SFTDATJTSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738016 988774973 /nfs/dbraw/zinc/77/49/73/988774973.db2.gz RTUPOORHIKECDX-HYBUGGRVSA-N 2 0 412.622 3.792 20 0 HHADRP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746101 988785503 /nfs/dbraw/zinc/78/55/03/988785503.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 2 0 406.574 3.567 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748425 988789696 /nfs/dbraw/zinc/78/96/96/988789696.db2.gz WNNWFYUNFHKNQT-IMSXRSKXSA-N 2 0 412.622 3.792 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470752815 988794446 /nfs/dbraw/zinc/79/44/46/988794446.db2.gz BQLXWJGJOHJKSV-QFIPXVFZSA-N 2 0 412.622 3.792 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464670415 988868423 /nfs/dbraw/zinc/86/84/23/988868423.db2.gz MNAKUFGULQQFHJ-FPOVZHCZSA-N 2 0 411.512 3.631 20 0 HHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000464770626 988994053 /nfs/dbraw/zinc/99/40/53/988994053.db2.gz CGJPLNKHVPRPNP-MRXNPFEDSA-N 2 0 416.347 3.724 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000464824057 989061555 /nfs/dbraw/zinc/06/15/55/989061555.db2.gz SCFQOOYARLLSLM-SFTDATJTSA-N 2 0 400.611 3.696 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019131 989339527 /nfs/dbraw/zinc/33/95/27/989339527.db2.gz ZPIZKAUSYBVHGQ-UKILVPOCSA-N 2 0 412.622 3.662 20 0 HHADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471217706 989360742 /nfs/dbraw/zinc/36/07/42/989360742.db2.gz BHEXYYCCFGYKHF-GOSISDBHSA-N 2 0 415.528 3.986 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000471377699 989554561 /nfs/dbraw/zinc/55/45/61/989554561.db2.gz YCUKRTBFZUNBCV-JXKFMYIUSA-N 2 0 424.589 3.872 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471496057 989694023 /nfs/dbraw/zinc/69/40/23/989694023.db2.gz KONGDWHMWJCOOW-UPVQGACJSA-N 2 0 406.574 3.645 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000465419435 989765102 /nfs/dbraw/zinc/76/51/02/989765102.db2.gz FUFMKLCQWSDIFG-JWQCQUIFSA-N 2 0 422.617 3.713 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425253 989769757 /nfs/dbraw/zinc/76/97/57/989769757.db2.gz BETLSWHVHASNNA-VQTJNVASSA-N 2 0 406.640 3.894 20 0 HHADRP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431592 989776471 /nfs/dbraw/zinc/77/64/71/989776471.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 2 0 406.574 3.567 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(F)c1 ZINC000465436233 989781400 /nfs/dbraw/zinc/78/14/00/989781400.db2.gz VDNNLCITTCDJBT-DSKINZAPSA-N 2 0 418.582 3.872 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000471591493 989794710 /nfs/dbraw/zinc/79/47/10/989794710.db2.gz WGOZVKCWIMYNMI-LPHOPBHVSA-N 2 0 402.583 3.942 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000471591495 989795871 /nfs/dbraw/zinc/79/58/71/989795871.db2.gz WGOZVKCWIMYNMI-VQIMIIECSA-N 2 0 402.583 3.942 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491655 989839978 /nfs/dbraw/zinc/83/99/78/989839978.db2.gz VCKBLSUAHDTAHA-RBBKRZOGSA-N 2 0 404.599 3.594 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661973 989866601 /nfs/dbraw/zinc/86/66/01/989866601.db2.gz IPSYLKFDIQQPAB-JOCHJYFZSA-N 2 0 406.574 3.679 20 0 HHADRP C[C@H]1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000465524824 989881122 /nfs/dbraw/zinc/88/11/22/989881122.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 2 0 420.601 3.741 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000471683399 989887751 /nfs/dbraw/zinc/88/77/51/989887751.db2.gz UAALANZSXBTTMO-QFIPXVFZSA-N 2 0 424.564 3.611 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccsc1 ZINC000465533147 989894042 /nfs/dbraw/zinc/89/40/42/989894042.db2.gz JFWPFHVLYBFUBG-SUMDDJOVSA-N 2 0 406.621 3.795 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465534234 989895672 /nfs/dbraw/zinc/89/56/72/989895672.db2.gz PDGILSKUPZAVLE-LVZYQIDLSA-N 2 0 412.622 3.979 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465549528 989913257 /nfs/dbraw/zinc/91/32/57/989913257.db2.gz SFIHDRYOXYSDPX-WPFOTENUSA-N 2 0 414.638 3.908 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000465574610 989942926 /nfs/dbraw/zinc/94/29/26/989942926.db2.gz RBGFKQQNDSLAOV-FQEVSTJZSA-N 2 0 400.611 3.840 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000465598372 989978955 /nfs/dbraw/zinc/97/89/55/989978955.db2.gz MQRRYENEWYBMCJ-DEOSSOPVSA-N 2 0 408.590 3.672 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000465681059 990066078 /nfs/dbraw/zinc/06/60/78/990066078.db2.gz GXWSPJGUMDEUBJ-JOCHJYFZSA-N 2 0 416.610 3.643 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694793 990081192 /nfs/dbraw/zinc/08/11/92/990081192.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737787 990123474 /nfs/dbraw/zinc/12/34/74/990123474.db2.gz OIBZSXPSSFKXNJ-ADYITMSISA-N 2 0 400.611 3.516 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000465784731 990167025 /nfs/dbraw/zinc/16/70/25/990167025.db2.gz JGQAFAVEFYFLHD-NRFANRHFSA-N 2 0 413.610 3.651 20 0 HHADRP CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000465807682 990190426 /nfs/dbraw/zinc/19/04/26/990190426.db2.gz IEYBTARSYIBRIT-QHCPKHFHSA-N 2 0 423.605 3.565 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816777 990200101 /nfs/dbraw/zinc/20/01/01/990200101.db2.gz QOMPIPPTCAWZJW-UNMCSNQZSA-N 2 0 412.578 3.969 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823519 990206926 /nfs/dbraw/zinc/20/69/26/990206926.db2.gz XWGXCSGALFCTEI-VXKWHMMOSA-N 2 0 412.578 3.826 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472047166 990215546 /nfs/dbraw/zinc/21/55/46/990215546.db2.gz DQSUPEPCMDYWMN-JLAWEPINSA-N 2 0 418.548 3.601 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000465934610 991070472 /nfs/dbraw/zinc/07/04/72/991070472.db2.gz YCOMPYBRNOETQO-NRFANRHFSA-N 2 0 400.611 3.936 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000465943509 991083105 /nfs/dbraw/zinc/08/31/05/991083105.db2.gz PRIZYYMHSYBJKB-QHCPKHFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000466054387 991225966 /nfs/dbraw/zinc/22/59/66/991225966.db2.gz WSTFWYIRUIKWQM-DOTOQJQBSA-N 2 0 415.409 3.939 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000466097556 991275831 /nfs/dbraw/zinc/27/58/31/991275831.db2.gz HKDAGUGSKXQCMS-UTKZUKDTSA-N 2 0 416.591 3.893 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466199559 991396942 /nfs/dbraw/zinc/39/69/42/991396942.db2.gz FDTYNGBGHCYSLR-YADARESESA-N 2 0 424.564 3.752 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466224015 991442467 /nfs/dbraw/zinc/44/24/67/991442467.db2.gz YRHPQBYZZKGBLS-BWKNWUBXSA-N 2 0 420.601 3.656 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285477 991533019 /nfs/dbraw/zinc/53/30/19/991533019.db2.gz FTCFTMWJWQLEON-OAQYLSRUSA-N 2 0 413.610 3.523 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cncc(Br)c3)CC2)cc1 ZINC000466360664 991630568 /nfs/dbraw/zinc/63/05/68/991630568.db2.gz HXCVLZKAYCSRQX-UHFFFAOYSA-N 2 0 404.352 3.855 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000466740811 992049908 /nfs/dbraw/zinc/04/99/08/992049908.db2.gz HSDRVGYRIANORB-UHFFFAOYSA-N 2 0 401.595 3.636 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467429005 992728112 /nfs/dbraw/zinc/72/81/12/992728112.db2.gz NOIIUDMFLRGJGM-NRFANRHFSA-N 2 0 424.427 3.532 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467836766 993068177 /nfs/dbraw/zinc/06/81/77/993068177.db2.gz RKYNDBSZWWGFGW-SFHVURJKSA-N 2 0 403.592 3.628 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319211 993330399 /nfs/dbraw/zinc/33/03/99/993330399.db2.gz UHVNQOKJJACOEK-JWQCQUIFSA-N 2 0 420.601 3.672 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sc(-c4cccnc4)nc3C)cn2)CC1 ZINC000480715261 993584571 /nfs/dbraw/zinc/58/45/71/993584571.db2.gz SFZXNABVTLMFDO-KRWDZBQOSA-N 2 0 422.602 3.901 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(OC(F)(F)F)cc43)cn2)CC1 ZINC000480737637 993603533 /nfs/dbraw/zinc/60/35/33/993603533.db2.gz JIGUAXZSBZWSEO-FQEVSTJZSA-N 2 0 420.479 3.899 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3OC(F)F)cn2)CC1 ZINC000480739478 993605789 /nfs/dbraw/zinc/60/57/89/993605789.db2.gz ZRGYWDYJPYVQMZ-OAHLLOKOSA-N 2 0 408.468 3.815 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472754756 993691189 /nfs/dbraw/zinc/69/11/89/993691189.db2.gz WEJDCLAQGPVVIZ-NRFANRHFSA-N 2 0 423.605 3.779 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000480907524 993764225 /nfs/dbraw/zinc/76/42/25/993764225.db2.gz GRSDASATTKNPDZ-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000480907527 993764338 /nfs/dbraw/zinc/76/43/38/993764338.db2.gz GRSDASATTKNPDZ-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000480911988 993768015 /nfs/dbraw/zinc/76/80/15/993768015.db2.gz PKYRPLCJCVARQF-UXHICEINSA-N 2 0 407.624 3.634 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000480970945 993812147 /nfs/dbraw/zinc/81/21/47/993812147.db2.gz MBLSRBBMHNAQKR-UTKZUKDTSA-N 2 0 416.541 3.812 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000473064981 993985455 /nfs/dbraw/zinc/98/54/55/993985455.db2.gz MCCDLKYNAHETOW-SFHVURJKSA-N 2 0 418.029 3.939 20 0 HHADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000481246220 994073078 /nfs/dbraw/zinc/07/30/78/994073078.db2.gz LEYZYCCAHVPVDK-INIZCTEOSA-N 2 0 408.468 3.625 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561856 994395957 /nfs/dbraw/zinc/39/59/57/994395957.db2.gz AZYRFEKMBSJBDA-NHCUHLMSSA-N 2 0 411.590 3.699 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000473556823 994420567 /nfs/dbraw/zinc/42/05/67/994420567.db2.gz XKHROMGNWGREOU-UHFFFAOYSA-N 2 0 401.620 3.762 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000481718815 994579968 /nfs/dbraw/zinc/57/99/68/994579968.db2.gz BPNXNQYBKGTIPG-OAHLLOKOSA-N 2 0 410.580 3.854 20 0 HHADRP CN1CCC([NH+]2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 ZINC000473728672 994623451 /nfs/dbraw/zinc/62/34/51/994623451.db2.gz LNMDIPUYMUEBLF-UHFFFAOYSA-N 2 0 403.876 3.647 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962926 994943944 /nfs/dbraw/zinc/94/39/44/994943944.db2.gz HEORZWNXYJKURW-SKWRMQMOSA-N 2 0 400.611 3.563 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000474013887 995004346 /nfs/dbraw/zinc/00/43/46/995004346.db2.gz VOOKVEFKRMTTDS-WOJBJXKFSA-N 2 0 400.611 3.707 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474033619 995024205 /nfs/dbraw/zinc/02/42/05/995024205.db2.gz KUCQDZWDYWQAQQ-CBNMVNINSA-N 2 0 404.986 3.793 20 0 HHADRP COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2OC)o1 ZINC000482197288 995176001 /nfs/dbraw/zinc/17/60/01/995176001.db2.gz HOAUNDGINOZQJH-QZTJIDSGSA-N 2 0 416.518 3.616 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000482244453 995225307 /nfs/dbraw/zinc/22/53/07/995225307.db2.gz NYLBCUZDWUREAP-SFHVURJKSA-N 2 0 405.542 3.991 20 0 HHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000482251619 995231090 /nfs/dbraw/zinc/23/10/90/995231090.db2.gz ZDOYEHNCKGXLQL-FQEVSTJZSA-N 2 0 409.574 3.891 20 0 HHADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000482259858 995238118 /nfs/dbraw/zinc/23/81/18/995238118.db2.gz HLGAVRHRAZDWES-DEOSSOPVSA-N 2 0 410.558 3.962 20 0 HHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482449826 995449082 /nfs/dbraw/zinc/44/90/82/995449082.db2.gz IMRXUCOLUIFSAL-KRWDZBQOSA-N 2 0 402.612 3.618 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000474517699 995481578 /nfs/dbraw/zinc/48/15/78/995481578.db2.gz LLTXYZDFFIWJFQ-WOJBJXKFSA-N 2 0 412.578 3.509 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525605 995491037 /nfs/dbraw/zinc/49/10/37/995491037.db2.gz RHUMYYMBKSIFEL-ONTIZHBOSA-N 2 0 400.611 3.516 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525606 995491165 /nfs/dbraw/zinc/49/11/65/995491165.db2.gz RHUMYYMBKSIFEL-PABCKOPISA-N 2 0 400.611 3.516 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532937 995540750 /nfs/dbraw/zinc/54/07/50/995540750.db2.gz LCVIACODOUUOII-AEFFLSMTSA-N 2 0 416.566 3.504 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000482563774 995570186 /nfs/dbraw/zinc/57/01/86/995570186.db2.gz ZTGWZCRNVVYNJZ-OALUTQOASA-N 2 0 422.552 3.960 20 0 HHADRP COc1ccc(C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000482570375 995575867 /nfs/dbraw/zinc/57/58/67/995575867.db2.gz VZMZNNNSSNULMN-VWLOTQADSA-N 2 0 411.590 3.605 20 0 HHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633344 995627378 /nfs/dbraw/zinc/62/73/78/995627378.db2.gz QHTHYRFSUVYDTR-VWNXMTODSA-N 2 0 411.565 3.880 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482635702 995629993 /nfs/dbraw/zinc/62/99/93/995629993.db2.gz VTZTWMMASDBBBR-LPHOPBHVSA-N 2 0 408.571 3.844 20 0 HHADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000474712680 995651390 /nfs/dbraw/zinc/65/13/90/995651390.db2.gz OBEZRAVKIJGGQY-OAHLLOKOSA-N 2 0 400.348 3.934 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000474719956 995657301 /nfs/dbraw/zinc/65/73/01/995657301.db2.gz OFNULHVLXKSKBZ-SELNLUPBSA-N 2 0 409.574 3.674 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000474802490 995715955 /nfs/dbraw/zinc/71/59/55/995715955.db2.gz XJTIIBFLEFVZJF-MOPGFXCFSA-N 2 0 412.574 3.942 20 0 HHADRP Cc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816973 995768939 /nfs/dbraw/zinc/76/89/39/995768939.db2.gz CTBBJDUDUHKNNC-DQEYMECFSA-N 2 0 405.586 3.803 20 0 HHADRP Cc1ccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821842 995772415 /nfs/dbraw/zinc/77/24/15/995772415.db2.gz LMVKCMJSUOZFLP-DQEYMECFSA-N 2 0 405.586 3.803 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837317 995782268 /nfs/dbraw/zinc/78/22/68/995782268.db2.gz JFLPRGGTXVSZRN-SMIHKQSGSA-N 2 0 412.622 3.660 20 0 HHADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482935950 995865512 /nfs/dbraw/zinc/86/55/12/995865512.db2.gz IWGXXOHLTSXIAO-UHFFFAOYSA-N 2 0 422.573 3.818 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475139363 995947770 /nfs/dbraw/zinc/94/77/70/995947770.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 2 0 408.590 3.943 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139452 995948182 /nfs/dbraw/zinc/94/81/82/995948182.db2.gz NMANSPRQQCMTHE-DVECYGJZSA-N 2 0 402.542 3.818 20 0 HHADRP C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483137003 995997106 /nfs/dbraw/zinc/99/71/06/995997106.db2.gz SPKPORRDCYFUQX-QGZVFWFLSA-N 2 0 423.648 3.607 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483199150 996033027 /nfs/dbraw/zinc/03/30/27/996033027.db2.gz RUCTWECZWSOTIB-FQEVSTJZSA-N 2 0 401.620 3.871 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000483208160 996038409 /nfs/dbraw/zinc/03/84/09/996038409.db2.gz YNUZANNPQUXQOU-HXUWFJFHSA-N 2 0 415.626 3.951 20 0 HHADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475278688 996041295 /nfs/dbraw/zinc/04/12/95/996041295.db2.gz JJJPVMNBOFWTDD-RBBKRZOGSA-N 2 0 419.569 3.953 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221346 996045387 /nfs/dbraw/zinc/04/53/87/996045387.db2.gz ZIRUWPSNNDMYMM-DENIHFKCSA-N 2 0 411.590 3.745 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475360119 996089093 /nfs/dbraw/zinc/08/90/93/996089093.db2.gz GICGAFYHUNJRDJ-UHFFFAOYSA-N 2 0 410.606 3.701 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483417582 996165386 /nfs/dbraw/zinc/16/53/86/996165386.db2.gz YMJCICFVKHUWBG-RXFWQSSRSA-N 2 0 423.576 3.958 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475559107 996218448 /nfs/dbraw/zinc/21/84/48/996218448.db2.gz CFFNYHJMSSNALB-NNGSBXSVSA-N 2 0 421.607 3.865 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483611696 996285771 /nfs/dbraw/zinc/28/57/71/996285771.db2.gz FUMROZVMZVBQLX-UHFFFAOYSA-N 2 0 416.635 3.806 20 0 HHADRP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627393 996295153 /nfs/dbraw/zinc/29/51/53/996295153.db2.gz VGPBWIIBOYAGQS-MGPUTAFESA-N 2 0 409.496 3.831 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483680698 996325475 /nfs/dbraw/zinc/32/54/75/996325475.db2.gz JKURKYHQZKXGKE-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC)c1 ZINC000483705538 996339443 /nfs/dbraw/zinc/33/94/43/996339443.db2.gz BVZNLTTYMICUFR-HSZRJFAPSA-N 2 0 416.610 3.784 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000483863214 996433643 /nfs/dbraw/zinc/43/36/43/996433643.db2.gz BNGLLBRQYDMHIU-JAXLGGSGSA-N 2 0 416.610 3.928 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483894107 996454034 /nfs/dbraw/zinc/45/40/34/996454034.db2.gz GPZPUXKAEQAHMR-OAQYLSRUSA-N 2 0 416.635 3.618 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483991962 996509999 /nfs/dbraw/zinc/50/99/99/996509999.db2.gz GRUXDRIWISEKAE-QFIPXVFZSA-N 2 0 412.622 3.947 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476012469 996540573 /nfs/dbraw/zinc/54/05/73/996540573.db2.gz RMXQHDYXVZFZPC-UHFFFAOYSA-N 2 0 422.564 3.835 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000484279702 996675790 /nfs/dbraw/zinc/67/57/90/996675790.db2.gz RHKZVBKNKPSIMK-CQSZACIVSA-N 2 0 415.500 3.704 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000484331993 996708810 /nfs/dbraw/zinc/70/88/10/996708810.db2.gz YAGQASMNQLQHIO-FDDCHVKYSA-N 2 0 407.558 3.529 20 0 HHADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000484467876 996787564 /nfs/dbraw/zinc/78/75/64/996787564.db2.gz AACVWISPTPPHMY-AZUAARDMSA-N 2 0 413.562 3.574 20 0 HHADRP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484470542 996790874 /nfs/dbraw/zinc/79/08/74/996790874.db2.gz FYANDZCFWJIGBX-NRFANRHFSA-N 2 0 423.601 3.759 20 0 HHADRP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484470545 996791111 /nfs/dbraw/zinc/79/11/11/996791111.db2.gz FYANDZCFWJIGBX-OAQYLSRUSA-N 2 0 423.601 3.759 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000484478176 996798629 /nfs/dbraw/zinc/79/86/29/996798629.db2.gz ZNKSFSSOMNEWFT-IBGZPJMESA-N 2 0 402.583 3.942 20 0 HHADRP COCCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000484479758 996799393 /nfs/dbraw/zinc/79/93/93/996799393.db2.gz ZBFQZGJBIQSNNL-HXUWFJFHSA-N 2 0 412.416 3.532 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483045 996804306 /nfs/dbraw/zinc/80/43/06/996804306.db2.gz LGMQLXONEWKNEL-QFQXNSOFSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484484763 996805839 /nfs/dbraw/zinc/80/58/39/996805839.db2.gz OHHLOLUFXPNRBM-UFYCRDLUSA-N 2 0 417.619 3.759 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624014 997143594 /nfs/dbraw/zinc/14/35/94/997143594.db2.gz HZCOJVPRTFKCRQ-YKSBVNFPSA-N 2 0 424.589 3.652 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1C ZINC000485016567 997381712 /nfs/dbraw/zinc/38/17/12/997381712.db2.gz KNAWDDVSJRMYEZ-RXVVDRJESA-N 2 0 404.624 3.614 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1C ZINC000485016564 997381906 /nfs/dbraw/zinc/38/19/06/997381906.db2.gz KNAWDDVSJRMYEZ-GHTZIAJQSA-N 2 0 404.624 3.614 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000476849595 997416284 /nfs/dbraw/zinc/41/62/84/997416284.db2.gz VFIBBEDCJDFBQK-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476876437 997454987 /nfs/dbraw/zinc/45/49/87/997454987.db2.gz YQABAXWLHBTHEZ-LAUBAEHRSA-N 2 0 404.986 3.573 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986361 997610575 /nfs/dbraw/zinc/61/05/75/997610575.db2.gz PLPAPCCHJRMYJJ-XXBNENTESA-N 2 0 402.579 3.605 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476990989 997616704 /nfs/dbraw/zinc/61/67/04/997616704.db2.gz XZCJSCWRSQJBLJ-VQTJNVASSA-N 2 0 401.595 3.676 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343554 997763053 /nfs/dbraw/zinc/76/30/53/997763053.db2.gz HOICMOQHWZJXQJ-XXBNENTESA-N 2 0 410.537 3.723 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385763 997813744 /nfs/dbraw/zinc/81/37/44/997813744.db2.gz OJIAKAHBLNPHHV-CUWPLCDZSA-N 2 0 400.592 3.561 20 0 HHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397706 997826098 /nfs/dbraw/zinc/82/60/98/997826098.db2.gz BHUQNQDVNQAAPV-FDDCHVKYSA-N 2 0 418.528 3.705 20 0 HHADRP C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399171 997829258 /nfs/dbraw/zinc/82/92/58/997829258.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 2 0 420.601 3.645 20 0 HHADRP CCOc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000485400529 997831348 /nfs/dbraw/zinc/83/13/48/997831348.db2.gz BVUOWNGPOQJSSE-WOJBJXKFSA-N 2 0 417.594 3.625 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@@H]21 ZINC000485602085 998049192 /nfs/dbraw/zinc/04/91/92/998049192.db2.gz QCJYIKFJOSANML-IRLDBZIGSA-N 2 0 419.013 3.678 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249798 /nfs/dbraw/zinc/24/97/98/998249798.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 2 0 412.622 3.585 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485818401 998284794 /nfs/dbraw/zinc/28/47/94/998284794.db2.gz VTTRVEUQBOTRHI-IBGZPJMESA-N 2 0 422.598 3.990 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255346 998678469 /nfs/dbraw/zinc/67/84/69/998678469.db2.gz VDROZJUWGZTSDG-FUDKSRODSA-N 2 0 400.611 3.851 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045191 998732166 /nfs/dbraw/zinc/73/21/66/998732166.db2.gz WHPDCDQCHPDPSC-YFNKSVMNSA-N 2 0 410.606 3.555 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000478323128 998887832 /nfs/dbraw/zinc/88/78/32/998887832.db2.gz MZOGTAXXJBUYGB-HSZRJFAPSA-N 2 0 409.578 3.634 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000478459105 998971165 /nfs/dbraw/zinc/97/11/65/998971165.db2.gz MUCITLFHTIJOIU-UHFFFAOYSA-N 2 0 424.589 3.564 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000478626181 999051975 /nfs/dbraw/zinc/05/19/75/999051975.db2.gz IBPMXJPIEGEBDA-FQEVSTJZSA-N 2 0 401.595 3.744 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000487390468 999157361 /nfs/dbraw/zinc/15/73/61/999157361.db2.gz VNZKMEAVWPLBEO-QHCPKHFHSA-N 2 0 409.574 3.546 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219225 /nfs/dbraw/zinc/21/92/25/999219225.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 2 0 413.009 3.704 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000479267661 999356199 /nfs/dbraw/zinc/35/61/99/999356199.db2.gz WKFQJYLYHQATAD-MRXNPFEDSA-N 2 0 424.427 3.596 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000479294871 999370516 /nfs/dbraw/zinc/37/05/16/999370516.db2.gz UPBJGDJHVXTWNP-UWJYYQICSA-N 2 0 402.380 3.764 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000479302992 999374607 /nfs/dbraw/zinc/37/46/07/999374607.db2.gz WBNXXNMQWATCPX-HRAATJIYSA-N 2 0 403.364 3.737 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000479335911 999391258 /nfs/dbraw/zinc/39/12/58/999391258.db2.gz MYJSKKXDVGPXLT-XZOQPEGZSA-N 2 0 409.574 3.660 20 0 HHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368547 999407209 /nfs/dbraw/zinc/40/72/09/999407209.db2.gz ZIJWFUNUWLNQDI-OLZOCXBDSA-N 2 0 410.411 3.802 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437282 999416899 /nfs/dbraw/zinc/41/68/99/999416899.db2.gz LRSXEWIUQVLWJF-UPVQGACJSA-N 2 0 402.542 3.606 20 0 HHADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444520 999420590 /nfs/dbraw/zinc/42/05/90/999420590.db2.gz IWGQFRLOIUTYRB-URXFXBBRSA-N 2 0 405.546 3.530 20 0 HHADRP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000488416729 999480958 /nfs/dbraw/zinc/48/09/58/999480958.db2.gz CKOHWLVPWQLSDK-UHFFFAOYSA-N 2 0 406.574 3.591 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666278 999564433 /nfs/dbraw/zinc/56/44/33/999564433.db2.gz FKFNWZJMONFZBH-ZJSXRUAMSA-N 2 0 420.601 3.782 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1Cl ZINC000479768297 999581230 /nfs/dbraw/zinc/58/12/30/999581230.db2.gz JBPHLWSCXIDNRI-DLBZAZTESA-N 2 0 424.010 3.982 20 0 HHADRP C[C@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000489080102 999692800 /nfs/dbraw/zinc/69/28/00/999692800.db2.gz SSVJJAWOOPCUOB-RUZDIDTESA-N 2 0 421.589 3.652 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000489210022 999723219 /nfs/dbraw/zinc/72/32/19/999723219.db2.gz ZXQPTVQMQGRKGT-CNNODRBYSA-N 2 0 414.619 3.951 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229496 999726757 /nfs/dbraw/zinc/72/67/57/999726757.db2.gz YFGKMIRTNGDBOP-NLWGTHIKSA-N 2 0 418.607 3.982 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489236151 999728059 /nfs/dbraw/zinc/72/80/59/999728059.db2.gz RTUUTEVSLZPOOY-QHCPKHFHSA-N 2 0 400.611 3.947 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249960 999730173 /nfs/dbraw/zinc/73/01/73/999730173.db2.gz PGJNHADIFJPMGQ-PXNSSMCTSA-N 2 0 418.607 3.982 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480147510 999730453 /nfs/dbraw/zinc/73/04/53/999730453.db2.gz YNFZQRBGGOBBEE-IBGZPJMESA-N 2 0 415.603 3.774 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753896 /nfs/dbraw/zinc/75/38/96/999753896.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 2 0 422.617 3.691 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244046 999755011 /nfs/dbraw/zinc/75/50/11/999755011.db2.gz UMVGYELZCYGFHA-HSALFYBXSA-N 2 0 405.546 3.727 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000489458134 999771704 /nfs/dbraw/zinc/77/17/04/999771704.db2.gz MCSYGKDRHVWQPM-HSZRJFAPSA-N 2 0 412.622 3.949 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489491230 999777473 /nfs/dbraw/zinc/77/74/73/999777473.db2.gz CDZCPUFQWGOWSV-XMMPIXPASA-N 2 0 421.585 3.860 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498775 999778946 /nfs/dbraw/zinc/77/89/46/999778946.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 2 0 420.601 3.645 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530364 999785534 /nfs/dbraw/zinc/78/55/34/999785534.db2.gz LZGABVWSEMATAQ-AUSIDOKSSA-N 2 0 410.562 3.659 20 0 HHADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000480521132 999817474 /nfs/dbraw/zinc/81/74/74/999817474.db2.gz APTDFDSFDBUYOF-DQEYMECFSA-N 2 0 413.581 3.980 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489705649 999821232 /nfs/dbraw/zinc/82/12/32/999821232.db2.gz ASMSJACZXWNPHD-HSZRJFAPSA-N 2 0 420.601 3.646 20 0 HHADRP COc1ccc(C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccc(OC)cc2)cc1 ZINC000480553654 999825035 /nfs/dbraw/zinc/82/50/35/999825035.db2.gz LGPVZCXCLNMJOT-VWLOTQADSA-N 2 0 411.590 3.603 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730564 999826664 /nfs/dbraw/zinc/82/66/64/999826664.db2.gz XRDJWZMUHRBGPF-PYSZQBSGSA-N 2 0 412.622 3.515 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480594722 999836336 /nfs/dbraw/zinc/83/63/36/999836336.db2.gz MNPLWZFHSSBLCQ-GJZUVCINSA-N 2 0 407.602 3.950 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000480608503 999839675 /nfs/dbraw/zinc/83/96/75/999839675.db2.gz JTEMEOJQJWYODU-CPJSRVTESA-N 2 0 411.590 3.603 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824930 999844694 /nfs/dbraw/zinc/84/46/94/999844694.db2.gz DLPUKDPUEDAESA-GBAAUQCPSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489896263 999857704 /nfs/dbraw/zinc/85/77/04/999857704.db2.gz ITECRFAVVCZAFQ-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)c(Br)c3)cn2)CC1 ZINC000480688661 999859594 /nfs/dbraw/zinc/85/95/94/999859594.db2.gz IJUOFVYGAHAYQB-OAHLLOKOSA-N 2 0 421.358 3.976 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693260 999860865 /nfs/dbraw/zinc/86/08/65/999860865.db2.gz LVUBWGURNGAAHS-QHCPKHFHSA-N 2 0 409.574 3.836 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000480695220 999861433 /nfs/dbraw/zinc/86/14/33/999861433.db2.gz QUIWPUMJFSCVDZ-QFIPXVFZSA-N 2 0 417.601 3.920 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000480695942 999861755 /nfs/dbraw/zinc/86/17/55/999861755.db2.gz VDCVCDBRSRDTIV-NRFANRHFSA-N 2 0 420.601 3.802 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490354379 999943280 /nfs/dbraw/zinc/94/32/80/999943280.db2.gz LJHFCWVKOPBLOR-HLAWJBBLSA-N 2 0 417.395 3.926 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490355636 999943568 /nfs/dbraw/zinc/94/35/68/999943568.db2.gz QSBLKVBTSRJBBF-DFQSSKMNSA-N 2 0 403.368 3.536 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987270 1000030602 /nfs/dbraw/zinc/03/06/02/1000030602.db2.gz JECUWBIRVDRUDJ-JFJDKTSWSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490994224 1000031694 /nfs/dbraw/zinc/03/16/94/1000031694.db2.gz KHIYDNPWJGEBFW-OFVILXPXSA-N 2 0 409.574 3.816 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000491062376 1000041277 /nfs/dbraw/zinc/04/12/77/1000041277.db2.gz REIXOBVBSRTLGY-NRFANRHFSA-N 2 0 402.966 3.924 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000493827476 1000196155 /nfs/dbraw/zinc/19/61/55/1000196155.db2.gz ZRQBOJWSWARVHL-WXFUMESZSA-N 2 0 414.590 3.614 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000504583797 1000280509 /nfs/dbraw/zinc/28/05/09/1000280509.db2.gz ZXJXSTKHXUFLPP-SFHVURJKSA-N 2 0 412.553 3.520 20 0 HHADRP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070209 1000294399 /nfs/dbraw/zinc/29/43/99/1000294399.db2.gz VTXLFIJNODTNLD-WMZHIEFXSA-N 2 0 409.599 3.628 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504871241 1000417613 /nfs/dbraw/zinc/41/76/13/1000417613.db2.gz XAUCSCVBVVJFCQ-RXVVDRJESA-N 2 0 412.603 3.631 20 0 HHADRP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504887139 1000428435 /nfs/dbraw/zinc/42/84/35/1000428435.db2.gz AIBPLBJVIABBPN-SIKLNZKXSA-N 2 0 410.562 3.553 20 0 HHADRP CC(C)(CCCc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000494712598 1000616927 /nfs/dbraw/zinc/61/69/27/1000616927.db2.gz DYSVZTZHVLETQM-UHFFFAOYSA-N 2 0 408.590 3.759 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766046 1001012528 /nfs/dbraw/zinc/01/25/28/1001012528.db2.gz KTBPNLWBGGHXNR-NFBKMPQASA-N 2 0 412.603 3.658 20 0 HHADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505891257 1001083567 /nfs/dbraw/zinc/08/35/67/1001083567.db2.gz IVNSOTLKIZTNBE-VXKWHMMOSA-N 2 0 413.512 3.535 20 0 HHADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cc1F ZINC000506028677 1001173853 /nfs/dbraw/zinc/17/38/53/1001173853.db2.gz XKXRLNCGSGSTFD-UHFFFAOYSA-N 2 0 411.949 3.632 20 0 HHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000506047026 1001189618 /nfs/dbraw/zinc/18/96/18/1001189618.db2.gz GJADEYCTPLBGSO-OAQYLSRUSA-N 2 0 401.595 3.763 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176348 1001261039 /nfs/dbraw/zinc/26/10/39/1001261039.db2.gz XMJMIQAAILRZGT-MRXNPFEDSA-N 2 0 422.545 3.576 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506191211 1001269425 /nfs/dbraw/zinc/26/94/25/1001269425.db2.gz OQHZNJDQPRKQIW-OAQYLSRUSA-N 2 0 402.583 3.714 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000497318714 1001289834 /nfs/dbraw/zinc/28/98/34/1001289834.db2.gz BQUAENVYYVDITH-SFHVURJKSA-N 2 0 409.530 3.908 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446151 1001369330 /nfs/dbraw/zinc/36/93/30/1001369330.db2.gz SCQKNKJMBXERQB-DYESRHJHSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565954 1001438188 /nfs/dbraw/zinc/43/81/88/1001438188.db2.gz GZHIQXSIYRLRAN-GBXCKJPGSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451558 /nfs/dbraw/zinc/45/15/58/1001451558.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 2 0 407.549 3.772 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000497601601 1001454447 /nfs/dbraw/zinc/45/44/47/1001454447.db2.gz RJGPYSITJFZKGO-LJQANCHMSA-N 2 0 414.516 3.826 20 0 HHADRP C[NH+](C)CCCC1CCN(c2cc(N3CCC(CCC[NH+](C)C)CC3)ncn2)CC1 ZINC000497756501 1001505640 /nfs/dbraw/zinc/50/56/40/1001505640.db2.gz IQSIQCKTAYRSCX-UHFFFAOYSA-N 2 0 416.658 3.593 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000498023475 1001610030 /nfs/dbraw/zinc/61/00/30/1001610030.db2.gz BNILXQHGGMALNG-UGKGYDQZSA-N 2 0 412.603 3.657 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121460 1001650556 /nfs/dbraw/zinc/65/05/56/1001650556.db2.gz QOFXOPFBGVZHPM-APTRMMRNSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000498143897 1001661688 /nfs/dbraw/zinc/66/16/88/1001661688.db2.gz FZBJJHGUYGDRLT-XXBNENTESA-N 2 0 410.562 3.680 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952213 1001725000 /nfs/dbraw/zinc/72/50/00/1001725000.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 2 0 412.622 3.731 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303951 1001985370 /nfs/dbraw/zinc/98/53/70/1001985370.db2.gz KGLCLOHFRGWBQX-MSYCTHLASA-N 2 0 401.599 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000507390219 1002043655 /nfs/dbraw/zinc/04/36/55/1002043655.db2.gz KGZFBEWUXYNQRT-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507518348 1002128610 /nfs/dbraw/zinc/12/86/10/1002128610.db2.gz CPWSJIYBEHIKLD-FGCOXFRFSA-N 2 0 417.553 3.563 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000507953749 1002487174 /nfs/dbraw/zinc/48/71/74/1002487174.db2.gz UANIAOQEXNBVNT-UHFFFAOYSA-N 2 0 415.622 3.814 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104558 1002496677 /nfs/dbraw/zinc/49/66/77/1002496677.db2.gz WYBXKEBBJSQKNG-YFXJRYMSSA-N 2 0 412.553 3.638 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499110637 1002501191 /nfs/dbraw/zinc/50/11/91/1002501191.db2.gz KYKGULWNXYFIJK-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148869 1002531876 /nfs/dbraw/zinc/53/18/76/1002531876.db2.gz UIGFGNGJEOYEPU-JLLPCOHGSA-N 2 0 405.590 3.793 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499150365 1002534705 /nfs/dbraw/zinc/53/47/05/1002534705.db2.gz XXIYGAKOUPKXLD-MPIKPJSNSA-N 3 0 407.602 3.955 20 0 HHADRP c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155016 1002539453 /nfs/dbraw/zinc/53/94/53/1002539453.db2.gz GGXINKXOSITPMG-QYOOZWMWSA-N 2 0 405.586 3.673 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]1CCCC1 ZINC000508022942 1002546713 /nfs/dbraw/zinc/54/67/13/1002546713.db2.gz AZKYUZHNTAAEQS-OAQYLSRUSA-N 2 0 404.599 3.592 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000508339878 1002843160 /nfs/dbraw/zinc/84/31/60/1002843160.db2.gz PVXTZVHFURNRPQ-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508478586 1002962853 /nfs/dbraw/zinc/96/28/53/1002962853.db2.gz SVBTWIFXMNAVPT-HXUWFJFHSA-N 2 0 415.628 3.864 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508868488 1003288600 /nfs/dbraw/zinc/28/86/00/1003288600.db2.gz FTTNQADKGBHRNJ-XXBNENTESA-N 2 0 412.578 3.885 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508883027 1003306623 /nfs/dbraw/zinc/30/66/23/1003306623.db2.gz SPGCWUJHVWHBHJ-GCJKJVERSA-N 2 0 400.542 3.590 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000508883285 1003307043 /nfs/dbraw/zinc/30/70/43/1003307043.db2.gz VGSXTIQXWPWZBU-VGOFRKELSA-N 2 0 418.532 3.729 20 0 HHADRP Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C(C)C ZINC000500024767 1003350799 /nfs/dbraw/zinc/35/07/99/1003350799.db2.gz KIJOVUSRRBSLIM-OAQYLSRUSA-N 2 0 424.589 3.609 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508924444 1003364410 /nfs/dbraw/zinc/36/44/10/1003364410.db2.gz PPSRNADXDIGZRE-GCJKJVERSA-N 2 0 400.542 3.590 20 0 HHADRP CCCc1sc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1CC ZINC000500067099 1003417031 /nfs/dbraw/zinc/41/70/31/1003417031.db2.gz YRGPWRCZFFOSGQ-UHFFFAOYSA-N 2 0 400.592 3.600 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000500164721 1003518095 /nfs/dbraw/zinc/51/80/95/1003518095.db2.gz URTMXWVEIRKQGW-FQEVSTJZSA-N 2 0 408.590 3.774 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000500167660 1003520242 /nfs/dbraw/zinc/52/02/42/1003520242.db2.gz YKECCEPARGIQET-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509373339 1003800066 /nfs/dbraw/zinc/80/00/66/1003800066.db2.gz PJCZUYZGKJUVFN-QGZVFWFLSA-N 2 0 402.608 3.583 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000511832409 1003807531 /nfs/dbraw/zinc/80/75/31/1003807531.db2.gz ABSQJSWBDDOCJU-VWLOTQADSA-N 2 0 423.601 3.704 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000500601994 1003816887 /nfs/dbraw/zinc/81/68/87/1003816887.db2.gz MUSKZOWCIHAVMO-JTHBVZDNSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000500606544 1003822851 /nfs/dbraw/zinc/82/28/51/1003822851.db2.gz JYVJKZHLHFQOED-YDPRHXJPSA-N 2 0 416.610 3.640 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000500678016 1003886772 /nfs/dbraw/zinc/88/67/72/1003886772.db2.gz KDOLESXWXDSJQB-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC000509536829 1003930513 /nfs/dbraw/zinc/93/05/13/1003930513.db2.gz DHOUCMFVCFVWBT-UHFFFAOYSA-N 2 0 412.544 3.514 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500787850 1003956631 /nfs/dbraw/zinc/95/66/31/1003956631.db2.gz RXPLMUFSQXOLAI-QFIPXVFZSA-N 2 0 401.599 3.594 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579140 1003957300 /nfs/dbraw/zinc/95/73/00/1003957300.db2.gz TZZQNTRZQNGCFY-ACRUOGEOSA-N 2 0 404.599 3.862 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594403 1003968183 /nfs/dbraw/zinc/96/81/83/1003968183.db2.gz FDGJDCUMBYRMJH-KSEOMHKRSA-N 2 0 412.578 3.872 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500818366 1003977876 /nfs/dbraw/zinc/97/78/76/1003977876.db2.gz PRJPIGHZCNFQLO-XMMPIXPASA-N 2 0 421.589 3.777 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512088244 1004014026 /nfs/dbraw/zinc/01/40/26/1004014026.db2.gz NOQNFAVQZFBTFO-BETUJISGSA-N 2 0 407.365 3.595 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1)C(C)C ZINC000512105377 1004027108 /nfs/dbraw/zinc/02/71/08/1004027108.db2.gz KLXFQEOOYNKTRD-UHFFFAOYSA-N 2 0 424.545 3.639 20 0 HHADRP Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)sc1Br ZINC000512124082 1004040160 /nfs/dbraw/zinc/04/01/60/1004040160.db2.gz QGECAPNKYLAHDX-AWEZNQCLSA-N 2 0 409.397 3.817 20 0 HHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)sc1Br ZINC000512146268 1004056533 /nfs/dbraw/zinc/05/65/33/1004056533.db2.gz OPZHZFJZMXWSPA-CQSZACIVSA-N 2 0 409.397 3.817 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512150519 1004059937 /nfs/dbraw/zinc/05/99/37/1004059937.db2.gz VIDSJYJLGQEIHX-UHFFFAOYSA-N 2 0 423.626 3.877 20 0 HHADRP CC(C)(CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C[NH+]1CCCC1 ZINC000512172873 1004075628 /nfs/dbraw/zinc/07/56/28/1004075628.db2.gz PSQUSCMHXGERBE-OAQYLSRUSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509766221 1004081502 /nfs/dbraw/zinc/08/15/02/1004081502.db2.gz HACRPVMRDRRLIN-FPOVZHCZSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000512195898 1004096359 /nfs/dbraw/zinc/09/63/59/1004096359.db2.gz OHGVIBPGUTUXDJ-CEWHCAETSA-N 2 0 410.650 3.804 20 0 HHADRP CCN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501017748 1004120610 /nfs/dbraw/zinc/12/06/10/1004120610.db2.gz BRSHIJMQKLEBCA-LJQANCHMSA-N 2 0 412.553 3.979 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018722 1004121417 /nfs/dbraw/zinc/12/14/17/1004121417.db2.gz FXTOZNOTZZQLSM-RBUKOAKNSA-N 2 0 410.562 3.504 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019544 1004121694 /nfs/dbraw/zinc/12/16/94/1004121694.db2.gz JVZXCWVYWCNYHP-UHFFFAOYSA-N 2 0 406.452 3.887 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000501051259 1004153407 /nfs/dbraw/zinc/15/34/07/1004153407.db2.gz IGAONSJLTMXKLY-MRXNPFEDSA-N 2 0 404.546 3.757 20 0 HHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]2CCCC[C@@H]12 ZINC000501056487 1004158690 /nfs/dbraw/zinc/15/86/90/1004158690.db2.gz DKGAHEYMPLLLKL-ZROJVYTPSA-N 2 0 420.686 3.586 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501067162 1004169485 /nfs/dbraw/zinc/16/94/85/1004169485.db2.gz BKWILOLTQCEZEP-UHFFFAOYSA-N 2 0 415.626 3.698 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068888 1004171466 /nfs/dbraw/zinc/17/14/66/1004171466.db2.gz ASGPMOLTEHLTFH-OFNKIYASSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501073730 1004176656 /nfs/dbraw/zinc/17/66/56/1004176656.db2.gz FZBDFHGJSNHHEN-DEOSSOPVSA-N 2 0 406.574 3.814 20 0 HHADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195786 /nfs/dbraw/zinc/19/57/86/1004195786.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 2 0 403.570 3.559 20 0 HHADRP CN(C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000501093677 1004198883 /nfs/dbraw/zinc/19/88/83/1004198883.db2.gz ZGEFRHOSMSTXEZ-WQBCWGSGSA-N 2 0 422.976 3.739 20 0 HHADRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312535 1004209353 /nfs/dbraw/zinc/20/93/53/1004209353.db2.gz DREYQXSUKJDVEC-DXIQSLLYSA-N 2 0 401.595 3.847 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172979 1004253917 /nfs/dbraw/zinc/25/39/17/1004253917.db2.gz JNSYTBJDUSLUMB-NHCUHLMSSA-N 2 0 400.592 3.705 20 0 HHADRP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000501176447 1004256640 /nfs/dbraw/zinc/25/66/40/1004256640.db2.gz RUCZVVCFSIFXJN-HSZRJFAPSA-N 2 0 400.611 3.838 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000510037162 1004281143 /nfs/dbraw/zinc/28/11/43/1004281143.db2.gz AZBBNTSRIIZORN-LJQANCHMSA-N 2 0 415.607 3.614 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512429302 1004295702 /nfs/dbraw/zinc/29/57/02/1004295702.db2.gz FJLGDKHONUVADX-NFBKMPQASA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429790 1004296747 /nfs/dbraw/zinc/29/67/47/1004296747.db2.gz JOIGMKMJWSZDFT-BUZMGHMJSA-N 2 0 412.622 3.944 20 0 HHADRP CC[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000501337974 1004355624 /nfs/dbraw/zinc/35/56/24/1004355624.db2.gz ZKRJWCNMMXDGMF-FGZHOGPDSA-N 2 0 410.562 3.553 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)(N2CCCCC2)CC1 ZINC000501457162 1004435621 /nfs/dbraw/zinc/43/56/21/1004435621.db2.gz WFDACFQNMDRGOA-UHFFFAOYSA-N 2 0 416.354 3.767 20 0 HHADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512637344 1004449396 /nfs/dbraw/zinc/44/93/96/1004449396.db2.gz UXDKCNLUORFZAY-UBFVSLLYSA-N 2 0 405.586 3.821 20 0 HHADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512637343 1004449454 /nfs/dbraw/zinc/44/94/54/1004449454.db2.gz UXDKCNLUORFZAY-ISJGIBHGSA-N 2 0 405.586 3.821 20 0 HHADRP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653967 1004466208 /nfs/dbraw/zinc/46/62/08/1004466208.db2.gz IGSFBTJYMCQLSB-QPTUXGOLSA-N 2 0 408.542 3.629 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1Cl ZINC000510350711 1004500830 /nfs/dbraw/zinc/50/08/30/1004500830.db2.gz KOUJQGSXVRYZIN-FQEVSTJZSA-N 2 0 407.002 3.993 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713327 1004511987 /nfs/dbraw/zinc/51/19/87/1004511987.db2.gz ZLSWWAIIHBYQOH-RBUKOAKNSA-N 2 0 402.583 3.538 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000501583603 1004533520 /nfs/dbraw/zinc/53/35/20/1004533520.db2.gz XSGGYTIRHQCGIW-QFIPXVFZSA-N 2 0 416.610 3.786 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000501590503 1004537948 /nfs/dbraw/zinc/53/79/48/1004537948.db2.gz COVSMENCTQWYRR-UHFFFAOYSA-N 2 0 401.514 3.631 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)C[C@@H](C)O1 ZINC000510410363 1004546693 /nfs/dbraw/zinc/54/66/93/1004546693.db2.gz GDFCSLLHGIFADU-WOJBJXKFSA-N 2 0 404.558 3.986 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510410359 1004546994 /nfs/dbraw/zinc/54/69/94/1004546994.db2.gz GDFCSLLHGIFADU-BGYRXZFFSA-N 2 0 404.558 3.986 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000512800963 1004566612 /nfs/dbraw/zinc/56/66/12/1004566612.db2.gz BTKPRNKNLZFQSG-KAGYGMCKSA-N 2 0 404.599 3.591 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512853135 1004616781 /nfs/dbraw/zinc/61/67/81/1004616781.db2.gz TZPZBZHQZMKDRX-UXHICEINSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000501776748 1004715487 /nfs/dbraw/zinc/71/54/87/1004715487.db2.gz RQLMIDUFFIXJLS-MRXNPFEDSA-N 2 0 415.500 3.816 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC1 ZINC000501913682 1004808026 /nfs/dbraw/zinc/80/80/26/1004808026.db2.gz DSKKBVOQLCZIKY-RCZVLFRGSA-N 2 0 423.605 3.506 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000513212480 1004863419 /nfs/dbraw/zinc/86/34/19/1004863419.db2.gz MHYBBKFXTYLYIC-IBGZPJMESA-N 2 0 411.569 3.682 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883094 1004909362 /nfs/dbraw/zinc/90/93/62/1004909362.db2.gz OCXBGQIGLKIIIZ-SFTDATJTSA-N 2 0 414.619 3.951 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000513346430 1004921339 /nfs/dbraw/zinc/92/13/39/1004921339.db2.gz VBQOLSVKAFZSAB-JTHBVZDNSA-N 2 0 400.611 3.615 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000513350484 1004922955 /nfs/dbraw/zinc/92/29/55/1004922955.db2.gz DUSBJTFHZQTJLZ-OYRHEFFESA-N 2 0 421.585 3.822 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000513356788 1004924761 /nfs/dbraw/zinc/92/47/61/1004924761.db2.gz IHLQCMPYQVUPHN-XXBNENTESA-N 2 0 402.627 3.860 20 0 HHADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510910022 1004926634 /nfs/dbraw/zinc/92/66/34/1004926634.db2.gz FATKNODLODLEJX-LOSJGSFVSA-N 2 0 420.601 3.828 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000513373898 1004932077 /nfs/dbraw/zinc/93/20/77/1004932077.db2.gz UGIBIQQHUACYMB-HNTVYWHESA-N 2 0 400.611 3.754 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000513400418 1004944981 /nfs/dbraw/zinc/94/49/81/1004944981.db2.gz YAUQZHBYZTTXAV-QHCPKHFHSA-N 2 0 424.585 3.832 20 0 HHADRP CCc1cc(OC)ccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000502287218 1004994507 /nfs/dbraw/zinc/99/45/07/1004994507.db2.gz ZKMXXWZCSXPOCH-UHFFFAOYSA-N 2 0 423.601 3.718 20 0 HHADRP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1OCc1ccccc1 ZINC000513510013 1004997147 /nfs/dbraw/zinc/99/71/47/1004997147.db2.gz XONNMLQOLIOKAG-DEOSSOPVSA-N 2 0 423.601 3.876 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[C@@H](c2ccccc2)C1 ZINC000513518438 1005002019 /nfs/dbraw/zinc/00/20/19/1005002019.db2.gz MKAUERKACIWYRE-CLJLJLNGSA-N 2 0 415.585 3.729 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000513587834 1005038030 /nfs/dbraw/zinc/03/80/30/1005038030.db2.gz BKLZKLHTKLBXMI-GUDVDZBRSA-N 2 0 413.537 3.942 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000513689334 1005083078 /nfs/dbraw/zinc/08/30/78/1005083078.db2.gz BNKAXWREKHJYFT-ZACQAIPSSA-N 2 0 402.560 3.995 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690783 1005083922 /nfs/dbraw/zinc/08/39/22/1005083922.db2.gz MDYOOBMWAQSXRH-ZCNNSNEGSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233259 1005084648 /nfs/dbraw/zinc/08/46/48/1005084648.db2.gz LLPLTGWEMFRZLZ-UXHICEINSA-N 2 0 422.683 3.690 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@H]3C2)cc1 ZINC000513697984 1005086760 /nfs/dbraw/zinc/08/67/60/1005086760.db2.gz VFNLWYIDHCRALW-SDHOMARFSA-N 2 0 420.601 3.699 20 0 HHADRP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[NH+](C)CC1 ZINC000511245356 1005088501 /nfs/dbraw/zinc/08/85/01/1005088501.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 2 0 410.606 3.867 20 0 HHADRP Cc1occc1C(=O)NC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000513762854 1005114447 /nfs/dbraw/zinc/11/44/47/1005114447.db2.gz TZQMAALQHOVGJK-UHFFFAOYSA-N 2 0 424.589 3.513 20 0 HHADRP Cc1ccc(-c2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs2)c(C)c1 ZINC000502571731 1005124121 /nfs/dbraw/zinc/12/41/21/1005124121.db2.gz MTDAFJMQSXULEW-UHFFFAOYSA-N 2 0 402.608 3.773 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000511376113 1005146255 /nfs/dbraw/zinc/14/62/55/1005146255.db2.gz GDKARSCEBHRVHQ-GOTSBHOMSA-N 2 0 401.982 3.953 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000513831117 1005149783 /nfs/dbraw/zinc/14/97/83/1005149783.db2.gz KMVRWMCNRSDJTK-OYRHEFFESA-N 2 0 415.622 3.880 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000511428435 1005172505 /nfs/dbraw/zinc/17/25/05/1005172505.db2.gz NSBZUUJWMOGVDT-HLAWJBBLSA-N 2 0 414.619 3.951 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463878 1005187121 /nfs/dbraw/zinc/18/71/21/1005187121.db2.gz QCHCYVNIUSMMGD-ZVDOUQERSA-N 2 0 402.583 3.677 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3cccs3)CC2)CC1 ZINC000502787411 1005217397 /nfs/dbraw/zinc/21/73/97/1005217397.db2.gz HUMCXJSLTLPMDC-UHFFFAOYSA-N 2 0 406.640 3.864 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797247 1005221981 /nfs/dbraw/zinc/22/19/81/1005221981.db2.gz UNPSDIOWUAMYNL-GGAORHGYSA-N 2 0 422.617 3.980 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000502814598 1005228787 /nfs/dbraw/zinc/22/87/87/1005228787.db2.gz YNSMGMGUVYMFKY-XMMPIXPASA-N 2 0 408.590 3.904 20 0 HHADRP CCC1(CNC(=O)NCCC2CC[NH+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514015731 1005229287 /nfs/dbraw/zinc/22/92/87/1005229287.db2.gz OBGPJPSKVXEJJD-UHFFFAOYSA-N 2 0 400.611 3.710 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000502840491 1005240103 /nfs/dbraw/zinc/24/01/03/1005240103.db2.gz HATVEBBLHSYZHK-UNMCSNQZSA-N 2 0 416.610 3.786 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000502863938 1005249176 /nfs/dbraw/zinc/24/91/76/1005249176.db2.gz SFMRPCIGEBGTGO-IRLDBZIGSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000511626820 1005250305 /nfs/dbraw/zinc/25/03/05/1005250305.db2.gz MIIJMCORZBDVGU-UHFFFAOYSA-N 2 0 415.622 3.706 20 0 HHADRP CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000514069196 1005252634 /nfs/dbraw/zinc/25/26/34/1005252634.db2.gz YBUHIJRVMITFBO-JOCHJYFZSA-N 2 0 409.578 3.680 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000502878027 1005255112 /nfs/dbraw/zinc/25/51/12/1005255112.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000502878026 1005255373 /nfs/dbraw/zinc/25/53/73/1005255373.db2.gz UIONLMWZPCTDOR-FGZHOGPDSA-N 2 0 400.611 3.662 20 0 HHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000502893593 1005262738 /nfs/dbraw/zinc/26/27/38/1005262738.db2.gz UKNSPJMARIEQEU-MRXNPFEDSA-N 2 0 415.475 3.779 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000514099284 1005264859 /nfs/dbraw/zinc/26/48/59/1005264859.db2.gz NAUJIUMQAMFQBA-KRWDZBQOSA-N 2 0 401.576 3.523 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716131 1005289809 /nfs/dbraw/zinc/28/98/09/1005289809.db2.gz OSOHPZREVPZDDS-KNKQGSTJSA-N 2 0 401.620 3.713 20 0 HHADRP CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502952634 1005290350 /nfs/dbraw/zinc/29/03/50/1005290350.db2.gz XJCOHVRXQLZMDT-UHFFFAOYSA-N 2 0 420.601 3.741 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000514175781 1005299146 /nfs/dbraw/zinc/29/91/46/1005299146.db2.gz FTPVIYVBSUOWCL-PMACEKPBSA-N 2 0 400.592 3.796 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000514181906 1005301327 /nfs/dbraw/zinc/30/13/27/1005301327.db2.gz GPSAMFLTAXXQFT-FQEVSTJZSA-N 2 0 406.640 3.942 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+]1CCCC1 ZINC000514196857 1005307970 /nfs/dbraw/zinc/30/79/70/1005307970.db2.gz DQEJZCIVGNFHTL-GOTSBHOMSA-N 2 0 424.589 3.743 20 0 HHADRP CCCOc1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc2ccccc21 ZINC000514237502 1005326811 /nfs/dbraw/zinc/32/68/11/1005326811.db2.gz JINWAUVGIHEKCW-HXUWFJFHSA-N 2 0 412.578 3.512 20 0 HHADRP COCc1ccccc1/C=C(/C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000514314492 1005336447 /nfs/dbraw/zinc/33/64/47/1005336447.db2.gz WSHVFWWRHHZASF-UZYVYHOESA-N 2 0 413.606 3.550 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511808069 1005338795 /nfs/dbraw/zinc/33/87/95/1005338795.db2.gz GJCLCKWDPDDIOF-UHFFFAOYSA-N 2 0 422.617 3.772 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503159572 1005359416 /nfs/dbraw/zinc/35/94/16/1005359416.db2.gz YERQIDQXJMGRFZ-QHCPKHFHSA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503282600 1005383153 /nfs/dbraw/zinc/38/31/53/1005383153.db2.gz KAHIVVMZUVXVMQ-ROUUACIJSA-N 2 0 400.394 3.829 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398551 1005408034 /nfs/dbraw/zinc/40/80/34/1005408034.db2.gz JXKBUGINOJADIT-GGAORHGYSA-N 2 0 400.611 3.505 20 0 HHADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503400023 1005408423 /nfs/dbraw/zinc/40/84/23/1005408423.db2.gz MZJGTCSBUOMMJU-BJKOFHAPSA-N 2 0 412.622 3.949 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503504852 1005439400 /nfs/dbraw/zinc/43/94/00/1005439400.db2.gz RXSZDTPGWWGBER-GOTSBHOMSA-N 2 0 424.589 3.670 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000504296839 1005591778 /nfs/dbraw/zinc/59/17/78/1005591778.db2.gz VEWGWQILTYJHQC-XZOQPEGZSA-N 2 0 406.574 3.841 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)Cc1ccccc1 ZINC000531167203 1006026130 /nfs/dbraw/zinc/02/61/30/1006026130.db2.gz GXPAPMJJTDDVBO-UHFFFAOYSA-N 2 0 405.586 3.636 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059910 1006031211 /nfs/dbraw/zinc/03/12/11/1006031211.db2.gz ZJHAUIZGRUBDIZ-GOSISDBHSA-N 2 0 400.792 3.707 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205722 1006198943 /nfs/dbraw/zinc/19/89/43/1006198943.db2.gz VZUUNTFNMQZUJO-MIALQEHNSA-N 2 0 410.965 3.644 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205720 1006199118 /nfs/dbraw/zinc/19/91/18/1006199118.db2.gz VZUUNTFNMQZUJO-AXVVYFOYSA-N 2 0 410.965 3.644 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000531443835 1006200436 /nfs/dbraw/zinc/20/04/36/1006200436.db2.gz RHAZFAVRZPHBMX-IBGZPJMESA-N 2 0 412.603 3.696 20 0 HHADRP Cc1csc2nc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cc(=O)n12 ZINC000534229521 1006228651 /nfs/dbraw/zinc/22/86/51/1006228651.db2.gz NHTQXGKLJFOHBH-UHFFFAOYSA-N 2 0 408.571 3.553 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCCC1 ZINC000534249433 1006257162 /nfs/dbraw/zinc/25/71/62/1006257162.db2.gz GJPSUVZQEGAEIV-JOCHJYFZSA-N 2 0 412.622 3.806 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000531531992 1006259410 /nfs/dbraw/zinc/25/94/10/1006259410.db2.gz LFAFDKYRFRTRBH-LJQANCHMSA-N 2 0 409.574 3.840 20 0 HHADRP Cc1ccc(-n2cc(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000531584456 1006286599 /nfs/dbraw/zinc/28/65/99/1006286599.db2.gz MXIUCDQHUGGCCP-HSZRJFAPSA-N 2 0 411.638 3.840 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)CC(C)C ZINC000515232351 1006348358 /nfs/dbraw/zinc/34/83/58/1006348358.db2.gz AONRWJAZNXGYRE-FQEVSTJZSA-N 2 0 403.615 3.707 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)[NH+]2CCCCC2)cc1 ZINC000515290889 1006379680 /nfs/dbraw/zinc/37/96/80/1006379680.db2.gz KFIDBKVABVDVAF-QHCPKHFHSA-N 2 0 416.610 3.643 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292635 1006381120 /nfs/dbraw/zinc/38/11/20/1006381120.db2.gz MULKIAPBVYUGGJ-NFBKMPQASA-N 2 0 416.610 3.786 20 0 HHADRP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000515358380 1006417304 /nfs/dbraw/zinc/41/73/04/1006417304.db2.gz ZNZFCTSOQNTGRU-UHFFFAOYSA-N 2 0 404.558 3.936 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000531850663 1006470713 /nfs/dbraw/zinc/47/07/13/1006470713.db2.gz CNRJFHLESDOUHX-FQEVSTJZSA-N 2 0 410.581 3.972 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940062 1006533166 /nfs/dbraw/zinc/53/31/66/1006533166.db2.gz VBVODXQEUACHHX-NZQKXSOJSA-N 2 0 409.574 3.877 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939638 1006533801 /nfs/dbraw/zinc/53/38/01/1006533801.db2.gz FOIXPWXYEKTAGW-YADARESESA-N 2 0 406.574 3.601 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1C(F)(F)F ZINC000531960469 1006547470 /nfs/dbraw/zinc/54/74/70/1006547470.db2.gz OTLNTVGEGQMHCM-KRWDZBQOSA-N 2 0 407.484 3.748 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000532107250 1006641828 /nfs/dbraw/zinc/64/18/28/1006641828.db2.gz MIPNSKUOEMYZCV-UHFFFAOYSA-N 2 0 422.495 3.843 20 0 HHADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1OCc1cccs1 ZINC000532120051 1006651953 /nfs/dbraw/zinc/65/19/53/1006651953.db2.gz PFNRUPDDMVBBBS-UHFFFAOYSA-N 2 0 404.576 3.661 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515804929 1006685308 /nfs/dbraw/zinc/68/53/08/1006685308.db2.gz ZLUFVOCXJUJRGT-HSZRJFAPSA-N 2 0 412.553 3.736 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000515832559 1006707415 /nfs/dbraw/zinc/70/74/15/1006707415.db2.gz ABZRUFULQCZOBV-QHCPKHFHSA-N 2 0 409.574 3.802 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188569 1006707734 /nfs/dbraw/zinc/70/77/34/1006707734.db2.gz QRUNKYWQHHKFBO-NQIIRXRSSA-N 2 0 424.618 3.585 20 0 HHADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837742 1006710091 /nfs/dbraw/zinc/71/00/91/1006710091.db2.gz JTCHNCCQRDPKBW-NJDAHSKKSA-N 2 0 400.611 3.696 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000532192411 1006710488 /nfs/dbraw/zinc/71/04/88/1006710488.db2.gz SRPLYIRGXRFZRL-HXUWFJFHSA-N 2 0 409.574 3.836 20 0 HHADRP COc1ccc(OC)c(CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000538464686 1006733729 /nfs/dbraw/zinc/73/37/29/1006733729.db2.gz GPRORMATCVHVJI-UHFFFAOYSA-N 2 0 411.590 3.957 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000532321592 1006793024 /nfs/dbraw/zinc/79/30/24/1006793024.db2.gz BMYLBZNNUYTWSR-HXUWFJFHSA-N 2 0 413.997 3.636 20 0 HHADRP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556704 1006818531 /nfs/dbraw/zinc/81/85/31/1006818531.db2.gz FKKFFWSMZVTNLE-HRAATJIYSA-N 2 0 408.550 3.679 20 0 HHADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000538591025 1006859017 /nfs/dbraw/zinc/85/90/17/1006859017.db2.gz XCJIZCRUXLHKRO-CPJSRVTESA-N 2 0 416.569 3.688 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CC(=O)N3CCCCCC3)CC2)c1 ZINC000532455156 1006897372 /nfs/dbraw/zinc/89/73/72/1006897372.db2.gz VNISOTACFLVJKK-QHCPKHFHSA-N 2 0 414.638 3.668 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000532517503 1006954560 /nfs/dbraw/zinc/95/45/60/1006954560.db2.gz GSPSCFQTEKTRFR-STWLZBDKSA-N 2 0 411.590 3.567 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920705 1006956336 /nfs/dbraw/zinc/95/63/36/1006956336.db2.gz TWABXEMINPXGDU-LOSJGSFVSA-N 2 0 423.601 3.530 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958837 1007003821 /nfs/dbraw/zinc/00/38/21/1007003821.db2.gz ISTJHCKZZIMTJH-HLIPFELVSA-N 2 0 410.965 3.646 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987187 1007045650 /nfs/dbraw/zinc/04/56/50/1007045650.db2.gz ZQMPGYQLJCBRPV-XMMPIXPASA-N 2 0 420.601 3.987 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000532663594 1007080385 /nfs/dbraw/zinc/08/03/85/1007080385.db2.gz PBCSEUKGERSEBY-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP COc1ccc(COCCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000538853468 1007127377 /nfs/dbraw/zinc/12/73/77/1007127377.db2.gz LVPUFKQKFCSBMW-UHFFFAOYSA-N 2 0 417.981 3.797 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000532730619 1007139765 /nfs/dbraw/zinc/13/97/65/1007139765.db2.gz AUYZQTDDNKXRGA-UHFFFAOYSA-N 2 0 421.633 3.578 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000532765144 1007170501 /nfs/dbraw/zinc/17/05/01/1007170501.db2.gz YQOINFIWAWHRQS-SFTDATJTSA-N 2 0 405.542 3.835 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949410 1007236718 /nfs/dbraw/zinc/23/67/18/1007236718.db2.gz NRTZKEJCWCAXTD-GOSISDBHSA-N 2 0 403.636 3.855 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532949926 1007319440 /nfs/dbraw/zinc/31/94/40/1007319440.db2.gz DISVZSVUIFDYFW-INIZCTEOSA-N 2 0 415.651 3.993 20 0 HHADRP c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967217 1007334092 /nfs/dbraw/zinc/33/40/92/1007334092.db2.gz NOCUCIYINSNBQT-CLJLJLNGSA-N 2 0 410.650 3.522 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000539042717 1007339798 /nfs/dbraw/zinc/33/97/98/1007339798.db2.gz GYMXPAPWRQSUPM-ZJOUEHCJSA-N 2 0 415.603 3.546 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539060408 1007353773 /nfs/dbraw/zinc/35/37/73/1007353773.db2.gz SFGQSVOVFMBBGV-NMNUPHIUSA-N 2 0 416.610 3.979 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392786 /nfs/dbraw/zinc/39/27/86/1007392786.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 2 0 412.603 3.705 20 0 HHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539218036 1007508830 /nfs/dbraw/zinc/50/88/30/1007508830.db2.gz QEPFMKPRBWESNX-KRWDZBQOSA-N 2 0 404.002 3.828 20 0 HHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000539266262 1007561551 /nfs/dbraw/zinc/56/15/51/1007561551.db2.gz YWLBEGISFMXPRO-JTAQYXEDSA-N 2 0 409.574 3.904 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509470 1007564861 /nfs/dbraw/zinc/56/48/61/1007564861.db2.gz VRKSAMRLYRYRFF-UGSOOPFHSA-N 2 0 400.792 3.705 20 0 HHADRP CC(C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(F)c1 ZINC000539316026 1007614997 /nfs/dbraw/zinc/61/49/97/1007614997.db2.gz CACIMLNTCVFBEY-UHFFFAOYSA-N 2 0 401.551 3.838 20 0 HHADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535676288 1007701808 /nfs/dbraw/zinc/70/18/08/1007701808.db2.gz PMGDSWVDUNDDDZ-OAQYLSRUSA-N 2 0 423.576 3.861 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535677587 1007703618 /nfs/dbraw/zinc/70/36/18/1007703618.db2.gz VLBQKLHKDFLQKA-LDNXJKPSSA-N 2 0 422.976 3.786 20 0 HHADRP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535681255 1007710203 /nfs/dbraw/zinc/71/02/03/1007710203.db2.gz ONTKCFUGQMEZKD-QHCPKHFHSA-N 2 0 424.585 3.813 20 0 HHADRP COc1cc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(OC)cc1Cl ZINC000533408319 1007717076 /nfs/dbraw/zinc/71/70/76/1007717076.db2.gz XVXNYEDCOKUEQU-UHFFFAOYSA-N 2 0 411.974 3.738 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724626 /nfs/dbraw/zinc/72/46/26/1007724626.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 2 0 422.658 3.754 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+](C)C)cc1 ZINC000535704726 1007743819 /nfs/dbraw/zinc/74/38/19/1007743819.db2.gz KDXYHCHEJAJJCH-QFIPXVFZSA-N 2 0 400.542 3.552 20 0 HHADRP COc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000517539039 1007755022 /nfs/dbraw/zinc/75/50/22/1007755022.db2.gz YJKHYTWKMQKYBH-HSZRJFAPSA-N 2 0 411.590 3.951 20 0 HHADRP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)oc21 ZINC000539496378 1007807787 /nfs/dbraw/zinc/80/77/87/1007807787.db2.gz HUTCUOPAZANEGF-UWJYYQICSA-N 2 0 421.541 3.990 20 0 HHADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(Br)c1 ZINC000539498277 1007810238 /nfs/dbraw/zinc/81/02/38/1007810238.db2.gz BXDJKSWKNYDXTF-IBGZPJMESA-N 2 0 421.358 3.976 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)CC1 ZINC000533517669 1007837485 /nfs/dbraw/zinc/83/74/85/1007837485.db2.gz QHNMJHVWCJFITL-XMMPIXPASA-N 2 0 408.590 3.720 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000535937351 1007966584 /nfs/dbraw/zinc/96/65/84/1007966584.db2.gz NHTXERMVWYFAIG-BKULYWANSA-N 2 0 412.622 3.660 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945933 1007978731 /nfs/dbraw/zinc/97/87/31/1007978731.db2.gz YRDIOCBJSANDHT-LEWJYISDSA-N 2 0 418.651 3.894 20 0 HHADRP NC(=O)[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000517931346 1008061979 /nfs/dbraw/zinc/06/19/79/1008061979.db2.gz CBFVDDFAXTUEFC-GOSISDBHSA-N 2 0 422.392 3.539 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536095649 1008118220 /nfs/dbraw/zinc/11/82/20/1008118220.db2.gz MWWPXYXJIVUHCX-RPWUZVMVSA-N 2 0 406.574 3.704 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824222 1008119150 /nfs/dbraw/zinc/11/91/50/1008119150.db2.gz DRGODZXMZJICOI-RDPSFJRHSA-N 2 0 423.601 3.829 20 0 HHADRP Cc1nc(COc2ccc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123628 /nfs/dbraw/zinc/12/36/28/1008123628.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 2 0 406.530 3.911 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000518096279 1008156896 /nfs/dbraw/zinc/15/68/96/1008156896.db2.gz VFSNKGSTMOLNAP-QFIPXVFZSA-N 2 0 416.610 3.567 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cnn(-c3ccccc3)c2)CC1 ZINC000539953212 1008203480 /nfs/dbraw/zinc/20/34/80/1008203480.db2.gz QTTZPWMYDOVWLT-UHFFFAOYSA-N 2 0 409.965 3.610 20 0 HHADRP Cc1sc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)nc1-c1ccc(Cl)cc1 ZINC000518221628 1008210794 /nfs/dbraw/zinc/21/07/94/1008210794.db2.gz IMCQVRCCPFYNAB-AWEZNQCLSA-N 2 0 406.983 3.587 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000539975614 1008216639 /nfs/dbraw/zinc/21/66/39/1008216639.db2.gz AAEIUUOWVFCRHT-DNQXCXABSA-N 2 0 421.589 3.775 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539977848 1008217763 /nfs/dbraw/zinc/21/77/63/1008217763.db2.gz VMLKCMSZTNDNPN-HSZRJFAPSA-N 2 0 415.626 3.840 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000518265802 1008233349 /nfs/dbraw/zinc/23/33/49/1008233349.db2.gz DXUSFDHYRBSOMD-UHFFFAOYSA-N 2 0 417.601 3.716 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518316161 1008257544 /nfs/dbraw/zinc/25/75/44/1008257544.db2.gz BGHBRBDUBKSEEK-NRFANRHFSA-N 2 0 407.002 3.868 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402888 1008289735 /nfs/dbraw/zinc/28/97/35/1008289735.db2.gz SDCMFQUBXJBBGR-BAGYTPMASA-N 2 0 410.562 3.941 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000518402890 1008290489 /nfs/dbraw/zinc/29/04/89/1008290489.db2.gz SDCMFQUBXJBBGR-FCEUIQTBSA-N 2 0 410.562 3.941 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451163 1008312940 /nfs/dbraw/zinc/31/29/40/1008312940.db2.gz OOVIZUKMBTZEOX-QHAWAJNXSA-N 2 0 400.611 3.696 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@H](C)C1 ZINC000540170160 1008320802 /nfs/dbraw/zinc/32/08/02/1008320802.db2.gz WKHRVFFDLVOOHE-YKSBVNFPSA-N 2 0 409.574 3.875 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000540171237 1008321094 /nfs/dbraw/zinc/32/10/94/1008321094.db2.gz PAOBVZXSYRNJME-JOCHJYFZSA-N 2 0 423.557 3.524 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000540187193 1008327604 /nfs/dbraw/zinc/32/76/04/1008327604.db2.gz VENOIAZNMUURIQ-UGKGYDQZSA-N 2 0 402.579 3.804 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000518521062 1008336515 /nfs/dbraw/zinc/33/65/15/1008336515.db2.gz DROMXBGFQGBYRD-UHFFFAOYSA-N 2 0 407.002 3.727 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301482 1008372613 /nfs/dbraw/zinc/37/26/13/1008372613.db2.gz ZTIGUNRSIQFLEE-ISKFKSNPSA-N 2 0 407.558 3.633 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000540394802 1008414962 /nfs/dbraw/zinc/41/49/62/1008414962.db2.gz KDLRKGUDAHFEOJ-WHLCRQNOSA-N 2 0 400.588 3.792 20 0 HHADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000518761479 1008415848 /nfs/dbraw/zinc/41/58/48/1008415848.db2.gz ZSTGKHIXGMQKBF-UHFFFAOYSA-N 2 0 421.614 3.821 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000540410315 1008421721 /nfs/dbraw/zinc/42/17/21/1008421721.db2.gz XGVHPXBIWOGBEQ-SJORKVTESA-N 2 0 418.582 3.557 20 0 HHADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540494135 1008454310 /nfs/dbraw/zinc/45/43/10/1008454310.db2.gz QAFLKYLYLNLBDV-PZJWPPBQSA-N 2 0 407.558 3.852 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000549080751 1008644596 /nfs/dbraw/zinc/64/45/96/1008644596.db2.gz FGOIMASUDZMWLB-VQTJNVASSA-N 2 0 406.933 3.684 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000549080752 1008644713 /nfs/dbraw/zinc/64/47/13/1008644713.db2.gz FGOIMASUDZMWLB-WOJBJXKFSA-N 2 0 406.933 3.684 20 0 HHADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000549202584 1008774674 /nfs/dbraw/zinc/77/46/74/1008774674.db2.gz RZTRFWPVMWINDG-SFTDATJTSA-N 2 0 423.601 3.840 20 0 HHADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549202869 1008774883 /nfs/dbraw/zinc/77/48/83/1008774883.db2.gz UJLRONSWXVAVCE-LOSJGSFVSA-N 2 0 420.601 3.638 20 0 HHADRP C[N@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231554 1008801979 /nfs/dbraw/zinc/80/19/79/1008801979.db2.gz JGSUFJNDAADWSM-NGMPGZOMSA-N 2 0 419.013 3.895 20 0 HHADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000543236292 1008804903 /nfs/dbraw/zinc/80/49/03/1008804903.db2.gz GDFMQMWTKAYYOL-DHIUTWEWSA-N 2 0 401.518 3.633 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000519656430 1008943960 /nfs/dbraw/zinc/94/39/60/1008943960.db2.gz WPWGWQRSYULWKP-FQEVSTJZSA-N 2 0 400.954 3.679 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000545913007 1008993301 /nfs/dbraw/zinc/99/33/01/1008993301.db2.gz LUCKXPUWBVQODW-HXUWFJFHSA-N 2 0 401.595 3.568 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC(=O)Nc4ccccc43)CC2)c1 ZINC000543407722 1009001742 /nfs/dbraw/zinc/00/17/42/1009001742.db2.gz ZSADMKUMJCAGQA-HSZRJFAPSA-N 2 0 406.574 3.960 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453469 1009043848 /nfs/dbraw/zinc/04/38/48/1009043848.db2.gz CKSUFZBWSHCMFO-NHCUHLMSSA-N 2 0 400.954 3.516 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520095434 1009253516 /nfs/dbraw/zinc/25/35/16/1009253516.db2.gz QALQYZBMKOFPIK-OAQYLSRUSA-N 2 0 424.564 3.737 20 0 HHADRP CN(C)C(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549625818 1009253621 /nfs/dbraw/zinc/25/36/21/1009253621.db2.gz JLWNUIADBDYLHP-DRLVYXDUSA-N 2 0 419.013 3.990 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000543774361 1009342040 /nfs/dbraw/zinc/34/20/40/1009342040.db2.gz NXAOCRCVUWEAMG-QFIPXVFZSA-N 2 0 402.510 3.786 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC(F)(F)F)c2)C1 ZINC000520227036 1009352390 /nfs/dbraw/zinc/35/23/90/1009352390.db2.gz AGYLKHRHOZJSFC-LJQANCHMSA-N 2 0 421.463 3.572 20 0 HHADRP CC[NH+]1CCN(c2ccc(-c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)cn2)CC1 ZINC000546399578 1009412234 /nfs/dbraw/zinc/41/22/34/1009412234.db2.gz HBXKBOVUDFOWFK-UHFFFAOYSA-N 2 0 418.545 3.536 20 0 HHADRP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000549839859 1009453097 /nfs/dbraw/zinc/45/30/97/1009453097.db2.gz ALWSAEWCOVFYQA-JIMJEQGWSA-N 2 0 408.586 3.880 20 0 HHADRP c1cnn(-c2cccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868370 1009488103 /nfs/dbraw/zinc/48/81/03/1009488103.db2.gz VIHISCGKORDEIB-XMMPIXPASA-N 2 0 416.569 3.891 20 0 HHADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000543944956 1009539197 /nfs/dbraw/zinc/53/91/97/1009539197.db2.gz WPBVQOCNWOXTEM-QQKQFIJSSA-N 2 0 401.639 3.842 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000543993216 1009592846 /nfs/dbraw/zinc/59/28/46/1009592846.db2.gz WGSBURPUYUVNPJ-IAOVAPTHSA-N 2 0 409.596 3.721 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000543998234 1009599513 /nfs/dbraw/zinc/59/95/13/1009599513.db2.gz PDUWOMXHFMVCAC-MSOLQXFVSA-N 2 0 400.567 3.606 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040040 1009642051 /nfs/dbraw/zinc/64/20/51/1009642051.db2.gz TXYXZIUXUQOLQY-RTBURBONSA-N 2 0 414.594 3.710 20 0 HHADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041172 1009642760 /nfs/dbraw/zinc/64/27/60/1009642760.db2.gz ABTQMTCBPTUKFF-STZQEDGTSA-N 2 0 414.594 3.551 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000550228289 1009790293 /nfs/dbraw/zinc/79/02/93/1009790293.db2.gz QNKBNLWVZNSPJH-UHFFFAOYSA-N 2 0 406.496 3.963 20 0 HHADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000520733353 1009802911 /nfs/dbraw/zinc/80/29/11/1009802911.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 2 0 409.496 3.574 20 0 HHADRP Brc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(N2CCOCC2)c1 ZINC000550263000 1009814489 /nfs/dbraw/zinc/81/44/89/1009814489.db2.gz RMNZQXRNONNZHW-UHFFFAOYSA-N 2 0 410.400 3.641 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000520830227 1009889881 /nfs/dbraw/zinc/88/98/81/1009889881.db2.gz VGHSSWLPWGCLGK-NRFANRHFSA-N 2 0 413.566 3.626 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000520952016 1010002055 /nfs/dbraw/zinc/00/20/55/1010002055.db2.gz BNWMEWKBATYFQD-VWLOTQADSA-N 2 0 410.581 3.894 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000521070045 1010087393 /nfs/dbraw/zinc/08/73/93/1010087393.db2.gz CNIMDXQDUFNBOW-LJQANCHMSA-N 2 0 409.018 3.925 20 0 HHADRP COc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000544635739 1010259068 /nfs/dbraw/zinc/25/90/68/1010259068.db2.gz CLSHCQCWWUTTBA-XXBNENTESA-N 2 0 416.610 3.594 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000544828681 1010420009 /nfs/dbraw/zinc/42/00/09/1010420009.db2.gz XNSRCHOPMIRHAP-UHFFFAOYSA-N 2 0 410.400 3.682 20 0 HHADRP COc1cc([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258308 1010474720 /nfs/dbraw/zinc/47/47/20/1010474720.db2.gz FQDIKXGCCJSQJM-AZUAARDMSA-N 2 0 413.537 3.809 20 0 HHADRP O=C(C[NH2+][C@@H](CCO)C1CCCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544898833 1010474732 /nfs/dbraw/zinc/47/47/32/1010474732.db2.gz WVTMCRWFXQWFCP-VXKWHMMOSA-N 2 0 422.013 3.514 20 0 HHADRP Cc1nc(N2CCC[NH+](C(C)(C)C)CC2)c(N2CCC[N@@H+](C(C)(C)C)CC2)nc1C ZINC000547957017 1010483105 /nfs/dbraw/zinc/48/31/05/1010483105.db2.gz OGSUMTBPHCTULY-UHFFFAOYSA-N 2 0 416.658 3.715 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000521680218 1010545740 /nfs/dbraw/zinc/54/57/40/1010545740.db2.gz WPLJPTDXZPTOCG-UHFFFAOYSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155511 1010547702 /nfs/dbraw/zinc/54/77/02/1010547702.db2.gz XHBFWGWEKMYYMM-MZKRTTBSSA-N 2 0 421.585 3.905 20 0 HHADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000521685953 1010550113 /nfs/dbraw/zinc/55/01/13/1010550113.db2.gz ODJIVZSDECUGHH-KRWDZBQOSA-N 2 0 414.516 3.511 20 0 HHADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000521687068 1010551187 /nfs/dbraw/zinc/55/11/87/1010551187.db2.gz IHJOGBOBTBMWPF-KRWDZBQOSA-N 2 0 414.516 3.653 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000521687390 1010551885 /nfs/dbraw/zinc/55/18/85/1010551885.db2.gz PIXZXEPFBAJRMQ-SFHVURJKSA-N 2 0 410.553 3.693 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000548175679 1010552720 /nfs/dbraw/zinc/55/27/20/1010552720.db2.gz GHETUDGFPLWLDC-DEOSSOPVSA-N 2 0 406.574 3.633 20 0 HHADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000521700172 1010560312 /nfs/dbraw/zinc/56/03/12/1010560312.db2.gz VFTNPZNJJUZMCC-OALUTQOASA-N 2 0 404.624 3.662 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000521815858 1010637516 /nfs/dbraw/zinc/63/75/16/1010637516.db2.gz CBHTZHDYPPWIQC-UHFFFAOYSA-N 2 0 406.368 3.826 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)CC3 ZINC000545189483 1010677921 /nfs/dbraw/zinc/67/79/21/1010677921.db2.gz ONHFRTNHAVPRQQ-NRFANRHFSA-N 2 0 418.585 3.571 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521878903 1010682237 /nfs/dbraw/zinc/68/22/37/1010682237.db2.gz OGNWENWYDFPBLI-NRFANRHFSA-N 2 0 407.002 3.867 20 0 HHADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551596165 1010685424 /nfs/dbraw/zinc/68/54/24/1010685424.db2.gz BQWAYVUCFRZEMA-UHFFFAOYSA-N 2 0 405.586 3.642 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000522323795 1010930226 /nfs/dbraw/zinc/93/02/26/1010930226.db2.gz CPQCBBXNEBWNIQ-TXTKFYIRSA-N 2 0 400.611 3.694 20 0 HHADRP CCCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc21 ZINC000522727249 1011180643 /nfs/dbraw/zinc/18/06/43/1011180643.db2.gz ZEGSQORWYHNBBK-DEOSSOPVSA-N 2 0 421.589 3.703 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830471 1011266775 /nfs/dbraw/zinc/26/67/75/1011266775.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 2 0 420.601 3.984 20 0 HHADRP Cc1c(Cl)cc(F)c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000536423830 1011641824 /nfs/dbraw/zinc/64/18/24/1011641824.db2.gz HHJOKMILIGXWJA-UHFFFAOYSA-N 2 0 423.895 3.655 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458797 1011678523 /nfs/dbraw/zinc/67/85/23/1011678523.db2.gz HTPRFZZXPQMCKR-MDYRTPRTSA-N 2 0 410.965 3.503 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460382 1011681328 /nfs/dbraw/zinc/68/13/28/1011681328.db2.gz UKCABBKABKXALC-GMBSWORKSA-N 2 0 412.981 3.747 20 0 HHADRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc2c(c1)OCO2 ZINC000536485988 1011696814 /nfs/dbraw/zinc/69/68/14/1011696814.db2.gz NEIRXZBXJYPGKP-UHFFFAOYSA-N 2 0 421.541 3.732 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000536593491 1011756472 /nfs/dbraw/zinc/75/64/72/1011756472.db2.gz MMUNKSREBYGZBS-HSZRJFAPSA-N 2 0 409.578 3.632 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156114 1011817681 /nfs/dbraw/zinc/81/76/81/1011817681.db2.gz SPQVEZRXCUHUFV-QHCPKHFHSA-N 2 0 408.030 3.941 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000536674932 1011835162 /nfs/dbraw/zinc/83/51/62/1011835162.db2.gz IQBVLDFMAJGMTN-UHFFFAOYSA-N 2 0 404.986 3.744 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000541254782 1011937268 /nfs/dbraw/zinc/93/72/68/1011937268.db2.gz IKNCKTMSXZPAPB-AWEZNQCLSA-N 2 0 421.607 3.865 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000551815846 1011972580 /nfs/dbraw/zinc/97/25/80/1011972580.db2.gz DBVRCDXNGVCNIM-RLWLMLJZSA-N 2 0 423.601 3.711 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000523482678 1011995649 /nfs/dbraw/zinc/99/56/49/1011995649.db2.gz KJEXHFVXTMRYNS-HSZRJFAPSA-N 2 0 400.611 3.599 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000523521606 1012047159 /nfs/dbraw/zinc/04/71/59/1012047159.db2.gz UFWLEJWMICTSJD-XMMPIXPASA-N 2 0 424.589 3.572 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032745 1012057105 /nfs/dbraw/zinc/05/71/05/1012057105.db2.gz MOTBJKKJDGWRNU-UODIDJSMSA-N 3 0 412.666 3.685 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552032744 1012057888 /nfs/dbraw/zinc/05/78/88/1012057888.db2.gz MOTBJKKJDGWRNU-TWJOJJKGSA-N 3 0 412.666 3.685 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000536828784 1012058455 /nfs/dbraw/zinc/05/84/55/1012058455.db2.gz WLAZOUJITFZLMA-GOSISDBHSA-N 2 0 414.981 3.978 20 0 HHADRP COc1ccccc1N1CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000552061757 1012080119 /nfs/dbraw/zinc/08/01/19/1012080119.db2.gz YUBSHRQSMUWIPI-HRTMPFAESA-N 2 0 407.558 3.833 20 0 HHADRP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc21 ZINC000552062816 1012081272 /nfs/dbraw/zinc/08/12/72/1012081272.db2.gz HGDOXANROSYWSO-WXFUMESZSA-N 2 0 424.610 3.797 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000541372497 1012089356 /nfs/dbraw/zinc/08/93/56/1012089356.db2.gz ADWXXUOMZIEJQS-GOSISDBHSA-N 2 0 412.335 3.707 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000536857564 1012091066 /nfs/dbraw/zinc/09/10/66/1012091066.db2.gz KSYGGHKWRSAOMS-QGZVFWFLSA-N 2 0 417.500 3.964 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Br ZINC000536865276 1012101859 /nfs/dbraw/zinc/10/18/59/1012101859.db2.gz VDLOHBPEHMWKBV-OAHLLOKOSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000536874548 1012115321 /nfs/dbraw/zinc/11/53/21/1012115321.db2.gz DLGLHBOPPCPANU-FQEVSTJZSA-N 2 0 406.574 3.824 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598682 1012161015 /nfs/dbraw/zinc/16/10/15/1012161015.db2.gz XEHIRUWEDPVJDX-OALUTQOASA-N 2 0 406.640 3.770 20 0 HHADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611943 1012183365 /nfs/dbraw/zinc/18/33/65/1012183365.db2.gz ISJGOJZTQCEHDD-XMMPIXPASA-N 2 0 421.585 3.614 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962972 1012255755 /nfs/dbraw/zinc/25/57/55/1012255755.db2.gz LSVHUKYGOCRKRG-QZTJIDSGSA-N 2 0 401.576 3.559 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000541535212 1012318215 /nfs/dbraw/zinc/31/82/15/1012318215.db2.gz SRTSVDOIZSSLNE-UHFFFAOYSA-N 2 0 408.481 3.501 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1 ZINC000537022832 1012329405 /nfs/dbraw/zinc/32/94/05/1012329405.db2.gz ZZXNTSXOTPBANX-PMACEKPBSA-N 2 0 409.574 3.944 20 0 HHADRP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552332470 1012341041 /nfs/dbraw/zinc/34/10/41/1012341041.db2.gz SYUMKGLYQHJMPI-MISYRCLQSA-N 2 0 403.368 3.536 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000523749453 1012373486 /nfs/dbraw/zinc/37/34/86/1012373486.db2.gz QEKUWCOMQUFSED-REWPJTCUSA-N 2 0 424.589 3.710 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000552365594 1012374893 /nfs/dbraw/zinc/37/48/93/1012374893.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 2 0 417.544 3.619 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000523773257 1012413198 /nfs/dbraw/zinc/41/31/98/1012413198.db2.gz NPYGWZKCDMOPLP-FGZHOGPDSA-N 2 0 422.658 3.611 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404014 1012416723 /nfs/dbraw/zinc/41/67/23/1012416723.db2.gz QJINHKZPIJWZHU-OAQYLSRUSA-N 2 0 407.549 3.724 20 0 HHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541662966 1012491818 /nfs/dbraw/zinc/49/18/18/1012491818.db2.gz STFJYIHTQUGPDH-UHFFFAOYSA-N 2 0 415.603 3.537 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000523858617 1012554826 /nfs/dbraw/zinc/55/48/26/1012554826.db2.gz ULZZOGMNXBFASO-HNNXBMFYSA-N 2 0 422.545 3.576 20 0 HHADRP COc1ccccc1[C@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000537168061 1012570411 /nfs/dbraw/zinc/57/04/11/1012570411.db2.gz UAILAMPFDIABEF-VXKWHMMOSA-N 2 0 409.574 3.876 20 0 HHADRP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000537168060 1012571318 /nfs/dbraw/zinc/57/13/18/1012571318.db2.gz UAILAMPFDIABEF-FGZHOGPDSA-N 2 0 409.574 3.876 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O2 ZINC000537190938 1012604126 /nfs/dbraw/zinc/60/41/26/1012604126.db2.gz HYQACOQNJHRPDW-OAQYLSRUSA-N 2 0 411.521 3.523 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1O2 ZINC000537192002 1012605208 /nfs/dbraw/zinc/60/52/08/1012605208.db2.gz KNSWONCROJFGIH-HXUWFJFHSA-N 2 0 413.949 3.648 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541759277 1012620868 /nfs/dbraw/zinc/62/08/68/1012620868.db2.gz GXIFOOLYYNCFHU-UHFFFAOYSA-N 2 0 416.013 3.684 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)CC1 ZINC000541761019 1012623205 /nfs/dbraw/zinc/62/32/05/1012623205.db2.gz POBWZISIDGQMKX-UHFFFAOYSA-N 2 0 405.030 3.790 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cc1)C1CC1 ZINC000552662062 1012660239 /nfs/dbraw/zinc/66/02/39/1012660239.db2.gz HQWRKQWHORYJEI-XUZZJYLKSA-N 2 0 423.605 3.560 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000523939331 1012672799 /nfs/dbraw/zinc/67/27/99/1012672799.db2.gz JASJTFQCUNSPOP-WOJBJXKFSA-N 2 0 414.550 3.844 20 0 HHADRP C[NH+]1CCC[C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271837 1012725176 /nfs/dbraw/zinc/72/51/76/1012725176.db2.gz CACOCYSTFFGXSX-ICSRJNTNSA-N 2 0 424.511 3.649 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000541889033 1012756115 /nfs/dbraw/zinc/75/61/15/1012756115.db2.gz KTHFGKJKZJJUGZ-DDOAZUFRSA-N 2 0 407.602 3.776 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919151 1012779735 /nfs/dbraw/zinc/77/97/35/1012779735.db2.gz UKXIEJQYSJCWLI-HNAYVOBHSA-N 2 0 406.473 3.714 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000552775658 1012779849 /nfs/dbraw/zinc/77/98/49/1012779849.db2.gz NYYPQMQCICICMO-XMMPIXPASA-N 2 0 423.605 3.502 20 0 HHADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541935678 1012796720 /nfs/dbraw/zinc/79/67/20/1012796720.db2.gz HHMWIAJGFOHHKX-GOSISDBHSA-N 2 0 413.468 3.745 20 0 HHADRP CCc1ccc([C@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[NH+](C)C)cc1 ZINC000552923951 1012924120 /nfs/dbraw/zinc/92/41/20/1012924120.db2.gz SZZVPGZVFAGEOM-VWLOTQADSA-N 2 0 422.617 3.812 20 0 HHADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421522 1071903691 /nfs/dbraw/zinc/90/36/91/1071903691.db2.gz LYJLUPDZJHCQLZ-RPWUZVMVSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001168271194 1072022012 /nfs/dbraw/zinc/02/20/12/1072022012.db2.gz GMDHWWUUQGIMDC-BFLUCZKCSA-N 2 0 410.602 3.623 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 ZINC001168290236 1072447039 /nfs/dbraw/zinc/44/70/39/1072447039.db2.gz GIBTZWBCTXMCJN-SOAGJPPSSA-N 2 0 409.615 3.645 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2c2cccnc2)CC1 ZINC001168303720 1072468524 /nfs/dbraw/zinc/46/85/24/1072468524.db2.gz ANSLHKYSZXAWPS-GKYDQMIMSA-N 2 0 402.583 3.842 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC3(C=C(C(=O)NCC4CC4)c4ccccc43)CC2)CC1 ZINC001168323143 1072502829 /nfs/dbraw/zinc/50/28/29/1072502829.db2.gz RUIIEPUDYQPMGH-UHFFFAOYSA-N 2 0 407.602 3.816 20 0 HHADRP CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870376 1072858021 /nfs/dbraw/zinc/85/80/21/1072858021.db2.gz RUADQYDYWCAYCI-KROBSHITSA-N 2 0 421.585 3.763 20 0 HHADRP C[N@H+](CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554906390 1072942234 /nfs/dbraw/zinc/94/22/34/1072942234.db2.gz MICOSHKKNMBORS-DTHFOOOUSA-N 2 0 404.986 3.647 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000554977428 1073017263 /nfs/dbraw/zinc/01/72/63/1073017263.db2.gz QXJCHPDPXQXLFL-UHFFFAOYSA-N 2 0 408.306 3.585 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C1CC1 ZINC000588654646 1073103038 /nfs/dbraw/zinc/10/30/38/1073103038.db2.gz AUOIKURSQDBRLW-WOJBJXKFSA-N 2 0 413.606 3.632 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000572083600 1073127119 /nfs/dbraw/zinc/12/71/19/1073127119.db2.gz OWPBFESTPNCHOI-QHCPKHFHSA-N 2 0 401.982 3.955 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711367 1073156116 /nfs/dbraw/zinc/15/61/16/1073156116.db2.gz ONLRONILFDSQQU-CALCHBBNSA-N 2 0 400.485 3.905 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147104 1073589814 /nfs/dbraw/zinc/58/98/14/1073589814.db2.gz IDOSFGLLVUXYAA-YADHBBJMSA-N 2 0 410.562 3.943 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000590352999 1073756466 /nfs/dbraw/zinc/75/64/66/1073756466.db2.gz CDEGLZCQTXBASG-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591548497 1074383847 /nfs/dbraw/zinc/38/38/47/1074383847.db2.gz MFGRCKKHYAPBJO-JOCHJYFZSA-N 2 0 419.013 3.964 20 0 HHADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591648965 1074476657 /nfs/dbraw/zinc/47/66/57/1074476657.db2.gz NXDFLFWSJGLSCH-HXUWFJFHSA-N 2 0 401.595 3.885 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000591717221 1074480534 /nfs/dbraw/zinc/48/05/34/1074480534.db2.gz WIRROAMWPOJZJI-UHFFFAOYSA-N 2 0 406.368 3.826 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000591717228 1074480577 /nfs/dbraw/zinc/48/05/77/1074480577.db2.gz YHSZRSPELHDTJZ-UHFFFAOYSA-N 2 0 403.574 3.657 20 0 HHADRP CCC[NH+]1CCC(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000591708103 1074499085 /nfs/dbraw/zinc/49/90/85/1074499085.db2.gz LTPSECDZEKJNMR-UHFFFAOYSA-N 2 0 414.619 3.858 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000593501324 1075205328 /nfs/dbraw/zinc/20/53/28/1075205328.db2.gz RDNCKJDQWATFIC-NRFANRHFSA-N 2 0 402.514 3.581 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502574 1075205571 /nfs/dbraw/zinc/20/55/71/1075205571.db2.gz UJMDQAYRNKSMSV-DENIHFKCSA-N 2 0 410.562 3.974 20 0 HHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164429391 718948489 /nfs/dbraw/zinc/94/84/89/718948489.db2.gz OQZOYKFHDKDUEI-UXHICEINSA-N 2 0 416.903 3.732 20 0 HHADRP Clc1ncc2c(c1N1CCC[C@H]3[NH2+]C[C@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164447499 718998748 /nfs/dbraw/zinc/99/87/48/718998748.db2.gz CADODIVOIYTYHU-NHCUHLMSSA-N 2 0 424.976 3.697 20 0 HHADRP Clc1ncc2c(c1N1CCC[C@H]3[NH2+]C[C@@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164447507 718998749 /nfs/dbraw/zinc/99/87/49/718998749.db2.gz CADODIVOIYTYHU-RTWAWAEBSA-N 2 0 424.976 3.697 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819029 720195263 /nfs/dbraw/zinc/19/52/63/720195263.db2.gz VNHXYIDAFZOGEQ-VDKIKQQVSA-N 2 0 412.622 3.813 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164842273 720719917 /nfs/dbraw/zinc/71/99/17/720719917.db2.gz XGPHIVNEBAPRMF-QFIPXVFZSA-N 2 0 403.530 3.527 20 0 HHADRP CCOc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164756912 720888036 /nfs/dbraw/zinc/88/80/36/720888036.db2.gz SCPRYFUZFYMVPH-RDGATRHJSA-N 2 0 422.573 3.630 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235662 /nfs/dbraw/zinc/23/56/62/721235662.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 2 0 422.621 3.710 20 0 HHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)c2)CC1 ZINC001164796252 721507006 /nfs/dbraw/zinc/50/70/06/721507006.db2.gz QQCHXSWVQMMCRR-CYFREDJKSA-N 2 0 408.546 3.635 20 0 HHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)c2)CC1 ZINC001164796254 721507697 /nfs/dbraw/zinc/50/76/97/721507697.db2.gz QQCHXSWVQMMCRR-NTKDMRAZSA-N 2 0 408.546 3.635 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165023330 721797998 /nfs/dbraw/zinc/79/79/98/721797998.db2.gz JMVKOGLXRJVCGQ-KSEOMHKRSA-N 2 0 406.578 3.517 20 0 HHADRP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001165020638 721826404 /nfs/dbraw/zinc/82/64/04/721826404.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 2 0 405.590 3.808 20 0 HHADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301291011 970852353 /nfs/dbraw/zinc/85/23/53/970852353.db2.gz TWLYCFVDDDEHEJ-IBGZPJMESA-N 2 0 405.521 3.808 20 0 HHADRP CCN1CC[NH+]([C@H]2CCN(c3c(C)c(C)[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000301389235 970902105 /nfs/dbraw/zinc/90/21/05/970902105.db2.gz FLDLHULMBGWRLU-SFHVURJKSA-N 2 0 417.395 3.830 20 0 HHADRP Cc1ccc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2c1 ZINC000302171371 971194748 /nfs/dbraw/zinc/19/47/48/971194748.db2.gz UUPBFENUABCAEA-OAQYLSRUSA-N 2 0 401.558 3.977 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000542146887 1013082659 /nfs/dbraw/zinc/08/26/59/1013082659.db2.gz QWTZUYRMFNICPD-RWBZWWBESA-N 2 0 423.623 3.969 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011473 971453126 /nfs/dbraw/zinc/45/31/26/971453126.db2.gz OUWUOBACPOXMOY-ZRCGQRJVSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000303121027 971513205 /nfs/dbraw/zinc/51/32/05/971513205.db2.gz FSDSVIMGCASUOO-IAGOWNOFSA-N 2 0 400.485 3.949 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303166757 971538055 /nfs/dbraw/zinc/53/80/55/971538055.db2.gz FZYVTOHVIDGXCY-QHCPKHFHSA-N 2 0 400.611 3.936 20 0 HHADRP C[NH+]1CCCC12CCN(Cc1ccccc1CN1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000542268449 1013228282 /nfs/dbraw/zinc/22/82/82/1013228282.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 2 0 410.650 3.807 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678311 1013237302 /nfs/dbraw/zinc/23/73/02/1013237302.db2.gz UAGVFPRXQFLADM-FPOVZHCZSA-N 2 0 406.412 3.927 20 0 HHADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537714570 1013279284 /nfs/dbraw/zinc/27/92/84/1013279284.db2.gz DPSRZHLGKUXYCU-HSZRJFAPSA-N 2 0 401.595 3.693 20 0 HHADRP COCCC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000542356889 1013313890 /nfs/dbraw/zinc/31/38/90/1013313890.db2.gz YHHAOGHQDREYBR-UHFFFAOYSA-N 2 0 409.574 3.549 20 0 HHADRP COc1ccccc1O[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000537777189 1013340304 /nfs/dbraw/zinc/34/03/04/1013340304.db2.gz FLTRHVNGRNNZFD-KRWDZBQOSA-N 2 0 403.954 3.658 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445869 1013359930 /nfs/dbraw/zinc/35/99/30/1013359930.db2.gz FQHMGOJIVWTJSM-DHLKQENFSA-N 2 0 412.622 3.949 20 0 HHADRP CC(C)Oc1cccc(CNC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537842768 1013404037 /nfs/dbraw/zinc/40/40/37/1013404037.db2.gz DCEUYOKXRJEHRM-UHFFFAOYSA-N 2 0 424.589 3.724 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843545 1013405504 /nfs/dbraw/zinc/40/55/04/1013405504.db2.gz ADHVXYKWUQUWAQ-UXHICEINSA-N 2 0 424.589 3.894 20 0 HHADRP COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048816614 964064777 /nfs/dbraw/zinc/06/47/77/964064777.db2.gz STYYRDWNPCGPEM-HDICACEKSA-N 2 0 414.546 3.611 20 0 HHADRP C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000537897889 1013482201 /nfs/dbraw/zinc/48/22/01/1013482201.db2.gz VKSHNGWVNRNTGG-NRFANRHFSA-N 2 0 421.589 3.604 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)ccn1 ZINC000537937871 1013522984 /nfs/dbraw/zinc/52/29/84/1013522984.db2.gz CSPLFDBAORRBGP-SFHVURJKSA-N 2 0 420.351 3.788 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000027352645 964859103 /nfs/dbraw/zinc/85/91/03/964859103.db2.gz CDGNSIPNSKMFKF-VWLOTQADSA-N 2 0 422.617 3.903 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000028399844 965094839 /nfs/dbraw/zinc/09/48/39/965094839.db2.gz VYYYXSSQJZBUGC-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000537969205 1013546956 /nfs/dbraw/zinc/54/69/56/1013546956.db2.gz PQXJGBRWYSDUGE-UXHICEINSA-N 2 0 409.574 3.803 20 0 HHADRP CC(C)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000057168952 965320940 /nfs/dbraw/zinc/32/09/40/965320940.db2.gz FRXFIIBGMXAVLL-UHFFFAOYSA-N 2 0 405.586 3.852 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057174308 965326185 /nfs/dbraw/zinc/32/61/85/965326185.db2.gz UBBAOMQPCXYGBK-UHFFFAOYSA-N 2 0 405.586 3.988 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)c1 ZINC000029732240 965480118 /nfs/dbraw/zinc/48/01/18/965480118.db2.gz SKXPSPUJLAYORI-HXUWFJFHSA-N 2 0 404.599 3.687 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000057818066 965555311 /nfs/dbraw/zinc/55/53/11/965555311.db2.gz VMOYRESSDUOVRU-QHCPKHFHSA-N 2 0 400.611 3.879 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2)CC1 ZINC000057854512 965565730 /nfs/dbraw/zinc/56/57/30/965565730.db2.gz KECFJQCZHNPHQP-HSZRJFAPSA-N 2 0 400.611 3.833 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720006 965621067 /nfs/dbraw/zinc/62/10/67/965621067.db2.gz RVQXURNJAXGKGQ-RDPSFJRHSA-N 2 0 406.574 3.917 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000058199043 965654265 /nfs/dbraw/zinc/65/42/65/965654265.db2.gz VGCDGTJVAPBKPK-UHFFFAOYSA-N 2 0 414.525 3.685 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000054919863 965699989 /nfs/dbraw/zinc/69/99/89/965699989.db2.gz FNQYBCNSRUCPCM-JOCHJYFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000030665207 965760679 /nfs/dbraw/zinc/76/06/79/965760679.db2.gz GKGGXSVHIAUROC-VWLOTQADSA-N 2 0 417.601 3.901 20 0 HHADRP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCCC(C)C ZINC000542691636 1013610384 /nfs/dbraw/zinc/61/03/84/1013610384.db2.gz TZDRQHDRLOAIKE-UHFFFAOYSA-N 2 0 417.638 3.970 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000542715711 1013628391 /nfs/dbraw/zinc/62/83/91/1013628391.db2.gz ZRUUMWGCJOYDKA-PMACEKPBSA-N 2 0 400.611 3.933 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000060524107 966190800 /nfs/dbraw/zinc/19/08/00/966190800.db2.gz XAQSROTXQVGPPN-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000060531029 966192552 /nfs/dbraw/zinc/19/25/52/966192552.db2.gz QOIORHMPXMWXCF-JOCHJYFZSA-N 2 0 416.610 3.738 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000056937869 966522312 /nfs/dbraw/zinc/52/23/12/966522312.db2.gz YFCDEWABYUJYDJ-PMACEKPBSA-N 2 0 402.514 3.548 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000062259785 966633223 /nfs/dbraw/zinc/63/32/23/966633223.db2.gz JDZIKYOZPRIKEX-UHFFFAOYSA-N 2 0 410.587 3.995 20 0 HHADRP S=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063142616 966760373 /nfs/dbraw/zinc/76/03/73/966760373.db2.gz RYQTUQSGNSGKPT-UHFFFAOYSA-N 2 0 422.642 3.780 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063148919 966762216 /nfs/dbraw/zinc/76/22/16/966762216.db2.gz NULHTHXPMHLLLH-HXUWFJFHSA-N 2 0 402.652 3.627 20 0 HHADRP CCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2CC)cc1 ZINC000063441534 966858651 /nfs/dbraw/zinc/85/86/51/966858651.db2.gz AWIPPAYJIOATAS-UHFFFAOYSA-O 2 0 410.607 3.722 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143684 966916714 /nfs/dbraw/zinc/91/67/14/966916714.db2.gz PVYPCDRKYQVHKS-FQEVSTJZSA-N 2 0 400.592 3.577 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000043490371 966982082 /nfs/dbraw/zinc/98/20/82/966982082.db2.gz DACBHMJBAOUKDA-QHCPKHFHSA-N 2 0 415.626 3.625 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NC(=O)Nc1ccccc1F ZINC000043665660 967009586 /nfs/dbraw/zinc/00/95/86/967009586.db2.gz QMOREYVKDOCRMG-KRWDZBQOSA-N 2 0 412.509 3.638 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064228780 967095002 /nfs/dbraw/zinc/09/50/02/967095002.db2.gz LDCJAKWDRYZERK-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000064251138 967105238 /nfs/dbraw/zinc/10/52/38/967105238.db2.gz YUCYQENMPOULLK-UHFFFAOYSA-N 2 0 418.607 3.635 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000064251402 967106516 /nfs/dbraw/zinc/10/65/16/967106516.db2.gz YEPVIHHVVQKPTP-NRFANRHFSA-N 2 0 400.592 3.562 20 0 HHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847361 1013706434 /nfs/dbraw/zinc/70/64/34/1013706434.db2.gz QBNGGGUCTDDRQI-NHCUHLMSSA-N 2 0 408.464 3.749 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542845522 1013704917 /nfs/dbraw/zinc/70/49/17/1013704917.db2.gz AZDGBEVDUDQUDO-IIBYNOLFSA-N 2 0 408.571 3.931 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848721 1013707223 /nfs/dbraw/zinc/70/72/23/1013707223.db2.gz AYGYBKIWHFLYSD-DVECYGJZSA-N 2 0 407.558 3.621 20 0 HHADRP COc1c(Br)cc(Br)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516464 967227930 /nfs/dbraw/zinc/22/79/30/967227930.db2.gz DNLFRKHAGDYQDW-UHFFFAOYSA-N 2 0 406.162 3.652 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000542848113 1013707564 /nfs/dbraw/zinc/70/75/64/1013707564.db2.gz HQDFZAORUCPGBC-KBMIEXCESA-N 2 0 404.558 3.988 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850558 1013709049 /nfs/dbraw/zinc/70/90/49/1013709049.db2.gz YXNMFGGSOLTCPQ-LAUBAEHRSA-N 2 0 419.338 3.932 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000065550459 967515865 /nfs/dbraw/zinc/51/58/65/967515865.db2.gz XHZJAUOWZXEFIB-IBGZPJMESA-N 2 0 400.611 3.769 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000046123484 967668900 /nfs/dbraw/zinc/66/89/00/967668900.db2.gz LQMOTLKQYYBPGX-SFTDATJTSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000046129407 967670826 /nfs/dbraw/zinc/67/08/26/967670826.db2.gz XBXBKVXKCPMGMB-SFTDATJTSA-N 2 0 412.622 3.934 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000554030461 1013764230 /nfs/dbraw/zinc/76/42/30/1013764230.db2.gz GWUWITLHAPATEN-INIZCTEOSA-N 2 0 415.651 3.995 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211986 1013765147 /nfs/dbraw/zinc/76/51/47/1013765147.db2.gz PMAPUNSQBWIDOG-MOPGFXCFSA-N 2 0 422.552 3.960 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000047718371 968286774 /nfs/dbraw/zinc/28/67/74/968286774.db2.gz SOSVCQYDGXEXOL-UHFFFAOYSA-N 2 0 401.938 3.794 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000047935856 968369942 /nfs/dbraw/zinc/36/99/42/968369942.db2.gz XPLAELXDWIOGIW-QFIPXVFZSA-N 2 0 400.542 3.768 20 0 HHADRP COc1cccc([C@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268516 1013808819 /nfs/dbraw/zinc/80/88/19/1013808819.db2.gz IODNNQOGFIDZOH-GOTSBHOMSA-N 2 0 409.574 3.876 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000048395418 968540795 /nfs/dbraw/zinc/54/07/95/968540795.db2.gz HQIKHKBZSJWVFH-UHFFFAOYSA-N 2 0 406.574 3.841 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037667 968778156 /nfs/dbraw/zinc/77/81/56/968778156.db2.gz JKBPCTMETCGFMZ-UHFFFAOYSA-N 2 0 412.622 3.779 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCc1nnc3n1CCCCC3)c1ccccc1O2 ZINC000538294367 1013829590 /nfs/dbraw/zinc/82/95/90/1013829590.db2.gz RBPLOCDHXCOLCP-FQEVSTJZSA-N 2 0 409.578 3.515 20 0 HHADRP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295209 1013829936 /nfs/dbraw/zinc/82/99/36/1013829936.db2.gz YWHYJDBRHCGFHU-IFMALSPDSA-N 2 0 421.589 3.586 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297552 1013832746 /nfs/dbraw/zinc/83/27/46/1013832746.db2.gz VECSQURACQLEPZ-XXBNENTESA-N 2 0 405.542 3.649 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000110149174 969630068 /nfs/dbraw/zinc/63/00/68/969630068.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 2 0 411.512 3.678 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000110464602 969672171 /nfs/dbraw/zinc/67/21/71/969672171.db2.gz ZXZCIMQTGBFZLD-UHFFFAOYSA-N 2 0 419.356 3.706 20 0 HHADRP O=C(NCCC[NH+]1CCCCCC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000111067652 969770434 /nfs/dbraw/zinc/77/04/34/969770434.db2.gz OYLZDVBTQDPFOE-NRFANRHFSA-N 2 0 411.512 3.823 20 0 HHADRP c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000111192374 969797968 /nfs/dbraw/zinc/79/79/68/969797968.db2.gz BTTKIYRCRIYDQX-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000139326072 970029276 /nfs/dbraw/zinc/02/92/76/970029276.db2.gz UGSWFFSTSWJFDF-UHFFFAOYSA-N 2 0 413.512 3.955 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000229618630 970131530 /nfs/dbraw/zinc/13/15/30/970131530.db2.gz UJQWBPVXHDTRRP-WATLYSKOSA-N 2 0 423.601 3.995 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000142198667 970145809 /nfs/dbraw/zinc/14/58/09/970145809.db2.gz KLLQAJXYSUYNIX-LJQANCHMSA-N 2 0 406.640 3.914 20 0 HHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000236715546 970161502 /nfs/dbraw/zinc/16/15/02/970161502.db2.gz PJDZWDXXTSNMQL-UHFFFAOYSA-N 2 0 423.601 3.684 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236848779 970179727 /nfs/dbraw/zinc/17/97/27/970179727.db2.gz NSUWXKXJVRGPFE-FQEVSTJZSA-N 2 0 423.630 3.776 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849552 970180608 /nfs/dbraw/zinc/18/06/08/970180608.db2.gz HRQOZLQWYSYMLN-JOCHJYFZSA-N 2 0 417.601 3.714 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000236944962 970192209 /nfs/dbraw/zinc/19/22/09/970192209.db2.gz BXASCEIMKIQETI-UHFFFAOYSA-N 2 0 406.368 3.826 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000236978382 970198922 /nfs/dbraw/zinc/19/89/22/970198922.db2.gz JFDCPEYMPYZLKC-OAHLLOKOSA-N 2 0 412.525 3.945 20 0 HHADRP COc1ccccc1-c1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000237099098 970222175 /nfs/dbraw/zinc/22/21/75/970222175.db2.gz LRYYXEOEDLEHMO-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144273837 970226839 /nfs/dbraw/zinc/22/68/39/970226839.db2.gz CXLHVEAEIWXZIZ-GOSISDBHSA-N 2 0 414.516 3.511 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000237170098 970235024 /nfs/dbraw/zinc/23/50/24/970235024.db2.gz CDWHWGLASLWWDM-UHFFFAOYSA-N 2 0 423.630 3.776 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237171737 970235104 /nfs/dbraw/zinc/23/51/04/970235104.db2.gz XZOYQWGDYFFYEY-UHFFFAOYSA-N 2 0 424.420 3.664 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000237172926 970236085 /nfs/dbraw/zinc/23/60/85/970236085.db2.gz ACBFEEGMKZXBHX-UHFFFAOYSA-N 2 0 411.880 3.523 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000237205603 970241435 /nfs/dbraw/zinc/24/14/35/970241435.db2.gz SRLCRZJOLUHCDP-UHFFFAOYSA-N 2 0 417.347 3.955 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(C(=O)OCC(C)C)CC3)CC2)cc1 ZINC000237288809 970256332 /nfs/dbraw/zinc/25/63/32/970256332.db2.gz WPFPPHLSGPVDAD-UHFFFAOYSA-N 2 0 417.594 3.754 20 0 HHADRP C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)CN1CC[NH+](C)CC1 ZINC000237415662 970281037 /nfs/dbraw/zinc/28/10/37/970281037.db2.gz YQRULTRMVAKMMA-SFHVURJKSA-N 2 0 414.981 3.565 20 0 HHADRP C[C@@H](C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)CN1CC[NH+](C)CC1 ZINC000237435484 970285963 /nfs/dbraw/zinc/28/59/63/970285963.db2.gz AQWBSDZZERRQHT-HNNXBMFYSA-N 2 0 411.040 3.921 20 0 HHADRP Cc1ccc(O)c(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000237759682 970357484 /nfs/dbraw/zinc/35/74/84/970357484.db2.gz KZEPLTYZTJFYCK-UHFFFAOYSA-N 2 0 422.495 3.806 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)c2)C1 ZINC000237940802 970400664 /nfs/dbraw/zinc/40/06/64/970400664.db2.gz OCQFFVDEVGBJTL-NRFANRHFSA-N 2 0 420.582 3.797 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237940702 970401222 /nfs/dbraw/zinc/40/12/22/970401222.db2.gz MJACXJFPNAIVJO-VWLOTQADSA-N 2 0 414.553 3.736 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000252166282 970554640 /nfs/dbraw/zinc/55/46/40/970554640.db2.gz QMXLEQNZNWBPTF-MQSCRBSSSA-N 2 0 400.611 3.881 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000554691501 1014014559 /nfs/dbraw/zinc/01/45/59/1014014559.db2.gz IMENJPHGRRBQJE-LJQANCHMSA-N 2 0 412.553 3.610 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000554820707 1014059722 /nfs/dbraw/zinc/05/97/22/1014059722.db2.gz XYZLXLFCWACCFM-DEOSSOPVSA-N 2 0 405.586 3.993 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000410313436 973857527 /nfs/dbraw/zinc/85/75/27/973857527.db2.gz PICBBAUDPYMXGX-RUZDIDTESA-N 2 0 422.617 3.858 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000410325143 973881472 /nfs/dbraw/zinc/88/14/72/973881472.db2.gz GROQUSHCASICBJ-UHFFFAOYSA-N 2 0 421.589 3.531 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351750 973942996 /nfs/dbraw/zinc/94/29/96/973942996.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990515 974103501 /nfs/dbraw/zinc/10/35/01/974103501.db2.gz MNQGLDRNZAJETI-SFHVURJKSA-N 2 0 414.516 3.567 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000426158813 974272988 /nfs/dbraw/zinc/27/29/88/974272988.db2.gz DEMDDMYJDQUQAM-UHFFFAOYSA-N 2 0 400.567 3.643 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000426793889 974665046 /nfs/dbraw/zinc/66/50/46/974665046.db2.gz PQMIAEVAQAXLCV-UAFMIMERSA-N 2 0 419.585 3.603 20 0 HHADRP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426814228 974679857 /nfs/dbraw/zinc/67/98/57/974679857.db2.gz DKEBYYZXAQBHCH-HBMCJLEFSA-N 2 0 405.627 3.593 20 0 HHADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCS2 ZINC000427691137 975240222 /nfs/dbraw/zinc/24/02/22/975240222.db2.gz SHYYCZJRSCDDPF-OAQYLSRUSA-N 2 0 411.619 3.822 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000427720772 975252410 /nfs/dbraw/zinc/25/24/10/975252410.db2.gz GYKFJYRAFFFFJD-IBGZPJMESA-N 2 0 420.479 3.559 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428328242 975634233 /nfs/dbraw/zinc/63/42/33/975634233.db2.gz XUDFIKBIRDRBPK-BGYRXZFFSA-N 2 0 412.622 3.838 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643786 975945732 /nfs/dbraw/zinc/94/57/32/975945732.db2.gz RUXYUPJVHQLNMD-FUPPJEDESA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428914112 976215434 /nfs/dbraw/zinc/21/54/34/976215434.db2.gz XYNQQZDOJPQMQZ-PGRDOPGGSA-N 2 0 412.553 3.740 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079316 976363949 /nfs/dbraw/zinc/36/39/49/976363949.db2.gz AGZYRCAIKPQHBB-ZJSXRUAMSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H]1CN(CCCCC[N@@H+]2CCN(C3CCC3)C[C@H](C)C2)CC[NH+](C2CCC2)C1 ZINC000429356182 976622307 /nfs/dbraw/zinc/62/23/07/976622307.db2.gz UEAILBCPEGTHFZ-DHIUTWEWSA-N 2 0 404.687 3.769 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000429431556 976709724 /nfs/dbraw/zinc/70/97/24/976709724.db2.gz NQSKTQPIJWANLM-OAHLLOKOSA-N 2 0 410.967 3.535 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H](C)C1 ZINC000429457593 976730758 /nfs/dbraw/zinc/73/07/58/976730758.db2.gz UZFGGXDZLRDIOZ-QLBRKBSLSA-N 2 0 406.586 3.626 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504484 976759870 /nfs/dbraw/zinc/75/98/70/976759870.db2.gz QJWVYEPEAIHUHE-HSZRJFAPSA-N 2 0 414.638 3.975 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075133 /nfs/dbraw/zinc/07/51/33/977075133.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 0 409.574 3.544 20 0 HHADRP C[C@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000430236854 977410996 /nfs/dbraw/zinc/41/09/96/977410996.db2.gz CDAVKIDFLBTXOL-HOKHCIIBSA-N 2 0 412.622 3.993 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@H+](CCc2ccccn2)Cc2cccnc2)CC1 ZINC000430871817 977836353 /nfs/dbraw/zinc/83/63/53/977836353.db2.gz YDNCGJRNWIGDTD-UHFFFAOYSA-N 2 0 415.585 3.863 20 0 HHADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C/C=C\c1cccc(F)c1 ZINC000431054741 977983176 /nfs/dbraw/zinc/98/31/76/977983176.db2.gz UNTILJXFIAAMBG-XQRVVYSFSA-N 2 0 401.570 3.884 20 0 HHADRP Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431102423 978019460 /nfs/dbraw/zinc/01/94/60/978019460.db2.gz SINNJTVYUDVFNO-SFHVURJKSA-N 2 0 412.582 3.709 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000431651292 978410885 /nfs/dbraw/zinc/41/08/85/978410885.db2.gz ZJGYJGUHKBCYHQ-UHFFFAOYSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431675383 978428569 /nfs/dbraw/zinc/42/85/69/978428569.db2.gz IEJDTADNPOITAK-HUVFLSCGSA-N 2 0 408.590 3.512 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000431956723 978618355 /nfs/dbraw/zinc/61/83/55/978618355.db2.gz VCSRRTXDKSQOAY-IRLDBZIGSA-N 2 0 422.658 3.610 20 0 HHADRP Fc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1Cl ZINC000432247493 978728743 /nfs/dbraw/zinc/72/87/43/978728743.db2.gz TXAAUFWFJSUOQZ-UHFFFAOYSA-N 2 0 412.340 3.615 20 0 HHADRP COc1cc(CN2CCC([NH2+]C(C)C)CC2)cc(CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000432831885 978987084 /nfs/dbraw/zinc/98/70/84/978987084.db2.gz LLLZCBZVNPBCQM-UHFFFAOYSA-N 2 0 416.654 3.620 20 0 HHADRP COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000432837135 978988292 /nfs/dbraw/zinc/98/82/92/978988292.db2.gz QVLPSXRHUJRRHL-ZGFBMJKBSA-N 2 0 414.590 3.790 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)c2)CC1 ZINC000433094727 979070735 /nfs/dbraw/zinc/07/07/35/979070735.db2.gz YEAIMARMTYGVKF-OAQYLSRUSA-N 2 0 416.610 3.583 20 0 HHADRP CC(C)c1nnc(NC(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000433175497 979119166 /nfs/dbraw/zinc/11/91/66/979119166.db2.gz OMHSOPDBVGNEMA-UHFFFAOYSA-N 2 0 413.591 3.588 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433192218 979131752 /nfs/dbraw/zinc/13/17/52/979131752.db2.gz KEKCSXOYMIOGIB-XMMPIXPASA-N 2 0 424.585 3.561 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433346883 979252895 /nfs/dbraw/zinc/25/28/95/979252895.db2.gz IVNXOOTYFFDEPV-GOSISDBHSA-N 2 0 412.553 3.520 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000435060276 980604634 /nfs/dbraw/zinc/60/46/34/980604634.db2.gz SJSNFDHJGZCDJO-UHFFFAOYSA-N 2 0 407.606 3.741 20 0 HHADRP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435286731 980760359 /nfs/dbraw/zinc/76/03/59/980760359.db2.gz DLSMPKLBVFSBIK-HSZRJFAPSA-N 2 0 417.557 3.952 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000435525108 980919709 /nfs/dbraw/zinc/91/97/09/980919709.db2.gz HWVMTDVBQRFHFG-VXKWHMMOSA-N 2 0 424.593 3.587 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)c2)C1 ZINC000436227600 981259412 /nfs/dbraw/zinc/25/94/12/981259412.db2.gz MPAKCKOJJDNPDK-GPUOULLFSA-N 2 0 405.586 3.885 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000436231480 981260718 /nfs/dbraw/zinc/26/07/18/981260718.db2.gz FTIMSKLIKNXRNE-UHFFFAOYSA-N 2 0 405.542 3.835 20 0 HHADRP Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)cn2)cc1 ZINC000436233287 981261485 /nfs/dbraw/zinc/26/14/85/981261485.db2.gz SBGDHZLYJYXJAV-UHFFFAOYSA-N 2 0 408.521 3.835 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)cc2)C[C@@H](C)O1 ZINC000436274746 981280274 /nfs/dbraw/zinc/28/02/74/981280274.db2.gz MVUPKEYRSWIGTK-WOJBJXKFSA-N 2 0 422.548 3.970 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000436418819 981358543 /nfs/dbraw/zinc/35/85/43/981358543.db2.gz YFPSUULIZCAJCQ-RXVVDRJESA-N 2 0 413.528 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000448203200 981615685 /nfs/dbraw/zinc/61/56/85/981615685.db2.gz HNVVVJJQBVRKHO-KWDCZQRMSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448206415 981618827 /nfs/dbraw/zinc/61/88/27/981618827.db2.gz UZAMBXSHPHUXIZ-NHCICSSKSA-N 2 0 410.606 3.870 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448208248 981621540 /nfs/dbraw/zinc/62/15/40/981621540.db2.gz GDXOBFDAQTZPIW-YMPZKCBVSA-N 2 0 400.611 3.564 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000437124479 981776759 /nfs/dbraw/zinc/77/67/59/981776759.db2.gz BZSWZOYSLBYDAR-UHFFFAOYSA-N 2 0 407.606 3.699 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000448463333 981796412 /nfs/dbraw/zinc/79/64/12/981796412.db2.gz ARKKLMMSFHHDJF-JRGCBEDISA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448467388 981804058 /nfs/dbraw/zinc/80/40/58/981804058.db2.gz QHMCCIJFVPYCJN-QFIPXVFZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000448468726 981807069 /nfs/dbraw/zinc/80/70/69/981807069.db2.gz WGZVCPJFWVKEAG-VIZSFHNOSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161208 981934142 /nfs/dbraw/zinc/93/41/42/981934142.db2.gz KXDWLJSMDXXAOV-LOSJGSFVSA-N 2 0 420.601 3.802 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000460164588 981937051 /nfs/dbraw/zinc/93/70/51/981937051.db2.gz DFVVDWPBRIZZFH-ZEQRLZLVSA-N 2 0 412.622 3.662 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460338289 982110244 /nfs/dbraw/zinc/11/02/44/982110244.db2.gz IXAUJBJJNBASIU-FYYLOGMGSA-N 2 0 424.564 3.551 20 0 HHADRP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)(C)C ZINC000460339342 982111297 /nfs/dbraw/zinc/11/12/97/982111297.db2.gz CFXNUNXEOUXDBC-BDTNDASRSA-N 2 0 400.611 3.516 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437644062 982263312 /nfs/dbraw/zinc/26/33/12/982263312.db2.gz USTGNCNNYVBZLJ-JOCHJYFZSA-N 2 0 416.610 3.613 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000460553199 982339180 /nfs/dbraw/zinc/33/91/80/982339180.db2.gz WYGSCUIESVVBLI-GGAORHGYSA-N 2 0 424.564 3.551 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000437919861 982463262 /nfs/dbraw/zinc/46/32/62/982463262.db2.gz MKWHCFZGHWMZMV-UHFFFAOYSA-N 2 0 411.550 3.543 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000438208894 982653744 /nfs/dbraw/zinc/65/37/44/982653744.db2.gz BUZDPFNCLQOXGB-IHWFROFDSA-N 2 0 418.582 3.553 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438482356 982829294 /nfs/dbraw/zinc/82/92/94/982829294.db2.gz YBCVXSSISGOXMZ-QFQXNSOFSA-N 2 0 405.586 3.819 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461209935 982924159 /nfs/dbraw/zinc/92/41/59/982924159.db2.gz CKFKKXNVYFYDHO-WAABAYLZSA-N 2 0 420.601 3.841 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000438711844 983020303 /nfs/dbraw/zinc/02/03/03/983020303.db2.gz OOUQBIHHAQLDIT-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429652 983092202 /nfs/dbraw/zinc/09/22/02/983092202.db2.gz NWYYNJZKJBZLQK-JWQCQUIFSA-N 2 0 403.570 3.877 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448404 983114112 /nfs/dbraw/zinc/11/41/12/983114112.db2.gz YDHSRGPVZITXQN-CLJLJLNGSA-N 2 0 417.597 3.879 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454172 983120655 /nfs/dbraw/zinc/12/06/55/983120655.db2.gz GMTWVMDEMMYLDM-ATPOPXNDSA-N 2 0 417.597 3.735 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000438967876 983184633 /nfs/dbraw/zinc/18/46/33/983184633.db2.gz NGLYAYHOQQVYPU-IBGZPJMESA-N 2 0 401.599 3.561 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970126 983186152 /nfs/dbraw/zinc/18/61/52/983186152.db2.gz UOIQFTMXMNJELS-OFNKIYASSA-N 2 0 415.626 3.663 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000439088003 983244919 /nfs/dbraw/zinc/24/49/19/983244919.db2.gz SAEAYLQGGMBPIA-FQEVSTJZSA-N 2 0 424.589 3.512 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142574 983270641 /nfs/dbraw/zinc/27/06/41/983270641.db2.gz PFFKHLJBNWAKIG-KDOFPFPSSA-N 2 0 400.430 3.825 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194284 983303174 /nfs/dbraw/zinc/30/31/74/983303174.db2.gz VYIVLSIJADEUAK-REHUZNOOSA-N 2 0 421.589 3.569 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199476 983307274 /nfs/dbraw/zinc/30/72/74/983307274.db2.gz NYZIMYYBHYGESP-DHIUTWEWSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+]2CCCC2)o1 ZINC000439349569 983375148 /nfs/dbraw/zinc/37/51/48/983375148.db2.gz ZEBFCVHYXWZBFH-IBGZPJMESA-N 2 0 404.580 3.560 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420589 983402167 /nfs/dbraw/zinc/40/21/67/983402167.db2.gz HNARWPANCAKNSY-UGKGYDQZSA-N 2 0 414.619 3.732 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000440094700 983642226 /nfs/dbraw/zinc/64/22/26/983642226.db2.gz JDRJCYTVZNUPSX-WIYYLYMNSA-N 2 0 413.566 3.582 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC000440179514 983671436 /nfs/dbraw/zinc/67/14/36/983671436.db2.gz PCOJWPMVMYZISV-PKTZIBPZSA-N 2 0 415.626 3.588 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440180057 983672012 /nfs/dbraw/zinc/67/20/12/983672012.db2.gz QQNPSJXFUMDECP-UNWVZKJWSA-N 2 0 415.626 3.807 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000441518215 984299431 /nfs/dbraw/zinc/29/94/31/984299431.db2.gz SHRQIQJTXVNDHY-JITJBCMDSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442242292 984763798 /nfs/dbraw/zinc/76/37/98/984763798.db2.gz MZEXKYDCRLWFRX-WBXPGEFWSA-N 2 0 400.611 3.563 20 0 HHADRP CC(C)[C@@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000461796808 984784428 /nfs/dbraw/zinc/78/44/28/984784428.db2.gz JMBVMVGWNLVKPX-RUZDIDTESA-N 2 0 415.572 3.980 20 0 HHADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864753 985250788 /nfs/dbraw/zinc/25/07/88/985250788.db2.gz AMKSELGLIGXTSV-HXUWFJFHSA-N 2 0 421.589 3.590 20 0 HHADRP COc1ccc(C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878673 985255628 /nfs/dbraw/zinc/25/56/28/985255628.db2.gz UITGMPCGRYKAQQ-DEOSSOPVSA-N 2 0 411.590 3.603 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876901 985256019 /nfs/dbraw/zinc/25/60/19/985256019.db2.gz SHZNNJAAOCRVOA-HXUWFJFHSA-N 2 0 424.427 3.532 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1)CC(C)C ZINC000462509901 985460892 /nfs/dbraw/zinc/46/08/92/985460892.db2.gz FXPOAFTTZZDHLL-UHFFFAOYSA-N 2 0 412.688 3.603 20 0 HHADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462510646 985461585 /nfs/dbraw/zinc/46/15/85/985461585.db2.gz LQKBZABQCQYTLN-PZJWPPBQSA-N 2 0 418.651 3.681 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524629 985474780 /nfs/dbraw/zinc/47/47/80/985474780.db2.gz WQNCHMAUVCWVSS-SQJMNOBHSA-N 2 0 420.601 3.513 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679997 985618753 /nfs/dbraw/zinc/61/87/53/985618753.db2.gz SQIOZHVGARGNDD-SIKLNZKXSA-N 2 0 410.562 3.577 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735473 985681006 /nfs/dbraw/zinc/68/10/06/985681006.db2.gz BHMHBBOYUPRUMK-XZOQPEGZSA-N 2 0 400.611 3.805 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462741460 985683316 /nfs/dbraw/zinc/68/33/16/985683316.db2.gz ULLCVDURJRTWAR-QFIPXVFZSA-N 2 0 412.578 3.655 20 0 HHADRP Clc1cc(Br)ccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000462772750 985709120 /nfs/dbraw/zinc/70/91/20/985709120.db2.gz KHBZGYCHTYPJCQ-UHFFFAOYSA-N 2 0 423.786 3.799 20 0 HHADRP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1OC ZINC000443593824 985769802 /nfs/dbraw/zinc/76/98/02/985769802.db2.gz QBLLWKLIQJADDQ-SFHVURJKSA-N 2 0 403.567 3.619 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443610694 985789462 /nfs/dbraw/zinc/78/94/62/985789462.db2.gz ZPFYHWBNGRXOBP-UXHICEINSA-N 2 0 401.595 3.849 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462879058 985803479 /nfs/dbraw/zinc/80/34/79/985803479.db2.gz PIGZLYRTOCSVRD-RDGATRHJSA-N 3 0 418.645 3.995 20 0 HHADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015353 985970189 /nfs/dbraw/zinc/97/01/89/985970189.db2.gz WZIACWMBCMAXBR-DHIUTWEWSA-N 2 0 404.595 3.858 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016651 985972437 /nfs/dbraw/zinc/97/24/37/985972437.db2.gz UWVCITSAZHZCTC-GBXCKJPGSA-N 2 0 406.574 3.602 20 0 HHADRP FC(F)(F)CCN1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000463074296 986031367 /nfs/dbraw/zinc/03/13/67/986031367.db2.gz CRNBJHHQRLLPIM-UHFFFAOYSA-N 2 0 412.544 3.595 20 0 HHADRP CC1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000444183160 986361683 /nfs/dbraw/zinc/36/16/83/986361683.db2.gz NDWLBGNZCOHRQQ-UHFFFAOYSA-N 2 0 421.585 3.884 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000463628882 986604970 /nfs/dbraw/zinc/60/49/70/986604970.db2.gz MFAJUVHAFAXBDJ-HXUWFJFHSA-N 2 0 400.592 3.607 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444685325 986865015 /nfs/dbraw/zinc/86/50/15/986865015.db2.gz NVNFLSPVNRQPGX-OAQYLSRUSA-N 2 0 405.586 3.819 20 0 HHADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871825 /nfs/dbraw/zinc/87/18/25/986871825.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 2 0 410.606 3.701 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469219994 986942094 /nfs/dbraw/zinc/94/20/94/986942094.db2.gz FCINESBCVUUMQO-AJSBUHFISA-N 2 0 411.977 3.624 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000444925676 987072665 /nfs/dbraw/zinc/07/26/65/987072665.db2.gz VLLICODRNOGCFM-UHFFFAOYSA-N 2 0 400.567 3.547 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444962380 987096450 /nfs/dbraw/zinc/09/64/50/987096450.db2.gz UNYYUVLHURVHGC-HSZRJFAPSA-N 2 0 412.622 3.633 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000469433517 987120225 /nfs/dbraw/zinc/12/02/25/987120225.db2.gz FRFYTPJAFJKMMJ-NHTMILBNSA-N 2 0 412.622 3.801 20 0 HHADRP CCOCc1ccc(CNC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761140 987414037 /nfs/dbraw/zinc/41/40/37/987414037.db2.gz RBOVQGBYVYLCSK-ACWUQQCTSA-N 2 0 423.601 3.586 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469776782 987426445 /nfs/dbraw/zinc/42/64/45/987426445.db2.gz SMDSYGRFOIENJT-HOIFWPIMSA-N 2 0 405.533 3.698 20 0 HHADRP CCOC(=O)[C@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000470137896 988043740 /nfs/dbraw/zinc/04/37/40/988043740.db2.gz MMVIFGIMNNYMOQ-AREMUKBSSA-N 2 0 423.601 3.828 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000463964083 988076778 /nfs/dbraw/zinc/07/67/78/988076778.db2.gz LIGDJGSKVGUUJB-VXKWHMMOSA-N 2 0 410.562 3.580 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470274557 988227498 /nfs/dbraw/zinc/22/74/98/988227498.db2.gz KUPIMYAYBRQJOR-BEFAXECRSA-N 2 0 414.516 3.680 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518977 988517392 /nfs/dbraw/zinc/51/73/92/988517392.db2.gz BKISCGVRXYNVRL-QFIPXVFZSA-N 2 0 420.601 3.565 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552539 988565566 /nfs/dbraw/zinc/56/55/66/988565566.db2.gz XJWJXTXVQLFFPQ-NSHGMRRFSA-N 2 0 411.512 3.772 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470738007 988773284 /nfs/dbraw/zinc/77/32/84/988773284.db2.gz RTPGDPXIKPWDTB-GHTZIAJQSA-N 2 0 404.986 3.604 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747940 988788224 /nfs/dbraw/zinc/78/82/24/988788224.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000470891232 988963940 /nfs/dbraw/zinc/96/39/40/988963940.db2.gz YTCBKFPRVCWMNX-IRFCIJBXSA-N 2 0 404.624 3.504 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000470892429 988965265 /nfs/dbraw/zinc/96/52/65/988965265.db2.gz MGNWBPPEQNHUJN-QFIPXVFZSA-N 2 0 412.622 3.936 20 0 HHADRP CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898293 988971949 /nfs/dbraw/zinc/97/19/49/988971949.db2.gz CQWYLBQATCASHO-JOCHJYFZSA-N 2 0 412.553 3.693 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000470982062 989046572 /nfs/dbraw/zinc/04/65/72/989046572.db2.gz JNHYMYRKAMUUDV-HNNXBMFYSA-N 2 0 412.347 3.581 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000464824055 989061667 /nfs/dbraw/zinc/06/16/67/989061667.db2.gz SCFQOOYARLLSLM-NHCUHLMSSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471230018 989373745 /nfs/dbraw/zinc/37/37/45/989373745.db2.gz KCTKLILBBBDZJS-SFHVURJKSA-N 2 0 415.528 3.986 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231012 989376277 /nfs/dbraw/zinc/37/62/77/989376277.db2.gz BVFOHYRQUQZKBX-DYVFJYSZSA-N 2 0 400.336 3.579 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471515011 989714263 /nfs/dbraw/zinc/71/42/63/989714263.db2.gz OOJFYXXAZDIMKO-QHCPKHFHSA-N 2 0 420.601 3.994 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465405781 989752873 /nfs/dbraw/zinc/75/28/73/989752873.db2.gz MGJGQJSSQIXTHC-PKTZIBPZSA-N 2 0 424.589 3.970 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465405779 989753313 /nfs/dbraw/zinc/75/33/13/989753313.db2.gz MGJGQJSSQIXTHC-DHIUTWEWSA-N 2 0 424.589 3.970 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000465419434 989764631 /nfs/dbraw/zinc/76/46/31/989764631.db2.gz FUFMKLCQWSDIFG-DQEYMECFSA-N 2 0 422.617 3.713 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465419396 989765262 /nfs/dbraw/zinc/76/52/62/989765262.db2.gz AXCMTPOHJMDEAW-XXBNENTESA-N 2 0 412.553 3.734 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421533 989766881 /nfs/dbraw/zinc/76/68/81/989766881.db2.gz LBUURULJVWGWLE-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)ccc21 ZINC000465429580 989774498 /nfs/dbraw/zinc/77/44/98/989774498.db2.gz HSPJAZSVMGACDK-QHCPKHFHSA-N 2 0 414.594 3.715 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437833 989783569 /nfs/dbraw/zinc/78/35/69/989783569.db2.gz HNAATCGNIXEMLS-ILBGXUMGSA-N 2 0 420.601 3.987 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000465440836 989785065 /nfs/dbraw/zinc/78/50/65/989785065.db2.gz IGLYZZSORXRVMH-FQEVSTJZSA-N 2 0 400.611 3.849 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601325 989804550 /nfs/dbraw/zinc/80/45/50/989804550.db2.gz ILCSXOJUXBVGFF-RBBKRZOGSA-N 2 0 414.619 3.952 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471601968 989805916 /nfs/dbraw/zinc/80/59/16/989805916.db2.gz AFZACWWKHCJZST-IPJUCJBFSA-N 2 0 418.548 3.746 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)c2)CC1 ZINC000471623283 989829833 /nfs/dbraw/zinc/82/98/33/989829833.db2.gz ZNSNFFOQMJBIAM-UHFFFAOYSA-N 2 0 406.530 3.889 20 0 HHADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cc1 ZINC000471651320 989855854 /nfs/dbraw/zinc/85/58/54/989855854.db2.gz BWXLSARKAGEUBD-IBGZPJMESA-N 2 0 403.368 3.837 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465524061 989878163 /nfs/dbraw/zinc/87/81/63/989878163.db2.gz CYNPSSUXZVUDNX-JTHBVZDNSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000471681854 989885352 /nfs/dbraw/zinc/88/53/52/989885352.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 2 0 420.601 3.645 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000465530015 989889851 /nfs/dbraw/zinc/88/98/51/989889851.db2.gz XYXNTLFRXBQKCP-QZNHQXDQSA-N 2 0 400.611 3.803 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000465532511 989891946 /nfs/dbraw/zinc/89/19/46/989891946.db2.gz FZGFPVWIBJINEV-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000465535365 989897638 /nfs/dbraw/zinc/89/76/38/989897638.db2.gz BCTGEQDNZZAAKC-FUPPJEDESA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465536991 989900461 /nfs/dbraw/zinc/90/04/61/989900461.db2.gz FXQBONJHFUPACK-VLVHOKLOSA-N 2 0 400.611 3.789 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465549527 989913172 /nfs/dbraw/zinc/91/31/72/989913172.db2.gz SFIHDRYOXYSDPX-CQOQZXRMSA-N 2 0 414.638 3.908 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000465551987 989915082 /nfs/dbraw/zinc/91/50/82/989915082.db2.gz ABDQGQOGLHMZHG-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000465558834 989924372 /nfs/dbraw/zinc/92/43/72/989924372.db2.gz UNXIRMIGPGSWJA-QHCPKHFHSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465588036 989964431 /nfs/dbraw/zinc/96/44/31/989964431.db2.gz DEVRTLDJGSKSPW-CQOQZXRMSA-N 2 0 414.638 3.908 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000465594679 989974778 /nfs/dbraw/zinc/97/47/78/989974778.db2.gz ILVQMJHWRDPQDZ-TZIWHRDSSA-N 2 0 404.599 3.592 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613871 989999244 /nfs/dbraw/zinc/99/92/44/989999244.db2.gz ZRZHCCYOOYCPDA-GGAORHGYSA-N 2 0 400.611 3.662 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000465633632 990019473 /nfs/dbraw/zinc/01/94/73/990019473.db2.gz VRJZUMYAARASJV-XMMPIXPASA-N 2 0 408.590 3.802 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000465696928 990083494 /nfs/dbraw/zinc/08/34/94/990083494.db2.gz SXZSZJRGKSKJMP-UNMCSNQZSA-N 2 0 416.610 3.738 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713090 990098266 /nfs/dbraw/zinc/09/82/66/990098266.db2.gz BBRVDDVTAMUCNE-KFKAGJAMSA-N 2 0 414.516 3.870 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000465730665 990116398 /nfs/dbraw/zinc/11/63/98/990116398.db2.gz UIZQBNNVXNZPOL-QHCPKHFHSA-N 2 0 400.611 3.881 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465745158 990130352 /nfs/dbraw/zinc/13/03/52/990130352.db2.gz QMGAOISIARCUKH-RVDAZCDBSA-N 2 0 406.640 3.797 20 0 HHADRP C[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883456 991005469 /nfs/dbraw/zinc/00/54/69/991005469.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 2 0 408.590 3.813 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000465912625 991043656 /nfs/dbraw/zinc/04/36/56/991043656.db2.gz ZWPPQGLIJRXZJW-UHFFFAOYSA-N 2 0 421.029 3.973 20 0 HHADRP Cc1ccc(N2CCC(NC(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc1 ZINC000465951483 991091369 /nfs/dbraw/zinc/09/13/69/991091369.db2.gz FYPFLFBGXRTKSX-UHFFFAOYSA-N 2 0 421.589 3.665 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962408 991107104 /nfs/dbraw/zinc/10/71/04/991107104.db2.gz YSKZGUOFZIYWTN-GOTSBHOMSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466079414 991254556 /nfs/dbraw/zinc/25/45/56/991254556.db2.gz OWXHAXHIBKJWBA-CTNGQTDRSA-N 2 0 406.640 3.894 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466137025 991317469 /nfs/dbraw/zinc/31/74/69/991317469.db2.gz GRRDXLRFEMUXGP-RDPSFJRHSA-N 2 0 406.574 3.613 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228577 991450582 /nfs/dbraw/zinc/45/05/82/991450582.db2.gz WFAJGKJZHKDHBG-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292544 991542687 /nfs/dbraw/zinc/54/26/87/991542687.db2.gz BPUSNZJOGGEAGK-FQEVSTJZSA-N 2 0 402.583 3.793 20 0 HHADRP Brc1cncc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000466367313 991640674 /nfs/dbraw/zinc/64/06/74/991640674.db2.gz SEKNJMPCSVBXHT-UHFFFAOYSA-N 2 0 403.368 3.536 20 0 HHADRP Cc1ccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1NC(=O)CC[NH+](C)C ZINC000466445074 991734063 /nfs/dbraw/zinc/73/40/63/991734063.db2.gz CRZJIBZIEGUEDH-UHFFFAOYSA-N 2 0 415.607 3.720 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466532437 991832810 /nfs/dbraw/zinc/83/28/10/991832810.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 2 0 420.601 3.813 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466541533 991847536 /nfs/dbraw/zinc/84/75/36/991847536.db2.gz RQQANMVALIPJKB-IFMALSPDSA-N 2 0 421.589 3.613 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000466723470 992034407 /nfs/dbraw/zinc/03/44/07/992034407.db2.gz UTZMHRQGBLKZOD-UHFFFAOYSA-N 2 0 406.958 3.755 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467086516 992392098 /nfs/dbraw/zinc/39/20/98/992392098.db2.gz UVAUSKFLYBGBSB-BWKNWUBXSA-N 2 0 422.617 3.985 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467401172 992708915 /nfs/dbraw/zinc/70/89/15/992708915.db2.gz BMIUASAGVOCXJK-UWJYYQICSA-N 2 0 424.427 3.532 20 0 HHADRP CN1CCO[C@@H]([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000467748120 992995397 /nfs/dbraw/zinc/99/53/97/992995397.db2.gz XAAQBDCPTWVDNT-DHIUTWEWSA-N 2 0 414.981 3.613 20 0 HHADRP CN1CCO[C@H]([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000467748123 992995481 /nfs/dbraw/zinc/99/54/81/992995481.db2.gz XAAQBDCPTWVDNT-XZOQPEGZSA-N 2 0 414.981 3.613 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000472131191 993183788 /nfs/dbraw/zinc/18/37/88/993183788.db2.gz WIGYOLJELUJWPT-MRXNPFEDSA-N 2 0 406.368 3.825 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000472139884 993194677 /nfs/dbraw/zinc/19/46/77/993194677.db2.gz INQFJEBRIBUGEF-QFIPXVFZSA-N 2 0 417.601 3.963 20 0 HHADRP CN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472291955 993307325 /nfs/dbraw/zinc/30/73/25/993307325.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472293787 993308732 /nfs/dbraw/zinc/30/87/32/993308732.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 2 0 420.601 3.815 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306118 993318331 /nfs/dbraw/zinc/31/83/31/993318331.db2.gz PJDRTUGOZDQTCH-DHIUTWEWSA-N 2 0 424.614 3.845 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472312494 993324021 /nfs/dbraw/zinc/32/40/21/993324021.db2.gz CLRMMNDNYVNLQC-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472387004 993382603 /nfs/dbraw/zinc/38/26/03/993382603.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 2 0 420.601 3.815 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714896 993584302 /nfs/dbraw/zinc/58/43/02/993584302.db2.gz NSSCIPQNQBDOHU-QFIPXVFZSA-N 2 0 422.617 3.512 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cn2)CC1 ZINC000480718904 993586934 /nfs/dbraw/zinc/58/69/34/993586934.db2.gz OPOXTLHKKLCEHM-FQEVSTJZSA-N 2 0 400.954 3.880 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(Br)c21 ZINC000480739014 993605743 /nfs/dbraw/zinc/60/57/43/993605743.db2.gz ROXBQAZCJBFEJT-KXBFYZLASA-N 2 0 415.379 3.934 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(Br)c21 ZINC000480739009 993605938 /nfs/dbraw/zinc/60/59/38/993605938.db2.gz ROXBQAZCJBFEJT-HNAYVOBHSA-N 2 0 415.379 3.934 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000472715545 993639673 /nfs/dbraw/zinc/63/96/73/993639673.db2.gz PXUCHXCAUSYSAA-HSZRJFAPSA-N 2 0 416.610 3.680 20 0 HHADRP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480888708 993748872 /nfs/dbraw/zinc/74/88/72/993748872.db2.gz IVNOTXLLOZVWJL-OAHLLOKOSA-N 2 0 417.351 3.888 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895940 993754380 /nfs/dbraw/zinc/75/43/80/993754380.db2.gz HYVFZGGDXZRELF-JOCHJYFZSA-N 2 0 414.391 3.974 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cnn1-c1ccc(F)cc1 ZINC000480906302 993762198 /nfs/dbraw/zinc/76/21/98/993762198.db2.gz IAEYEYHECBCSCN-LJQANCHMSA-N 2 0 421.564 3.918 20 0 HHADRP CCS[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954588 993795135 /nfs/dbraw/zinc/79/51/35/993795135.db2.gz HGNITLOJGFTNMH-JOCHJYFZSA-N 2 0 403.636 3.683 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000473063209 993983761 /nfs/dbraw/zinc/98/37/61/993983761.db2.gz OLQLCRACWSANCT-HXUWFJFHSA-N 2 0 421.564 3.794 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000481184284 994015420 /nfs/dbraw/zinc/01/54/20/994015420.db2.gz BDOMPGZMFVUHNG-QFUCXCTJSA-N 2 0 422.491 3.945 20 0 HHADRP CCCCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000481248949 994075780 /nfs/dbraw/zinc/07/57/80/994075780.db2.gz FKKGXTXMHVPBNV-LJQANCHMSA-N 2 0 412.578 3.872 20 0 HHADRP Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331581 994151570 /nfs/dbraw/zinc/15/15/70/994151570.db2.gz HLXYNLQBXWXWCZ-RBUKOAKNSA-N 2 0 403.592 3.637 20 0 HHADRP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473298462 994154168 /nfs/dbraw/zinc/15/41/68/994154168.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 2 0 409.549 3.676 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535554 994366158 /nfs/dbraw/zinc/36/61/58/994366158.db2.gz QGIYVQBRNGCEGK-LEWJYISDSA-N 2 0 411.590 3.699 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473558256 994422635 /nfs/dbraw/zinc/42/26/35/994422635.db2.gz ZOZXDLFRIULYLT-UHFFFAOYSA-N 2 0 412.622 3.502 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481664619 994525411 /nfs/dbraw/zinc/52/54/11/994525411.db2.gz GXCHDJJYAHTCRN-IBGZPJMESA-N 2 0 418.950 3.675 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718496 994578969 /nfs/dbraw/zinc/57/89/69/994578969.db2.gz PZDDKWCLEZIIGB-QFQXNSOFSA-N 2 0 422.617 3.802 20 0 HHADRP Cc1ccccc1[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000481897482 994767965 /nfs/dbraw/zinc/76/79/65/994767965.db2.gz LQAFAJFLUWAQPT-HSZRJFAPSA-N 2 0 409.578 3.599 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000473835302 994768818 /nfs/dbraw/zinc/76/88/18/994768818.db2.gz JZEOZHJNRCTYRM-XMMPIXPASA-N 2 0 421.589 3.615 20 0 HHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917059 994788732 /nfs/dbraw/zinc/78/87/32/994788732.db2.gz OSCNMNRZVXQDGM-APWZRJJASA-N 2 0 416.031 3.943 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473962923 994944677 /nfs/dbraw/zinc/94/46/77/994944677.db2.gz HEORZWNXYJKURW-KCZVDYSFSA-N 2 0 400.611 3.563 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000473975041 994958867 /nfs/dbraw/zinc/95/88/67/994958867.db2.gz FDPJUNUFNKLKAJ-MHJFOBGBSA-N 2 0 404.624 3.837 20 0 HHADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121218 995069249 /nfs/dbraw/zinc/06/92/49/995069249.db2.gz QOUXTZURKLHICX-HYBUGGRVSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121213 995069477 /nfs/dbraw/zinc/06/94/77/995069477.db2.gz QOUXTZURKLHICX-GBXCKJPGSA-N 2 0 409.574 3.511 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482239634 995222613 /nfs/dbraw/zinc/22/26/13/995222613.db2.gz BQMPCNQIDFBNDW-INIZCTEOSA-N 2 0 423.586 3.656 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482293373 995272839 /nfs/dbraw/zinc/27/28/39/995272839.db2.gz RYMRGKNNCWDGQS-JWQCQUIFSA-N 2 0 420.601 3.944 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482318734 995296802 /nfs/dbraw/zinc/29/68/02/995296802.db2.gz KTNONESSIZQTIY-LJQANCHMSA-N 2 0 410.400 3.526 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474331758 995313491 /nfs/dbraw/zinc/31/34/91/995313491.db2.gz REIHRDRIJQAPGK-XMMPIXPASA-N 2 0 406.574 3.567 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000474465937 995428252 /nfs/dbraw/zinc/42/82/52/995428252.db2.gz BAKSSMOTSMQNNH-UXHICEINSA-N 2 0 411.590 3.733 20 0 HHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000482535898 995544203 /nfs/dbraw/zinc/54/42/03/995544203.db2.gz PDASGEJWEUOVMC-SJORKVTESA-N 2 0 420.395 3.595 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540428 995548276 /nfs/dbraw/zinc/54/82/76/995548276.db2.gz DGZDKLOEBHLDES-GOEBONIOSA-N 2 0 403.514 3.579 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000482550649 995557770 /nfs/dbraw/zinc/55/77/70/995557770.db2.gz GEXSUGOWUWELIU-MSOLQXFVSA-N 2 0 408.525 3.570 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562125 995568402 /nfs/dbraw/zinc/56/84/02/995568402.db2.gz PLYBLFRSQAIPML-YZGWKJHDSA-N 2 0 411.512 3.909 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000474619171 995570373 /nfs/dbraw/zinc/57/03/73/995570373.db2.gz XTWGMQRWWNZFFE-KDURUIRLSA-N 2 0 408.521 3.910 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587145 995589780 /nfs/dbraw/zinc/58/97/80/995589780.db2.gz XLCYJDGIHWOMAF-ZDXQCDESSA-N 2 0 410.606 3.699 20 0 HHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633340 995627530 /nfs/dbraw/zinc/62/75/30/995627530.db2.gz QHTHYRFSUVYDTR-UPVQGACJSA-N 2 0 411.565 3.880 20 0 HHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643708 995638482 /nfs/dbraw/zinc/63/84/82/995638482.db2.gz QGWQQJPTZHOXKV-VWQFJMCTSA-N 2 0 409.549 3.936 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000474719953 995657568 /nfs/dbraw/zinc/65/75/68/995657568.db2.gz OFNULHVLXKSKBZ-DNVFCKCGSA-N 2 0 409.574 3.674 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815307 995768652 /nfs/dbraw/zinc/76/86/52/995768652.db2.gz NDFIUNBJVZVHMZ-OXQOHEQNSA-N 2 0 417.500 3.836 20 0 HHADRP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816974 995768872 /nfs/dbraw/zinc/76/88/72/995768872.db2.gz CTBBJDUDUHKNNC-JWQCQUIFSA-N 2 0 405.586 3.803 20 0 HHADRP CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475035865 995884948 /nfs/dbraw/zinc/88/49/48/995884948.db2.gz ZSQFUSZGGQAQEE-FGZHOGPDSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120595 995988014 /nfs/dbraw/zinc/98/80/14/995988014.db2.gz OULUTYSIZIYEOD-SFHVURJKSA-N 2 0 405.583 3.595 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475274704 996039320 /nfs/dbraw/zinc/03/93/20/996039320.db2.gz JZEOMWQOIWVWLN-HWELCPFYSA-N 2 0 417.553 3.706 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475274707 996039398 /nfs/dbraw/zinc/03/93/98/996039398.db2.gz JZEOMWQOIWVWLN-ITAUSPCMSA-N 2 0 417.553 3.706 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000475297069 996052738 /nfs/dbraw/zinc/05/27/38/996052738.db2.gz KNSOFWCRNWBWEQ-VWLOTQADSA-N 2 0 420.601 3.564 20 0 HHADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)s1 ZINC000483315822 996094088 /nfs/dbraw/zinc/09/40/88/996094088.db2.gz QAVDHBJKLFIQBM-FUHWJXTLSA-N 2 0 423.648 3.568 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475576648 996228064 /nfs/dbraw/zinc/22/80/64/996228064.db2.gz APZBHDDEZSOOPF-UHFFFAOYSA-N 2 0 424.427 3.840 20 0 HHADRP CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000475639633 996269582 /nfs/dbraw/zinc/26/95/82/996269582.db2.gz CEEKMGFIQRTGPD-UHFFFAOYSA-N 2 0 416.610 3.726 20 0 HHADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000483611916 996285528 /nfs/dbraw/zinc/28/55/28/996285528.db2.gz GSNVDYRBSSJCFI-FQEVSTJZSA-N 2 0 401.599 3.594 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000483614284 996286578 /nfs/dbraw/zinc/28/65/78/996286578.db2.gz IUFWGMQTRGSCCK-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327258 /nfs/dbraw/zinc/32/72/58/996327258.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 2 0 424.585 3.561 20 0 HHADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334949 /nfs/dbraw/zinc/33/49/49/996334949.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 2 0 421.541 3.732 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1C ZINC000483714476 996345429 /nfs/dbraw/zinc/34/54/29/996345429.db2.gz WKBBDTNNNNMMIU-URVUXULASA-N 2 0 416.610 3.736 20 0 HHADRP C[C@H](CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000483715692 996345699 /nfs/dbraw/zinc/34/56/99/996345699.db2.gz XEHOIYSNSPEOQN-WOJBJXKFSA-N 2 0 415.603 3.788 20 0 HHADRP C[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000483715687 996345906 /nfs/dbraw/zinc/34/59/06/996345906.db2.gz XEHOIYSNSPEOQN-PMACEKPBSA-N 2 0 415.603 3.788 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1C ZINC000483715165 996345960 /nfs/dbraw/zinc/34/59/60/996345960.db2.gz WLQJYZRQCPPZBI-YYWHXJBOSA-N 2 0 407.002 3.991 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C[C@@H]1C ZINC000483715967 996346317 /nfs/dbraw/zinc/34/63/17/996346317.db2.gz XXQKKXICNDYPBF-QTEQDKRBSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475801055 996379394 /nfs/dbraw/zinc/37/93/94/996379394.db2.gz ZASOCUORFGDIAV-SFHVURJKSA-N 2 0 401.580 3.690 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483845318 996422930 /nfs/dbraw/zinc/42/29/30/996422930.db2.gz BKBDRUZWRZCLDP-HXUWFJFHSA-N 2 0 402.583 3.747 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483887255 996449745 /nfs/dbraw/zinc/44/97/45/996449745.db2.gz RKFPZFAEIJUXIM-KSEOMHKRSA-N 2 0 410.562 3.626 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935522 996483927 /nfs/dbraw/zinc/48/39/27/996483927.db2.gz VIXIWOSKYFYBIT-YKSBVNFPSA-N 2 0 423.605 3.867 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000483998403 996514023 /nfs/dbraw/zinc/51/40/23/996514023.db2.gz CDIVNCIWVGXFCC-DEOSSOPVSA-N 2 0 421.585 3.503 20 0 HHADRP CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000484028199 996530220 /nfs/dbraw/zinc/53/02/20/996530220.db2.gz UPLQUUJGGZBEQG-UHFFFAOYSA-N 2 0 412.553 3.564 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000476011684 996540193 /nfs/dbraw/zinc/54/01/93/996540193.db2.gz XDHNBJIMEXBBJI-OAQYLSRUSA-N 2 0 404.643 3.937 20 0 HHADRP Cc1cccc([C@H](C)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000484149709 996600703 /nfs/dbraw/zinc/60/07/03/996600703.db2.gz WQMSBAFRWCRAHL-WOJBJXKFSA-N 2 0 417.619 3.679 20 0 HHADRP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484182045 996621318 /nfs/dbraw/zinc/62/13/18/996621318.db2.gz WPIDAQOZQFYVNU-ZDUSSCGKSA-N 2 0 424.408 3.988 20 0 HHADRP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484182761 996621952 /nfs/dbraw/zinc/62/19/52/996621952.db2.gz YLGYZWQTUZODMH-ZDUSSCGKSA-N 2 0 424.408 3.988 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000484273809 996672298 /nfs/dbraw/zinc/67/22/98/996672298.db2.gz CKUAVMUENCUOGP-HNNXBMFYSA-N 2 0 415.500 3.863 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Br)c1 ZINC000484278501 996675101 /nfs/dbraw/zinc/67/51/01/996675101.db2.gz PFJRDVXYSSIRPG-HNNXBMFYSA-N 2 0 410.400 3.726 20 0 HHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCCO2 ZINC000484306042 996692441 /nfs/dbraw/zinc/69/24/41/996692441.db2.gz JGSMPJKEWYMBIR-OAQYLSRUSA-N 2 0 401.595 3.733 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc(OC)c1OC ZINC000484488393 996811475 /nfs/dbraw/zinc/81/14/75/996811475.db2.gz HSOGIFRBEYSNJY-QGZVFWFLSA-N 2 0 414.546 3.520 20 0 HHADRP Cc1nc(-c2ccccc2C)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000476377756 996817200 /nfs/dbraw/zinc/81/72/00/996817200.db2.gz KVEDJYVAARKRBV-UHFFFAOYSA-N 2 0 402.608 3.773 20 0 HHADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493278 996817471 /nfs/dbraw/zinc/81/74/71/996817471.db2.gz BWOSRWMOIDNUNL-FHWLQOOXSA-N 2 0 415.603 3.865 20 0 HHADRP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@H]1CC[N@H+](C)C1)C(C)C ZINC000484497298 996823198 /nfs/dbraw/zinc/82/31/98/996823198.db2.gz JNFNAUFJLMCRNF-SFHVURJKSA-N 2 0 402.608 3.559 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000484501983 996829038 /nfs/dbraw/zinc/82/90/38/996829038.db2.gz NAFAEQZHJUFATI-IBGZPJMESA-N 2 0 407.558 3.621 20 0 HHADRP CN(C(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476722457 997269347 /nfs/dbraw/zinc/26/93/47/997269347.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 2 0 411.512 3.628 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000476874883 997452402 /nfs/dbraw/zinc/45/24/02/997452402.db2.gz SVLOBYOHKXDHRO-QHCPKHFHSA-N 2 0 412.553 3.914 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476876436 997455270 /nfs/dbraw/zinc/45/52/70/997455270.db2.gz YQABAXWLHBTHEZ-DYESRHJHSA-N 2 0 404.986 3.573 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485097705 997473713 /nfs/dbraw/zinc/47/37/13/997473713.db2.gz YVOLXTWAQXKDAS-NHCUHLMSSA-N 2 0 401.595 3.843 20 0 HHADRP COc1ccc(COC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476975040 997594698 /nfs/dbraw/zinc/59/46/98/997594698.db2.gz QMGDHNFBZLOKSI-NZQKXSOJSA-N 2 0 404.595 3.549 20 0 HHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000477085444 997739007 /nfs/dbraw/zinc/73/90/07/997739007.db2.gz OGWUKTUMGTVNNP-UHFFFAOYSA-N 2 0 408.590 3.924 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000485391693 997820325 /nfs/dbraw/zinc/82/03/25/997820325.db2.gz CTGQYPQIGBEQBL-XMMPIXPASA-N 2 0 414.638 3.705 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218148 997891628 /nfs/dbraw/zinc/89/16/28/997891628.db2.gz FXNVLSMUNWVVQS-ILBGXUMGSA-N 2 0 421.585 3.828 20 0 HHADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477440114 998138486 /nfs/dbraw/zinc/13/84/86/998138486.db2.gz QSVJWCFGBIOTNI-OXJNMPFZSA-N 2 0 416.006 3.663 20 0 HHADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000477968281 998688785 /nfs/dbraw/zinc/68/87/85/998688785.db2.gz QTFXVQVMJVXBOM-UGKGYDQZSA-N 2 0 400.567 3.642 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000487031356 999042462 /nfs/dbraw/zinc/04/24/62/999042462.db2.gz TXBNKCKLMIGKGV-HSZRJFAPSA-N 2 0 423.626 3.530 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060775 999050996 /nfs/dbraw/zinc/05/09/96/999050996.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 2 0 408.590 3.717 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487061358 999051134 /nfs/dbraw/zinc/05/11/34/999051134.db2.gz DAZBASDFJPKKLT-RXVVDRJESA-N 2 0 412.553 3.597 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000478791386 999142624 /nfs/dbraw/zinc/14/26/24/999142624.db2.gz DJGSAJDEQWJWAT-REWPJTCUSA-N 2 0 424.589 3.604 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830374 999164239 /nfs/dbraw/zinc/16/42/39/999164239.db2.gz KHKKYOGSWAONNX-KNQAVFIVSA-N 2 0 412.578 3.715 20 0 HHADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000487722173 999265910 /nfs/dbraw/zinc/26/59/10/999265910.db2.gz FGZMBCCRTWSVSE-JOCHJYFZSA-N 2 0 414.981 3.803 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479074097 999281422 /nfs/dbraw/zinc/28/14/22/999281422.db2.gz YYGDKPWSGLUHPI-FQEVSTJZSA-N 2 0 412.391 3.903 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479281982 999363408 /nfs/dbraw/zinc/36/34/08/999363408.db2.gz KGQXVNTXWDSZBB-DUXKGJEZSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000479294869 999370364 /nfs/dbraw/zinc/37/03/64/999370364.db2.gz UPBJGDJHVXTWNP-LAUBAEHRSA-N 2 0 402.380 3.764 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000479330820 999388703 /nfs/dbraw/zinc/38/87/03/999388703.db2.gz MKZLIAXWHUXYOX-IBGZPJMESA-N 2 0 415.603 3.788 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000479332859 999390076 /nfs/dbraw/zinc/39/00/76/999390076.db2.gz VENXMAISJARWQX-IBGZPJMESA-N 2 0 415.603 3.788 20 0 HHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000479342500 999394779 /nfs/dbraw/zinc/39/47/79/999394779.db2.gz HTMCWDDBNJGSKY-VWLOTQADSA-N 2 0 415.585 3.910 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000479344640 999395457 /nfs/dbraw/zinc/39/54/57/999395457.db2.gz FZDJBKBQPIDQNC-NZQKXSOJSA-N 2 0 400.611 3.933 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1 ZINC000479346745 999396293 /nfs/dbraw/zinc/39/62/93/999396293.db2.gz GYNJOFASQOEIOR-SFHVURJKSA-N 2 0 403.592 3.643 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478534 999434849 /nfs/dbraw/zinc/43/48/49/999434849.db2.gz NKIZRSBLBKBERQ-ACAXCVFMSA-N 2 0 405.549 3.518 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459701 999492979 /nfs/dbraw/zinc/49/29/79/999492979.db2.gz LSQMJNCSWBNXGG-DHLKQENFSA-N 2 0 424.589 3.970 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527800 999518521 /nfs/dbraw/zinc/51/85/21/999518521.db2.gz DUTHNFSOQCZBQT-HYBUGGRVSA-N 2 0 408.590 3.848 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000488545787 999523447 /nfs/dbraw/zinc/52/34/47/999523447.db2.gz JTCHPCJADAPCJY-URXFXBBRSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963852 999659008 /nfs/dbraw/zinc/65/90/08/999659008.db2.gz XGBGACJKKHJVPQ-PBJYZGJWSA-N 2 0 410.606 3.554 20 0 HHADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000480023970 999691177 /nfs/dbraw/zinc/69/11/77/999691177.db2.gz TZSJOKCWQZTNBG-UHFFFAOYSA-N 2 0 424.520 3.650 20 0 HHADRP CCCC[NH+]1CCC(Nc2nc(C)nc(NC3CC[NH+](CCCC)CC3)n2)CC1 ZINC000480093457 999715271 /nfs/dbraw/zinc/71/52/71/999715271.db2.gz JGOJHVDJGVILOT-UHFFFAOYSA-N 2 0 403.619 3.533 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249962 999730250 /nfs/dbraw/zinc/73/02/50/999730250.db2.gz PGJNHADIFJPMGQ-XLIONFOSSA-N 2 0 418.607 3.982 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000480165064 999734732 /nfs/dbraw/zinc/73/47/32/999734732.db2.gz HPHXKPQMDANXJK-QHCPKHFHSA-N 2 0 409.574 3.990 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489337606 999748415 /nfs/dbraw/zinc/74/84/15/999748415.db2.gz LZMSMXWIMZXRDI-FQEVSTJZSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489337610 999748470 /nfs/dbraw/zinc/74/84/70/999748470.db2.gz LZMSMXWIMZXRDI-HXUWFJFHSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244048 999754957 /nfs/dbraw/zinc/75/49/57/999754957.db2.gz UMVGYELZCYGFHA-ZCNNSNEGSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480267571 999759654 /nfs/dbraw/zinc/75/96/54/999759654.db2.gz RGAAYUNNNFWJSU-KKSFZXQISA-N 2 0 421.632 3.780 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1S(C)(=O)=O ZINC000480269424 999760127 /nfs/dbraw/zinc/76/01/27/999760127.db2.gz WFRVUMGMOOHQDG-KRWDZBQOSA-N 2 0 402.560 3.545 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441932 999768173 /nfs/dbraw/zinc/76/81/73/999768173.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000489444494 999768827 /nfs/dbraw/zinc/76/88/27/999768827.db2.gz XXVWJKIAQYDEGM-SXSPYAJSSA-N 2 0 412.553 3.638 20 0 HHADRP c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000489458331 999771666 /nfs/dbraw/zinc/77/16/66/999771666.db2.gz QVMDMOBJOLKAST-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)c(F)c1 ZINC000489498027 999778764 /nfs/dbraw/zinc/77/87/64/999778764.db2.gz OCSNWKWWEHBIPW-AWEZNQCLSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000489527553 999784609 /nfs/dbraw/zinc/78/46/09/999784609.db2.gz QIIYDAQOXPRLPG-YZGWKJHDSA-N 2 0 400.592 3.561 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387203 999786642 /nfs/dbraw/zinc/78/66/42/999786642.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 2 0 408.586 3.878 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788261 /nfs/dbraw/zinc/78/82/61/999788261.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 2 0 408.586 3.878 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581255 999796747 /nfs/dbraw/zinc/79/67/47/999796747.db2.gz GFQPGMXVVDDOBH-WZONZLPQSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581249 999796877 /nfs/dbraw/zinc/79/68/77/999796877.db2.gz GFQPGMXVVDDOBH-FDDCHVKYSA-N 2 0 412.553 3.597 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1S(C)(=O)=O ZINC000480434811 999798271 /nfs/dbraw/zinc/79/82/71/999798271.db2.gz IOHMWDAGBBZYAO-GOSISDBHSA-N 2 0 416.587 3.935 20 0 HHADRP C[C@H](O)[C@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000480444333 999800433 /nfs/dbraw/zinc/80/04/33/999800433.db2.gz LRJSWCJQEFVMTQ-LVXARBLLSA-N 2 0 409.618 3.936 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616795 999803627 /nfs/dbraw/zinc/80/36/27/999803627.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 2 0 408.590 3.717 20 0 HHADRP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636286 999807411 /nfs/dbraw/zinc/80/74/11/999807411.db2.gz SPBHRRAWKLCTDL-QFIPXVFZSA-N 2 0 407.602 3.886 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000480542792 999822504 /nfs/dbraw/zinc/82/25/04/999822504.db2.gz UCCARTVHAVADAL-VGSWGCGISA-N 2 0 404.002 3.757 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480622554 999843323 /nfs/dbraw/zinc/84/33/23/999843323.db2.gz VOTCSUAINFPGTA-FXAWDEMLSA-N 2 0 414.619 3.812 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480624503 999844080 /nfs/dbraw/zinc/84/40/80/999844080.db2.gz YZXHRBDPXMFTTH-OALUTQOASA-N 2 0 415.603 3.677 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccs1 ZINC000490006307 999876431 /nfs/dbraw/zinc/87/64/31/999876431.db2.gz MAJQZFMXSSOWFR-FQEVSTJZSA-N 2 0 400.592 3.657 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000490088284 999891292 /nfs/dbraw/zinc/89/12/92/999891292.db2.gz LAHZFEUWHXIBSN-ZEQRLZLVSA-N 2 0 422.573 3.534 20 0 HHADRP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490799785 1000007935 /nfs/dbraw/zinc/00/79/35/1000007935.db2.gz SSEXTNNZIQRTGR-SIKLNZKXSA-N 2 0 400.526 3.888 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952140 1000026564 /nfs/dbraw/zinc/02/65/64/1000026564.db2.gz QHGVYVZBISOJKS-RBUKOAKNSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993365 1000031550 /nfs/dbraw/zinc/03/15/50/1000031550.db2.gz GJFDWGJYCFBTSE-OFVILXPXSA-N 2 0 420.601 3.640 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000491016658 1000034106 /nfs/dbraw/zinc/03/41/06/1000034106.db2.gz DASYKGICFQADJU-IIBYNOLFSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491020890 1000034687 /nfs/dbraw/zinc/03/46/87/1000034687.db2.gz NNGWDWHLCYNKGG-HRAATJIYSA-N 2 0 420.370 3.903 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491062448 1000041310 /nfs/dbraw/zinc/04/13/10/1000041310.db2.gz WGMNRCNBILLZDG-OAQYLSRUSA-N 2 0 406.979 3.764 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515516 1000130406 /nfs/dbraw/zinc/13/04/06/1000130406.db2.gz NYFFMPQZMVMJKG-PFATUAPWSA-N 2 0 422.617 3.850 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000492659629 1000137359 /nfs/dbraw/zinc/13/73/59/1000137359.db2.gz MUWHQMPCRUEVJU-HXUWFJFHSA-N 2 0 418.585 3.991 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011899 1000154218 /nfs/dbraw/zinc/15/42/18/1000154218.db2.gz WNAZZQJSFHJEFA-HSZRJFAPSA-N 2 0 419.972 3.548 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493499808 1000176304 /nfs/dbraw/zinc/17/63/04/1000176304.db2.gz HAXANSPIZISYHJ-JWQCQUIFSA-N 2 0 405.586 3.900 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000494005338 1000263681 /nfs/dbraw/zinc/26/36/81/1000263681.db2.gz XZPHHLWLIGIRIZ-OAQYLSRUSA-N 2 0 400.567 3.704 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504868682 1000414877 /nfs/dbraw/zinc/41/48/77/1000414877.db2.gz HRQXXLXWBCCCOK-FQEVSTJZSA-N 2 0 424.589 3.976 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504924405 1000451350 /nfs/dbraw/zinc/45/13/50/1000451350.db2.gz MIMZXKWEZGVUQQ-XMMPIXPASA-N 2 0 408.590 3.992 20 0 HHADRP C[NH+](C)CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000494415470 1000481131 /nfs/dbraw/zinc/48/11/31/1000481131.db2.gz YPNSMGXABNNBIS-UHFFFAOYSA-N 2 0 414.594 3.952 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)cc2)CC1 ZINC000505135141 1000569066 /nfs/dbraw/zinc/56/90/66/1000569066.db2.gz RLIQAYPWCNODLP-UHFFFAOYSA-N 2 0 412.622 3.601 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000494617832 1000576388 /nfs/dbraw/zinc/57/63/88/1000576388.db2.gz CDMMISQSHYUOPG-CYBMUJFWSA-N 2 0 410.381 3.653 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(Cl)cs2)CC1)Cc1ccccc1 ZINC000494982361 1000762239 /nfs/dbraw/zinc/76/22/39/1000762239.db2.gz XHXHFVQVFWVVJE-UHFFFAOYSA-N 2 0 405.995 3.862 20 0 HHADRP O=C(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000505464647 1000792261 /nfs/dbraw/zinc/79/22/61/1000792261.db2.gz MOYOUVRVEZSNBV-UHFFFAOYSA-N 2 0 409.496 3.807 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000495184255 1000905889 /nfs/dbraw/zinc/90/58/89/1000905889.db2.gz OOPJBCIPZYZWQI-GOSISDBHSA-N 2 0 416.591 3.722 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000505761458 1001010557 /nfs/dbraw/zinc/01/05/57/1001010557.db2.gz HAPAMEHLFOMFPR-DHLKQENFSA-N 2 0 422.573 3.724 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434208 1001011417 /nfs/dbraw/zinc/01/14/17/1001011417.db2.gz QRNOZASETIEKPM-WFXMLNOXSA-N 2 0 401.576 3.619 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495445428 1001014715 /nfs/dbraw/zinc/01/47/15/1001014715.db2.gz VHIIMVHOCRQRID-GCJKJVERSA-N 2 0 419.013 3.820 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785416 1001022634 /nfs/dbraw/zinc/02/26/34/1001022634.db2.gz UMRBKKHITKLUCN-INIZCTEOSA-N 2 0 406.621 3.668 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CSc1cc(Cl)ccc1Cl ZINC000495831805 1001083147 /nfs/dbraw/zinc/08/31/47/1001083147.db2.gz JOMXSZYOAWHJKM-UHFFFAOYSA-N 2 0 404.407 3.570 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000496249185 1001147266 /nfs/dbraw/zinc/14/72/66/1001147266.db2.gz YUVUGWHYYRTWFI-GBXCKJPGSA-N 2 0 424.589 3.652 20 0 HHADRP O=C(c1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1)N1CCCCC1 ZINC000506033126 1001178570 /nfs/dbraw/zinc/17/85/70/1001178570.db2.gz VHGZQKMATTYIKP-UHFFFAOYSA-N 2 0 413.606 3.637 20 0 HHADRP Fc1ccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)co2)cc1F ZINC000506051344 1001192241 /nfs/dbraw/zinc/19/22/41/1001192241.db2.gz JQJOCSUWGYKOED-UHFFFAOYSA-N 2 0 405.489 3.944 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497310199 1001288521 /nfs/dbraw/zinc/28/85/21/1001288521.db2.gz ISJTYPZSIHVYHH-LJQANCHMSA-N 2 0 422.573 3.539 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473544 1001385375 /nfs/dbraw/zinc/38/53/75/1001385375.db2.gz UFVCDBGNICMZDF-AHRSYUTCSA-N 2 0 424.511 3.548 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562297 1001436465 /nfs/dbraw/zinc/43/64/65/1001436465.db2.gz YFPGZAASGRKQJZ-OAQYLSRUSA-N 2 0 412.622 3.947 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562123 1001436507 /nfs/dbraw/zinc/43/65/07/1001436507.db2.gz UTBGJDYIIWOUHZ-HSZRJFAPSA-N 2 0 412.622 3.505 20 0 HHADRP CS[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1[NH+](C)C ZINC000497656993 1001474727 /nfs/dbraw/zinc/47/47/27/1001474727.db2.gz KLSXOLUGDMSCJK-RTWAWAEBSA-N 2 0 404.624 3.960 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476522 /nfs/dbraw/zinc/47/65/22/1001476522.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 2 0 412.622 3.585 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476617 /nfs/dbraw/zinc/47/66/17/1001476617.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 2 0 412.622 3.585 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497826627 1001526729 /nfs/dbraw/zinc/52/67/29/1001526729.db2.gz VPGFFNMHAUWEJQ-OAQYLSRUSA-N 2 0 420.395 3.995 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022096 1001608987 /nfs/dbraw/zinc/60/89/87/1001608987.db2.gz CVAUQBPTLKHQJK-HFSMHLIXSA-N 2 0 418.582 3.872 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121462 1001650529 /nfs/dbraw/zinc/65/05/29/1001650529.db2.gz QOFXOPFBGVZHPM-KWOQKUFVSA-N 2 0 424.589 3.508 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[NH+](C)C)c1 ZINC000506953765 1001726518 /nfs/dbraw/zinc/72/65/18/1001726518.db2.gz QEJJKUYJBQYHSO-QTEQDKRBSA-N 2 0 416.610 3.594 20 0 HHADRP Fc1ccc(C2=CC[C@@H]([NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000498433218 1001863235 /nfs/dbraw/zinc/86/32/35/1001863235.db2.gz LGWONZCOGKZRSR-HSZRJFAPSA-N 2 0 409.553 3.744 20 0 HHADRP Cc1cccc(C2(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CCCCC2)c1 ZINC000498529995 1001950974 /nfs/dbraw/zinc/95/09/74/1001950974.db2.gz QPHIVXBJRFMRGL-UHFFFAOYSA-N 2 0 420.601 3.920 20 0 HHADRP CC(C)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000498530702 1001951832 /nfs/dbraw/zinc/95/18/32/1001951832.db2.gz WSJLHKWDMRLNBK-UHFFFAOYSA-N 2 0 417.557 3.695 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618106 1002018473 /nfs/dbraw/zinc/01/84/73/1002018473.db2.gz MBWNPKBSVCRBNA-XZOQPEGZSA-N 2 0 407.558 3.613 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618105 1002018633 /nfs/dbraw/zinc/01/86/33/1002018633.db2.gz MBWNPKBSVCRBNA-PKTZIBPZSA-N 2 0 407.558 3.613 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706348 1002090348 /nfs/dbraw/zinc/09/03/48/1002090348.db2.gz FYAOSHLRGVIBLD-UNMCSNQZSA-N 2 0 424.589 3.796 20 0 HHADRP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CC[NH+](C)CC2)c1 ZINC000498795051 1002180562 /nfs/dbraw/zinc/18/05/62/1002180562.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 2 0 417.597 3.977 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893777 1002282979 /nfs/dbraw/zinc/28/29/79/1002282979.db2.gz JYEFFJSOMZDNSU-KWOQKUFVSA-N 2 0 424.589 3.650 20 0 HHADRP CCOc1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)nn1CC(C)C ZINC000507692584 1002284807 /nfs/dbraw/zinc/28/48/07/1002284807.db2.gz CMLFMMGAFZECKM-UHFFFAOYSA-N 2 0 406.615 3.571 20 0 HHADRP c1ccc(COc2ccccc2C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000507699496 1002291482 /nfs/dbraw/zinc/29/14/82/1002291482.db2.gz SLBCLULXSUHUBP-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(n2cc(Cl)cn2)CC1)C1CC[NH+](C)CC1 ZINC000507708151 1002298590 /nfs/dbraw/zinc/29/85/90/1002298590.db2.gz MCXSHZPUWHHIAS-UHFFFAOYSA-N 2 0 401.986 3.904 20 0 HHADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000498917370 1002312868 /nfs/dbraw/zinc/31/28/68/1002312868.db2.gz GOYWPTYWUMZXQA-OAHLLOKOSA-N 2 0 415.500 3.667 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCSc2ccccc2F)CC1 ZINC000507915799 1002449883 /nfs/dbraw/zinc/44/98/83/1002449883.db2.gz WCSSPRRBPGHGHZ-UHFFFAOYSA-N 2 0 407.599 3.622 20 0 HHADRP Fc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153066 1002536820 /nfs/dbraw/zinc/53/68/20/1002536820.db2.gz QQFWESJJDOQJAU-SSUZURRFSA-N 2 0 423.576 3.984 20 0 HHADRP c1ccc(CN2CCO[C@H](C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155019 1002538843 /nfs/dbraw/zinc/53/88/43/1002538843.db2.gz GGXINKXOSITPMG-XDZVQPMWSA-N 2 0 405.586 3.673 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162180 1002547973 /nfs/dbraw/zinc/54/79/73/1002547973.db2.gz AHROVFHJUIEVHO-FXSWLTOZSA-N 2 0 405.586 3.845 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)C1 ZINC000508047658 1002569790 /nfs/dbraw/zinc/56/97/90/1002569790.db2.gz AXRRHQCQXJDAMT-WOJBJXKFSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000508603416 1003058651 /nfs/dbraw/zinc/05/86/51/1003058651.db2.gz IORPLBVYCBAAJR-PMACEKPBSA-N 2 0 403.636 3.723 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499738277 1003083624 /nfs/dbraw/zinc/08/36/24/1003083624.db2.gz ZKZFSZZURAUZKR-SGRGSNTQSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H](Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714166 1003153742 /nfs/dbraw/zinc/15/37/42/1003153742.db2.gz UZXWIKYPWGYNNZ-NKKJXINNSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@H](Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508714169 1003154098 /nfs/dbraw/zinc/15/40/98/1003154098.db2.gz UZXWIKYPWGYNNZ-ZTCOLXNVSA-N 2 0 420.601 3.706 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722064 1003163069 /nfs/dbraw/zinc/16/30/69/1003163069.db2.gz WQANDVKOUVANGP-HRNNMHKYSA-N 2 0 407.602 3.869 20 0 HHADRP Cc1c2cc(F)ccc2sc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500011259 1003335783 /nfs/dbraw/zinc/33/57/83/1003335783.db2.gz AGMIKIUNPGQYAS-UHFFFAOYSA-N 2 0 412.534 3.686 20 0 HHADRP CC(C)c1ccc(SCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000500011954 1003337971 /nfs/dbraw/zinc/33/79/71/1003337971.db2.gz BWUAQCCDVAQYTD-UHFFFAOYSA-N 2 0 412.603 3.626 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906764 1003344477 /nfs/dbraw/zinc/34/44/77/1003344477.db2.gz OHENNLFGMQDVDK-NNXSRULWSA-N 2 0 400.611 3.974 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000500100892 1003463252 /nfs/dbraw/zinc/46/32/52/1003463252.db2.gz VYPANSMQMXYPIY-XMMPIXPASA-N 2 0 406.574 3.919 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000500103202 1003465191 /nfs/dbraw/zinc/46/51/91/1003465191.db2.gz BBMHKGITGJTMKC-FQEVSTJZSA-N 2 0 401.599 3.515 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000500103203 1003465397 /nfs/dbraw/zinc/46/53/97/1003465397.db2.gz BBMHKGITGJTMKC-HXUWFJFHSA-N 2 0 401.599 3.515 20 0 HHADRP CC[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000500104578 1003466465 /nfs/dbraw/zinc/46/64/65/1003466465.db2.gz PLWPSLHEPUGWRX-RUZDIDTESA-N 2 0 420.601 3.919 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000500110242 1003472439 /nfs/dbraw/zinc/47/24/39/1003472439.db2.gz KBMLTHCXWAFDBY-FQEVSTJZSA-N 2 0 401.599 3.515 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000500116031 1003477626 /nfs/dbraw/zinc/47/76/26/1003477626.db2.gz BBZITPNEROHOLS-UHFFFAOYSA-N 2 0 424.614 3.619 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000500164722 1003518241 /nfs/dbraw/zinc/51/82/41/1003518241.db2.gz URTMXWVEIRKQGW-HXUWFJFHSA-N 2 0 408.590 3.774 20 0 HHADRP C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000500188858 1003535467 /nfs/dbraw/zinc/53/54/67/1003535467.db2.gz WTIHZMBBLNKTJJ-AREMUKBSSA-N 2 0 405.586 3.952 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231492 1003641156 /nfs/dbraw/zinc/64/11/56/1003641156.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 2 0 411.512 3.678 20 0 HHADRP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000509277951 1003675060 /nfs/dbraw/zinc/67/50/60/1003675060.db2.gz DAODINPZDZASNO-LJQANCHMSA-N 2 0 422.411 3.835 20 0 HHADRP O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509338229 1003715444 /nfs/dbraw/zinc/71/54/44/1003715444.db2.gz PRXRBSNXWWJMCR-JOCHJYFZSA-N 2 0 423.523 3.918 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000500719372 1003919087 /nfs/dbraw/zinc/91/90/87/1003919087.db2.gz LYAWUQCWSCDTOH-UHFFFAOYSA-N 2 0 420.601 3.957 20 0 HHADRP Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000512009229 1003950915 /nfs/dbraw/zinc/95/09/15/1003950915.db2.gz SKIJWRIOHUVSIA-KGLIPLIRSA-N 2 0 404.418 3.562 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000500794624 1003961106 /nfs/dbraw/zinc/96/11/06/1003961106.db2.gz VDILFVCXQCZIPZ-QFIPXVFZSA-N 2 0 416.610 3.596 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000500803581 1003967408 /nfs/dbraw/zinc/96/74/08/1003967408.db2.gz HQAIGUHGUPHPJG-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP COc1cc2c(cc1OC)CC[NH+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000512051719 1003983230 /nfs/dbraw/zinc/98/32/30/1003983230.db2.gz IXPITBONTPYLJY-UHFFFAOYSA-N 2 0 423.601 3.835 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102871 1004025201 /nfs/dbraw/zinc/02/52/01/1004025201.db2.gz ABFRLWOFGMKSTI-YMPZKCBVSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155934 1004064327 /nfs/dbraw/zinc/06/43/27/1004064327.db2.gz LGEULARJFZARGR-YADHBBJMSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177013 1004079422 /nfs/dbraw/zinc/07/94/22/1004079422.db2.gz BXDWWDDUJCTJKK-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509777152 1004088769 /nfs/dbraw/zinc/08/87/69/1004088769.db2.gz LVKUHBJCFUYUGY-YKSBVNFPSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000509778329 1004089263 /nfs/dbraw/zinc/08/92/63/1004089263.db2.gz QNCSEFUAKOMLME-AZUAARDMSA-N 2 0 400.611 3.896 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188417 1004089877 /nfs/dbraw/zinc/08/98/77/1004089877.db2.gz YIAHCEXIYJFNKK-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189869 1004091276 /nfs/dbraw/zinc/09/12/76/1004091276.db2.gz QBTYRHQVFSLGHN-DHIUTWEWSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000512195899 1004096654 /nfs/dbraw/zinc/09/66/54/1004096654.db2.gz OHGVIBPGUTUXDJ-DDOAZUFRSA-N 2 0 410.650 3.804 20 0 HHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512197135 1004098387 /nfs/dbraw/zinc/09/83/87/1004098387.db2.gz SJWRWXFIPBEAGZ-WOJBJXKFSA-N 2 0 410.606 3.869 20 0 HHADRP C[C@@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028471 1004132472 /nfs/dbraw/zinc/13/24/72/1004132472.db2.gz YXMMOPVMDJJSFD-QGZVFWFLSA-N 2 0 400.954 3.761 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247722 1004150371 /nfs/dbraw/zinc/15/03/71/1004150371.db2.gz AEHLCJOOMJCLCV-SFHVURJKSA-N 2 0 407.574 3.625 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000501049253 1004150646 /nfs/dbraw/zinc/15/06/46/1004150646.db2.gz ALYZPQZMXRXUPH-OAQYLSRUSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063327 1004165194 /nfs/dbraw/zinc/16/51/94/1004165194.db2.gz NZSLAEJECDMWNW-QGZVFWFLSA-N 2 0 400.954 3.588 20 0 HHADRP COC(=O)c1ccc(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000501068120 1004170090 /nfs/dbraw/zinc/17/00/90/1004170090.db2.gz KYZIZOCIIKMRLG-UHFFFAOYSA-N 2 0 417.937 3.749 20 0 HHADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512290035 1004193132 /nfs/dbraw/zinc/19/31/32/1004193132.db2.gz WXOASUWNOCCANH-OEMFJLHTSA-N 2 0 412.599 3.871 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089375 1004195461 /nfs/dbraw/zinc/19/54/61/1004195461.db2.gz QHYZYTJKMVOITM-UWGQAIRJSA-N 2 0 422.976 3.740 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510025857 1004273946 /nfs/dbraw/zinc/27/39/46/1004273946.db2.gz MDHMAYSVXCOAGX-JOCHJYFZSA-N 2 0 410.562 3.689 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000510042505 1004285053 /nfs/dbraw/zinc/28/50/53/1004285053.db2.gz HAKLXABMLLTBAX-PMACEKPBSA-N 2 0 414.550 3.763 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512424838 1004290990 /nfs/dbraw/zinc/29/09/90/1004290990.db2.gz URXXLTYARIKWTK-GMKZXUHWSA-N 2 0 412.622 3.947 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000512429941 1004296814 /nfs/dbraw/zinc/29/68/14/1004296814.db2.gz KTSZKRBHUJYQAO-RLBLXZPPSA-N 2 0 400.611 3.801 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000501241558 1004306825 /nfs/dbraw/zinc/30/68/25/1004306825.db2.gz CCXDFTOUJXKNOW-UHFFFAOYSA-N 2 0 414.619 3.660 20 0 HHADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487085 1004337538 /nfs/dbraw/zinc/33/75/38/1004337538.db2.gz PXUNBVCGZAGZMP-IRLDBZIGSA-N 2 0 414.638 3.734 20 0 HHADRP CC[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501357179 1004364746 /nfs/dbraw/zinc/36/47/46/1004364746.db2.gz JNDKOVUHKMYTCQ-DHIUTWEWSA-N 2 0 412.553 3.565 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCC1 ZINC000501388988 1004385033 /nfs/dbraw/zinc/38/50/33/1004385033.db2.gz PRCXBPKJWDIZCC-VXKWHMMOSA-N 2 0 416.610 3.642 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501393197 1004388261 /nfs/dbraw/zinc/38/82/61/1004388261.db2.gz PDADTNJXFYERAH-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621628 1004435324 /nfs/dbraw/zinc/43/53/24/1004435324.db2.gz ZXMBMPZFAXLRMX-UNWVZKJWSA-N 2 0 411.977 3.960 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)C1 ZINC000501472915 1004447070 /nfs/dbraw/zinc/44/70/70/1004447070.db2.gz FYSABNPBIQHLFW-JRFVFWCSSA-N 2 0 406.574 3.595 20 0 HHADRP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512635487 1004447809 /nfs/dbraw/zinc/44/78/09/1004447809.db2.gz HNGKNKZEDFDBQV-ICDZXHCJSA-N 2 0 403.570 3.969 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640964 1004452803 /nfs/dbraw/zinc/45/28/03/1004452803.db2.gz BWOQNIMLNJZGQE-OJGLOBPSSA-N 2 0 411.634 3.645 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000512660376 1004471091 /nfs/dbraw/zinc/47/10/91/1004471091.db2.gz MMXMTQDTWSAZBU-IMDYLNKJSA-N 2 0 411.634 3.842 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)N1CC[NH+](C)CC1 ZINC000512666635 1004477294 /nfs/dbraw/zinc/47/72/94/1004477294.db2.gz LTLFXXGAAWATHX-YDLRUIKNSA-N 2 0 411.634 3.842 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000501602510 1004545319 /nfs/dbraw/zinc/54/53/19/1004545319.db2.gz NDXJPYNVTFZELL-HSZRJFAPSA-N 2 0 416.610 3.786 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510410361 1004546981 /nfs/dbraw/zinc/54/69/81/1004546981.db2.gz GDFCSLLHGIFADU-PMACEKPBSA-N 2 0 404.558 3.986 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000512769161 1004548755 /nfs/dbraw/zinc/54/87/55/1004548755.db2.gz POBMPQHDHNEDOR-UHFFFAOYSA-N 2 0 416.997 3.804 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCCCO4)CC2)c1 ZINC000512811116 1004572880 /nfs/dbraw/zinc/57/28/80/1004572880.db2.gz ZUVKCGYQHRGCFJ-UHFFFAOYSA-N 2 0 409.574 3.848 20 0 HHADRP c1nn([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448124 1004573638 /nfs/dbraw/zinc/57/36/38/1004573638.db2.gz ZNICQQPPKLWBGO-DHIUTWEWSA-N 2 0 414.557 3.970 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836680 1004595851 /nfs/dbraw/zinc/59/58/51/1004595851.db2.gz AWDGEPZWPXYFMY-RBUKOAKNSA-N 2 0 402.583 3.710 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510508903 1004630980 /nfs/dbraw/zinc/63/09/80/1004630980.db2.gz CBJFQOUTLFNYKQ-FPOVZHCZSA-N 2 0 400.611 3.979 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000512901057 1004670387 /nfs/dbraw/zinc/67/03/87/1004670387.db2.gz GWEYHIRMQWSVMK-QFIPXVFZSA-N 2 0 404.599 3.592 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000512907512 1004675745 /nfs/dbraw/zinc/67/57/45/1004675745.db2.gz REUVELIYBGNZTR-QHCPKHFHSA-N 2 0 418.626 3.840 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000510547578 1004682515 /nfs/dbraw/zinc/68/25/15/1004682515.db2.gz OZFIVTXNBXJLDU-XXBNENTESA-N 2 0 411.615 3.965 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000501773008 1004711987 /nfs/dbraw/zinc/71/19/87/1004711987.db2.gz JODMURWHTHAVJA-UHFFFAOYSA-N 2 0 400.394 3.706 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000501777970 1004716547 /nfs/dbraw/zinc/71/65/47/1004716547.db2.gz RKMMDXJYMQAXRT-UHFFFAOYSA-N 2 0 414.363 3.971 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501777996 1004718156 /nfs/dbraw/zinc/71/81/56/1004718156.db2.gz RPFIAMQHPHXMBA-LJQANCHMSA-N 2 0 416.610 3.549 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000501784235 1004725018 /nfs/dbraw/zinc/72/50/18/1004725018.db2.gz DGVDZVFAWFZZTI-UHFFFAOYSA-N 2 0 415.622 3.883 20 0 HHADRP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785187 1004726201 /nfs/dbraw/zinc/72/62/01/1004726201.db2.gz KNTAXPSAIDASKD-KRWDZBQOSA-N 2 0 402.608 3.697 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580458 1004727416 /nfs/dbraw/zinc/72/74/16/1004727416.db2.gz OJGZWJWLIXVRFJ-OFNKIYASSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510595650 1004741773 /nfs/dbraw/zinc/74/17/73/1004741773.db2.gz GQSAZKBNZVSIED-MPLDGMKMSA-N 2 0 404.643 3.982 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501800214 1004742582 /nfs/dbraw/zinc/74/25/82/1004742582.db2.gz CDEJVAFHUBVHSI-FGZHOGPDSA-N 2 0 410.562 3.943 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000510649213 1004778002 /nfs/dbraw/zinc/77/80/02/1004778002.db2.gz XAXCHDZNDRWHCA-UHFFFAOYSA-N 2 0 401.554 3.900 20 0 HHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510666206 1004788331 /nfs/dbraw/zinc/78/83/31/1004788331.db2.gz DGYPZNCPERXQDD-FXAWDEMLSA-N 2 0 415.528 3.773 20 0 HHADRP c1ccc(C(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000510764951 1004839077 /nfs/dbraw/zinc/83/90/77/1004839077.db2.gz NNJXACXOFIBBFT-UHFFFAOYSA-N 2 0 415.585 3.801 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510822135 1004874631 /nfs/dbraw/zinc/87/46/31/1004874631.db2.gz SQRSJJZKABCRIT-QHCPKHFHSA-N 2 0 408.590 3.848 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)c3oc4ccccc4c3C[NH+](C)C)CCCC2)CC1 ZINC000510848869 1004890305 /nfs/dbraw/zinc/89/03/05/1004890305.db2.gz BXPSGYLAFSFWJO-UHFFFAOYSA-N 2 0 413.562 3.648 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874932 1004905017 /nfs/dbraw/zinc/90/50/17/1004905017.db2.gz RQMZFOHEGIXRLE-PELRDEGISA-N 2 0 422.013 3.856 20 0 HHADRP O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000513417825 1004955581 /nfs/dbraw/zinc/95/55/81/1004955581.db2.gz ANGWXUUJLMRMBI-UHFFFAOYSA-N 2 0 414.553 3.620 20 0 HHADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000510999731 1004973719 /nfs/dbraw/zinc/97/37/19/1004973719.db2.gz NQGVUDIIEFOPFZ-TWDDROGUSA-N 2 0 404.558 3.793 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000511003560 1004975552 /nfs/dbraw/zinc/97/55/52/1004975552.db2.gz YHAQXVMDLJZFGI-RTBURBONSA-N 2 0 422.573 3.994 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000513509564 1004997049 /nfs/dbraw/zinc/99/70/49/1004997049.db2.gz SWAIECVAXMUXHJ-GHTZIAJQSA-N 2 0 413.566 3.591 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000513509565 1004997215 /nfs/dbraw/zinc/99/72/15/1004997215.db2.gz SWAIECVAXMUXHJ-NQIIRXRSSA-N 2 0 413.566 3.591 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513526781 1005005946 /nfs/dbraw/zinc/00/59/46/1005005946.db2.gz QDULIOYSENMBPK-AREMUKBSSA-N 2 0 415.585 3.688 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000511158740 1005050421 /nfs/dbraw/zinc/05/04/21/1005050421.db2.gz ODKSEHDDJQZMJS-VWLOTQADSA-N 2 0 407.602 3.968 20 0 HHADRP COC(=O)c1ccc(Cl)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000511162005 1005052171 /nfs/dbraw/zinc/05/21/71/1005052171.db2.gz PFIDLBVJFBGUDU-UHFFFAOYSA-N 2 0 422.013 3.755 20 0 HHADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511232951 1005084258 /nfs/dbraw/zinc/08/42/58/1005084258.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 2 0 401.570 3.807 20 0 HHADRP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502476210 1005087171 /nfs/dbraw/zinc/08/71/71/1005087171.db2.gz XIQHKWMVJGLKMO-XOYNAWAESA-N 2 0 412.622 3.776 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[NH+](C)C)cc1 ZINC000502511512 1005097150 /nfs/dbraw/zinc/09/71/50/1005097150.db2.gz TWBRKKYPUAIMBI-VNXZQDSDSA-N 2 0 400.611 3.940 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266314 1005098182 /nfs/dbraw/zinc/09/81/82/1005098182.db2.gz DEQCDJNKJXRVJH-IEBWSBKVSA-N 2 0 422.564 3.691 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513769064 1005117642 /nfs/dbraw/zinc/11/76/42/1005117642.db2.gz GDZCJJIMNGBNIM-UHFFFAOYSA-N 2 0 423.605 3.779 20 0 HHADRP C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309474 1005119171 /nfs/dbraw/zinc/11/91/71/1005119171.db2.gz ROGPGFFSLFBEPV-GMAHTHKFSA-N 2 0 414.638 3.845 20 0 HHADRP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819562 1005143760 /nfs/dbraw/zinc/14/37/60/1005143760.db2.gz ZFWHXZFDGIWDFD-RUZDIDTESA-N 2 0 424.585 3.528 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511439988 1005177395 /nfs/dbraw/zinc/17/73/95/1005177395.db2.gz UKTAAPMOLZIFFO-AZUAARDMSA-N 2 0 418.651 3.912 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463872 1005187116 /nfs/dbraw/zinc/18/71/16/1005187116.db2.gz QCHCYVNIUSMMGD-DYXWJJEUSA-N 2 0 402.583 3.677 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511489291 1005198009 /nfs/dbraw/zinc/19/80/09/1005198009.db2.gz JRBQHNVDSGHJNL-UHFFFAOYSA-N 2 0 409.599 3.630 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(F)c(C[NH+](C)C)c3)CC2)CC1 ZINC000502766076 1005207552 /nfs/dbraw/zinc/20/75/52/1005207552.db2.gz GJCDVOBXWYQLQW-UHFFFAOYSA-N 2 0 404.574 3.730 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010174 1005226680 /nfs/dbraw/zinc/22/66/80/1005226680.db2.gz UIPGEXGCRCZARZ-HYBUGGRVSA-N 2 0 406.574 3.917 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[NH+](C)C)c1 ZINC000502823918 1005233477 /nfs/dbraw/zinc/23/34/77/1005233477.db2.gz NSFAYZOCBDEAJN-BBHUYCHWSA-N 2 0 416.610 3.640 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514029227 1005234815 /nfs/dbraw/zinc/23/48/15/1005234815.db2.gz OKKCYRGIKWNHEG-QHCPKHFHSA-N 2 0 412.622 3.949 20 0 HHADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Br)c1 ZINC000511601572 1005240995 /nfs/dbraw/zinc/24/09/95/1005240995.db2.gz UDQLZELGDJRGFB-UHFFFAOYSA-N 2 0 410.400 3.649 20 0 HHADRP Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000511626859 1005250979 /nfs/dbraw/zinc/25/09/79/1005250979.db2.gz NASGTMHVHCFYJO-UHFFFAOYSA-N 2 0 424.427 3.674 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000502875120 1005253782 /nfs/dbraw/zinc/25/37/82/1005253782.db2.gz KSFYYLGXQMADPH-OYRHEFFESA-N 2 0 400.611 3.840 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000511643316 1005257730 /nfs/dbraw/zinc/25/77/30/1005257730.db2.gz ZXGDDVSRRYDPKE-UHFFFAOYSA-N 2 0 415.622 3.924 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000511648175 1005260690 /nfs/dbraw/zinc/26/06/90/1005260690.db2.gz ODOJWHMCCQYPFR-XMMPIXPASA-N 2 0 421.585 3.642 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514101946 1005266091 /nfs/dbraw/zinc/26/60/91/1005266091.db2.gz IUGWQMIMXRBSTL-QHCPKHFHSA-N 2 0 414.638 3.991 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239967 1005327725 /nfs/dbraw/zinc/32/77/25/1005327725.db2.gz VAVPICYYZGUIMY-RDPSFJRHSA-N 2 0 406.574 3.570 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000503337271 1005393195 /nfs/dbraw/zinc/39/31/95/1005393195.db2.gz CPNBJGKPZYSICT-SFTDATJTSA-N 2 0 404.599 3.816 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[NH+]2CCCC2)o1 ZINC000503339800 1005393701 /nfs/dbraw/zinc/39/37/01/1005393701.db2.gz IFBFMBQMWGZOEP-VXKWHMMOSA-N 2 0 416.610 3.878 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402255 1005409297 /nfs/dbraw/zinc/40/92/97/1005409297.db2.gz SPYPVHOJTAMQSM-DNQXCXABSA-N 2 0 412.622 3.805 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000503416426 1005413943 /nfs/dbraw/zinc/41/39/43/1005413943.db2.gz WEBTUXJCJHDHMH-DENIHFKCSA-N 2 0 404.574 3.582 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000503420846 1005415143 /nfs/dbraw/zinc/41/51/43/1005415143.db2.gz MDQIWZFAMWCXDW-XPPIMPSXSA-N 2 0 400.611 3.804 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000503497724 1005437384 /nfs/dbraw/zinc/43/73/84/1005437384.db2.gz GYLICZLFSNDFIR-SIKLNZKXSA-N 2 0 404.574 3.726 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCCC1)c1ccccc1 ZINC000503730906 1005486631 /nfs/dbraw/zinc/48/66/31/1005486631.db2.gz SWIDGOLLDLGALN-OAQYLSRUSA-N 2 0 423.605 3.818 20 0 HHADRP O=C(NCc1ccc(Cn2ccnc2)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000504117928 1005556070 /nfs/dbraw/zinc/55/60/70/1005556070.db2.gz PHLQKIPBDCGXBY-UHFFFAOYSA-N 2 0 403.530 3.527 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000504429394 1005626701 /nfs/dbraw/zinc/62/67/01/1005626701.db2.gz PFTCHUXEADLOIF-UHFFFAOYSA-N 2 0 423.605 3.587 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000514572456 1006042038 /nfs/dbraw/zinc/04/20/38/1006042038.db2.gz RFLHHIPQMRGSLK-JOCHJYFZSA-N 2 0 419.013 3.994 20 0 HHADRP Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357640 1006146592 /nfs/dbraw/zinc/14/65/92/1006146592.db2.gz NDBOGHPOUMCIOS-UHFFFAOYSA-N 2 0 418.585 3.705 20 0 HHADRP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534194038 1006184144 /nfs/dbraw/zinc/18/41/44/1006184144.db2.gz KJQTXIASMCWJBV-RTWAWAEBSA-N 2 0 402.583 3.886 20 0 HHADRP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534194036 1006184280 /nfs/dbraw/zinc/18/42/80/1006184280.db2.gz KJQTXIASMCWJBV-LEWJYISDSA-N 2 0 402.583 3.886 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[NH+]1CCCC1 ZINC000531445991 1006201829 /nfs/dbraw/zinc/20/18/29/1006201829.db2.gz CNAGZKGDGOTQNG-QHCPKHFHSA-N 2 0 422.573 3.568 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000534236051 1006240553 /nfs/dbraw/zinc/24/05/53/1006240553.db2.gz QWGDXRMJJKVHFW-UHFFFAOYSA-N 2 0 404.574 3.685 20 0 HHADRP CC[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000534237289 1006242331 /nfs/dbraw/zinc/24/23/31/1006242331.db2.gz OIBVWQIHMNDGMY-QFIPXVFZSA-N 2 0 412.553 3.523 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251453 1006259240 /nfs/dbraw/zinc/25/92/40/1006259240.db2.gz OXDIIVIGFVYYBF-XWDORNJCSA-N 2 0 422.976 3.598 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000531532348 1006259638 /nfs/dbraw/zinc/25/96/38/1006259638.db2.gz XCEQXHFDFWSOTR-UHFFFAOYSA-N 2 0 406.574 3.635 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534252791 1006261187 /nfs/dbraw/zinc/26/11/87/1006261187.db2.gz WXIITULMASAQNE-DCXXXQMHSA-N 2 0 422.976 3.740 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540449 1006264472 /nfs/dbraw/zinc/26/44/72/1006264472.db2.gz OWPINEHBTHELJX-RXVVDRJESA-N 2 0 407.002 3.754 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000534264848 1006273287 /nfs/dbraw/zinc/27/32/87/1006273287.db2.gz CXRFYKYFHMLYRA-WIYYLYMNSA-N 2 0 403.929 3.964 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000531677528 1006348612 /nfs/dbraw/zinc/34/86/12/1006348612.db2.gz UBPVIVWRRYQIBW-MBSDFSHPSA-N 2 0 415.603 3.645 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000531677526 1006348694 /nfs/dbraw/zinc/34/86/94/1006348694.db2.gz UBPVIVWRRYQIBW-FDDCHVKYSA-N 2 0 415.603 3.645 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000531719786 1006377453 /nfs/dbraw/zinc/37/74/53/1006377453.db2.gz PQMPQXDMWGCJLA-OXJNMPFZSA-N 2 0 415.965 3.897 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292636 1006380865 /nfs/dbraw/zinc/38/08/65/1006380865.db2.gz MULKIAPBVYUGGJ-NZQKXSOJSA-N 2 0 416.610 3.786 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534441189 1006418727 /nfs/dbraw/zinc/41/87/27/1006418727.db2.gz DKRDPVJDRWCOMO-QEFHDYNCSA-N 2 0 412.622 3.516 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000531820774 1006450490 /nfs/dbraw/zinc/45/04/90/1006450490.db2.gz DPOTXOOSUNDHJF-DEOSSOPVSA-N 2 0 423.601 3.985 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)CC1 ZINC000531841980 1006464636 /nfs/dbraw/zinc/46/46/36/1006464636.db2.gz RJZZDRAYTQFZHT-FQEVSTJZSA-N 2 0 417.395 3.598 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000515518742 1006510985 /nfs/dbraw/zinc/51/09/85/1006510985.db2.gz MXIYZWXNLBCKLA-VQTJNVASSA-N 2 0 409.574 3.722 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CC(=O)N(C)c3ccccc3)CC2)c1 ZINC000531944982 1006536527 /nfs/dbraw/zinc/53/65/27/1006536527.db2.gz ORDDEEYALOPDQJ-QHCPKHFHSA-N 2 0 422.617 3.928 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1Cl ZINC000531956141 1006543682 /nfs/dbraw/zinc/54/36/82/1006543682.db2.gz ABXPZGUTFNIWNR-QGZVFWFLSA-N 2 0 404.938 3.910 20 0 HHADRP CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955243 1006544023 /nfs/dbraw/zinc/54/40/23/1006544023.db2.gz MEHZNSCDFLLHEU-QFIPXVFZSA-N 2 0 422.573 3.793 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000531959812 1006547494 /nfs/dbraw/zinc/54/74/94/1006547494.db2.gz WISFBDATHOPUSJ-IBGZPJMESA-N 3 0 404.558 3.988 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000531989508 1006563789 /nfs/dbraw/zinc/56/37/89/1006563789.db2.gz CBUZITCCJFKJRN-IBGZPJMESA-N 2 0 424.593 3.558 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)cc2N2CCOCC2)CC1 ZINC000532042118 1006595393 /nfs/dbraw/zinc/59/53/93/1006595393.db2.gz UHDPKRJYDNISBU-UHFFFAOYSA-N 2 0 422.617 3.653 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000532105698 1006639126 /nfs/dbraw/zinc/63/91/26/1006639126.db2.gz QKSWNNPUPZJJAA-XUZZJYLKSA-N 2 0 406.618 3.970 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000515756369 1006645758 /nfs/dbraw/zinc/64/57/58/1006645758.db2.gz AOOXJFVFGNHCFT-RBUKOAKNSA-N 2 0 422.573 3.537 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000534683485 1006663278 /nfs/dbraw/zinc/66/32/78/1006663278.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 2 0 420.601 3.985 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000515805086 1006685322 /nfs/dbraw/zinc/68/53/22/1006685322.db2.gz JIMWVLCDTLLZRF-HSZRJFAPSA-N 2 0 414.569 3.764 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000515820136 1006699168 /nfs/dbraw/zinc/69/91/68/1006699168.db2.gz AAGRUCCMUMPLJY-LJQANCHMSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201051 1006717005 /nfs/dbraw/zinc/71/70/05/1006717005.db2.gz BCQRBXDVKKJZHE-QRVBRYPASA-N 2 0 416.587 3.550 20 0 HHADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000532248083 1006748146 /nfs/dbraw/zinc/74/81/46/1006748146.db2.gz FHQSFJWFXIDBQL-JOCHJYFZSA-N 2 0 415.622 3.829 20 0 HHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269719 1006760720 /nfs/dbraw/zinc/76/07/20/1006760720.db2.gz SQQYAWFWZJGONC-WOJBJXKFSA-N 2 0 422.495 3.749 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536056 1006797753 /nfs/dbraw/zinc/79/77/53/1006797753.db2.gz NCLKDTZNHSLZKK-NBGIEHNGSA-N 2 0 420.601 3.706 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000534910468 1006943691 /nfs/dbraw/zinc/94/36/91/1006943691.db2.gz VGVRRFDTZYPVRS-AWEZNQCLSA-N 2 0 402.917 3.806 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532517502 1006954839 /nfs/dbraw/zinc/95/48/39/1006954839.db2.gz GSPSCFQTEKTRFR-BPYKYCOYSA-N 2 0 411.590 3.567 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734521 1007016601 /nfs/dbraw/zinc/01/66/01/1007016601.db2.gz HSTABCBIAVQCJY-RPBOFIJWSA-N 2 0 405.586 3.750 20 0 HHADRP O[C@@H](COCc1cccs1)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965420 1007017447 /nfs/dbraw/zinc/01/74/47/1007017447.db2.gz UVTIJVPCFBKKCP-OAQYLSRUSA-N 2 0 400.588 3.614 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534969396 1007023740 /nfs/dbraw/zinc/02/37/40/1007023740.db2.gz RIMHPWYARNJNTK-UWJYYQICSA-N 2 0 422.976 3.646 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000516353508 1007036806 /nfs/dbraw/zinc/03/68/06/1007036806.db2.gz XPSXJVSVTKARNW-HNNXBMFYSA-N 2 0 409.290 3.794 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534978441 1007037110 /nfs/dbraw/zinc/03/71/10/1007037110.db2.gz AAVKOJXJFSXDLC-PGRDOPGGSA-N 2 0 412.553 3.740 20 0 HHADRP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCC(C)C ZINC000538764019 1007048286 /nfs/dbraw/zinc/04/82/86/1007048286.db2.gz IMQRTZWJTWWCSN-QFIPXVFZSA-N 2 0 403.611 3.720 20 0 HHADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000538763139 1007049063 /nfs/dbraw/zinc/04/90/63/1007049063.db2.gz IJUSCQSDRPPOCH-KDURUIRLSA-N 2 0 420.594 3.814 20 0 HHADRP CN(c1ccccc1CNc1ccccc1C[NH+]1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000538820697 1007095750 /nfs/dbraw/zinc/09/57/50/1007095750.db2.gz YMJYETAVKSHOHS-UHFFFAOYSA-N 2 0 422.617 3.786 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869273 1007147454 /nfs/dbraw/zinc/14/74/54/1007147454.db2.gz LTPAYLBQFUFJKF-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516565756 1007159769 /nfs/dbraw/zinc/15/97/69/1007159769.db2.gz AWQNFYBNADUHLE-GBXCKJPGSA-N 2 0 400.611 3.503 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164089 /nfs/dbraw/zinc/16/40/89/1007164089.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 2 0 400.611 3.975 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000532785499 1007181942 /nfs/dbraw/zinc/18/19/42/1007181942.db2.gz HALFUZFPTSDCRR-UHFFFAOYSA-N 2 0 424.408 3.898 20 0 HHADRP CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813324 1007198742 /nfs/dbraw/zinc/19/87/42/1007198742.db2.gz CRTDCBUGZLYLIS-RBBKRZOGSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[NH+](C)C ZINC000538932846 1007216775 /nfs/dbraw/zinc/21/67/75/1007216775.db2.gz WTDZEGPHVYDCKB-XMMPIXPASA-N 2 0 408.590 3.576 20 0 HHADRP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945595 1007230030 /nfs/dbraw/zinc/23/00/30/1007230030.db2.gz QISVLFJDDCJVRW-MRXNPFEDSA-N 2 0 401.942 3.696 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000539075607 1007366300 /nfs/dbraw/zinc/36/63/00/1007366300.db2.gz JORUSLMCWQHJCO-FQEVSTJZSA-N 2 0 418.379 3.981 20 0 HHADRP CN(c1ccccc1C[NH2+]CCOc1ncccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000533007762 1007372744 /nfs/dbraw/zinc/37/27/44/1007372744.db2.gz QCDNSMJEJMMQBF-UHFFFAOYSA-N 2 0 422.495 3.799 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000539117172 1007404546 /nfs/dbraw/zinc/40/45/46/1007404546.db2.gz RHYMWNKBNBAFDF-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP CCC1(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000533151069 1007489600 /nfs/dbraw/zinc/48/96/00/1007489600.db2.gz XVFYWZHSKDGSGX-HSZRJFAPSA-N 2 0 415.622 3.588 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000533254138 1007572185 /nfs/dbraw/zinc/57/21/85/1007572185.db2.gz HVFCVEHKZPMILW-UHFFFAOYSA-N 2 0 423.454 3.960 20 0 HHADRP COc1cc(OC)cc(OCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393309 1007698770 /nfs/dbraw/zinc/69/87/70/1007698770.db2.gz UGCNGKGTJCGONF-QFIPXVFZSA-N 2 0 412.530 3.660 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395517 1007701261 /nfs/dbraw/zinc/70/12/61/1007701261.db2.gz PPKBKGSKZDZQQH-ACIOBRDBSA-N 2 0 415.622 3.701 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)C[C@@H](C)O1 ZINC000539408098 1007715465 /nfs/dbraw/zinc/71/54/65/1007715465.db2.gz SXIIWMFAYFXYPC-IAGOWNOFSA-N 2 0 402.608 3.985 20 0 HHADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533409458 1007718364 /nfs/dbraw/zinc/71/83/64/1007718364.db2.gz YUXMACMPDFWAMR-HSZRJFAPSA-N 2 0 401.595 3.801 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000517525811 1007746219 /nfs/dbraw/zinc/74/62/19/1007746219.db2.gz OXDSNVVFJSMLAD-RBUKOAKNSA-N 2 0 404.555 3.626 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542304 1007758203 /nfs/dbraw/zinc/75/82/03/1007758203.db2.gz OVSCAYMHELSDIT-SQJMNOBHSA-N 2 0 420.601 3.828 20 0 HHADRP C[NH+]1Cc2ccccc2[C@H](Nc2cc(N[C@@H]3C[N@@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739430 1007767371 /nfs/dbraw/zinc/76/73/71/1007767371.db2.gz HKUXUNLAPFMWQD-FGZHOGPDSA-N 2 0 400.530 3.674 20 0 HHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496408 1007807400 /nfs/dbraw/zinc/80/74/00/1007807400.db2.gz MDZPWVGFJVYRAM-DHIUTWEWSA-N 2 0 402.579 3.614 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000535802481 1007809978 /nfs/dbraw/zinc/80/99/78/1007809978.db2.gz FAISUEWELBLKJE-HXUWFJFHSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578672 1007882408 /nfs/dbraw/zinc/88/24/08/1007882408.db2.gz GVLCJEJTLNGUFM-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615464 1007930431 /nfs/dbraw/zinc/93/04/31/1007930431.db2.gz FUNGEHBLXXUMOQ-LEWJYISDSA-N 2 0 422.976 3.929 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c(C)c2)CC1 ZINC000517727423 1007934186 /nfs/dbraw/zinc/93/41/86/1007934186.db2.gz FUIZZFMDEQQRTG-UHFFFAOYSA-N 2 0 420.601 3.988 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@@H](C)C1 ZINC000539646109 1007963296 /nfs/dbraw/zinc/96/32/96/1007963296.db2.gz XGIXLCAWFGDVKY-XUZZJYLKSA-N 2 0 402.627 3.766 20 0 HHADRP COc1ccc2cc([C@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)ccc2c1 ZINC000539689615 1008008939 /nfs/dbraw/zinc/00/89/39/1008008939.db2.gz ODWWTVMQVBILBI-DFBJGRDBSA-N 2 0 419.569 3.788 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000517889969 1008034456 /nfs/dbraw/zinc/03/44/56/1008034456.db2.gz HJWFCHXCUZDTMP-VXKWHMMOSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1nc(COc2ccc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123382 /nfs/dbraw/zinc/12/33/82/1008123382.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 2 0 406.530 3.911 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000533810195 1008128094 /nfs/dbraw/zinc/12/80/94/1008128094.db2.gz FYOUJZZLACYCIH-JOCHJYFZSA-N 2 0 416.997 3.586 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000533927962 1008211056 /nfs/dbraw/zinc/21/10/56/1008211056.db2.gz KOVFZFXPXSJRNB-PKTZIBPZSA-N 2 0 410.537 3.535 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955807 1008231931 /nfs/dbraw/zinc/23/19/31/1008231931.db2.gz SPJBNXJAAXXMKO-SGNDLWITSA-N 2 0 422.573 3.577 20 0 HHADRP Cc1cccc(NC(=O)NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000540043936 1008253428 /nfs/dbraw/zinc/25/34/28/1008253428.db2.gz MRXROZDJBBBZGF-UHFFFAOYSA-N 2 0 423.561 3.585 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)CC1CC1 ZINC000540047562 1008257224 /nfs/dbraw/zinc/25/72/24/1008257224.db2.gz PZDRBSAGZDWMMQ-SFHVURJKSA-N 2 0 414.594 3.806 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)CC1CC1 ZINC000540049739 1008258725 /nfs/dbraw/zinc/25/87/25/1008258725.db2.gz SMHQKJFQHJNHON-LJQANCHMSA-N 2 0 403.533 3.621 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c(C)n2n1 ZINC000540085929 1008279701 /nfs/dbraw/zinc/27/97/01/1008279701.db2.gz YWYYVPKEVHGUMR-IAGOWNOFSA-N 2 0 410.541 3.649 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157099 1008314846 /nfs/dbraw/zinc/31/48/46/1008314846.db2.gz VOYZSKVOWOEZMW-POCHDABASA-N 2 0 415.965 3.903 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160786 1008316230 /nfs/dbraw/zinc/31/62/30/1008316230.db2.gz KYGCSIKEGVXMBJ-YCRPNKLZSA-N 2 0 419.928 3.876 20 0 HHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540163372 1008317843 /nfs/dbraw/zinc/31/78/43/1008317843.db2.gz LVVGASLNSAGMJJ-GOTSBHOMSA-N 2 0 424.004 3.801 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000540166351 1008318844 /nfs/dbraw/zinc/31/88/44/1008318844.db2.gz BSIAYKVNKGJMAY-VQIMIIECSA-N 2 0 406.958 3.659 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000540171238 1008321284 /nfs/dbraw/zinc/32/12/84/1008321284.db2.gz PAOBVZXSYRNJME-QFIPXVFZSA-N 2 0 423.557 3.524 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000540176499 1008323553 /nfs/dbraw/zinc/32/35/53/1008323553.db2.gz ROWNZWDKYXEIMV-HXUWFJFHSA-N 2 0 421.463 3.654 20 0 HHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540176828 1008323700 /nfs/dbraw/zinc/32/37/00/1008323700.db2.gz YRHYENJZFZFFGL-MRXNPFEDSA-N 2 0 403.954 3.881 20 0 HHADRP COC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405629 1008418969 /nfs/dbraw/zinc/41/89/69/1008418969.db2.gz CSLIHPZCDXRICR-PKTZIBPZSA-N 2 0 403.517 3.621 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540416501 1008423770 /nfs/dbraw/zinc/42/37/70/1008423770.db2.gz QMPPQQOSMMYRAD-LJQANCHMSA-N 2 0 407.986 3.770 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000518835809 1008439629 /nfs/dbraw/zinc/43/96/29/1008439629.db2.gz NCRBPJNONLGJGW-PWRODBHTSA-N 2 0 404.986 3.621 20 0 HHADRP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540494128 1008454217 /nfs/dbraw/zinc/45/42/17/1008454217.db2.gz QAFLKYLYLNLBDV-CTNGQTDRSA-N 2 0 407.558 3.852 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCC(=O)N1Cc3ccccc3C1)c1ccccc1O2 ZINC000540496154 1008455430 /nfs/dbraw/zinc/45/54/30/1008455430.db2.gz XHADPLYDTDNPQL-HSZRJFAPSA-N 2 0 419.569 3.887 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504663 1008458756 /nfs/dbraw/zinc/45/87/56/1008458756.db2.gz FOBFKBFFYHPYBM-ROUUACIJSA-N 2 0 402.608 3.860 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507894 1008460500 /nfs/dbraw/zinc/46/05/00/1008460500.db2.gz RHNLRLKVKSOWFJ-FYYLOGMGSA-N 2 0 419.569 3.613 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950902 1008536608 /nfs/dbraw/zinc/53/66/08/1008536608.db2.gz ZHFDGAMRJFTOOG-DFIYOIEZSA-N 2 0 424.585 3.897 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000545457924 1008569568 /nfs/dbraw/zinc/56/95/68/1008569568.db2.gz KLKYLCWZHJGTTM-MRXNPFEDSA-N 2 0 422.411 3.684 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036257 1008604543 /nfs/dbraw/zinc/60/45/43/1008604543.db2.gz OYKITXJBJCEVSV-UGKGYDQZSA-N 2 0 401.595 3.503 20 0 HHADRP CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)CC1 ZINC000549087862 1008652006 /nfs/dbraw/zinc/65/20/06/1008652006.db2.gz MVIFEKQFASDDRA-RPBOFIJWSA-N 2 0 405.586 3.811 20 0 HHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543081182 1008657875 /nfs/dbraw/zinc/65/78/75/1008657875.db2.gz BTNLSFPTYBJGJH-GCJKJVERSA-N 2 0 411.615 3.827 20 0 HHADRP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000543160826 1008733360 /nfs/dbraw/zinc/73/33/60/1008733360.db2.gz BMUVFBDUXAIMHV-OAQYLSRUSA-N 2 0 419.491 3.878 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000519415157 1008796660 /nfs/dbraw/zinc/79/66/60/1008796660.db2.gz CHYKGGZZCDWZKV-UHFFFAOYSA-N 2 0 417.597 3.948 20 0 HHADRP COc1cc(N[C@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc(OC)c1 ZINC000543396373 1008987798 /nfs/dbraw/zinc/98/77/98/1008987798.db2.gz RHTKZJMUAODSKY-IBGZPJMESA-N 2 0 407.518 3.669 20 0 HHADRP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463362 1009050539 /nfs/dbraw/zinc/05/05/39/1009050539.db2.gz KUBWUUJQIOGSQW-KQUUTEEUSA-N 2 0 402.579 3.711 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000549584423 1009210587 /nfs/dbraw/zinc/21/05/87/1009210587.db2.gz LOPLMEHEDHDECC-QHCPKHFHSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000543944954 1009538709 /nfs/dbraw/zinc/53/87/09/1009538709.db2.gz WPBVQOCNWOXTEM-GZGNHOFSSA-N 2 0 401.639 3.842 20 0 HHADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000544041470 1009644248 /nfs/dbraw/zinc/64/42/48/1009644248.db2.gz NCZUXFBBXUZSGW-YHDCXSKOSA-N 2 0 414.594 3.548 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000546718729 1009698909 /nfs/dbraw/zinc/69/89/09/1009698909.db2.gz RQAUKLGVGCTCOT-HSZRJFAPSA-N 2 0 408.590 3.879 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H](C)O1 ZINC000544173214 1009777216 /nfs/dbraw/zinc/77/72/16/1009777216.db2.gz KAEVOUASIWJZMD-GASCZTMLSA-N 2 0 412.365 3.553 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842988 1009898346 /nfs/dbraw/zinc/89/83/46/1009898346.db2.gz BJXHLQHFNWGJDI-YOSAUDMPSA-N 2 0 406.574 3.568 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332677 1009956282 /nfs/dbraw/zinc/95/62/82/1009956282.db2.gz VOZDRYUSBPYBRT-YFNKSVMNSA-N 2 0 412.622 3.947 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000520910153 1009964717 /nfs/dbraw/zinc/96/47/17/1009964717.db2.gz ZRFSMBHIWYKOEV-HSZRJFAPSA-N 2 0 400.611 3.710 20 0 HHADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000544357584 1009983773 /nfs/dbraw/zinc/98/37/73/1009983773.db2.gz TXXPDAJCRILJQO-SANMLTNESA-N 2 0 423.601 3.633 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)CN1CC[NH+](C)CC1 ZINC000520958735 1010006238 /nfs/dbraw/zinc/00/62/38/1010006238.db2.gz DDVCNZUHXYGKLP-INIZCTEOSA-N 2 0 406.368 3.682 20 0 HHADRP C[NH+](C)CC1CCC([NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000544405919 1010024819 /nfs/dbraw/zinc/02/48/19/1010024819.db2.gz WGRFPQPFFLKUAX-UHFFFAOYSA-N 2 0 405.178 3.817 20 0 HHADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000544578905 1010206197 /nfs/dbraw/zinc/20/61/97/1010206197.db2.gz IQHUYBJYEIHUNQ-HXUWFJFHSA-N 2 0 400.588 3.933 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cccc(N3CCOCC3)c1)c1ccccc1O2 ZINC000550855911 1010219210 /nfs/dbraw/zinc/21/92/10/1010219210.db2.gz DWDJDURZCJVXOD-HSZRJFAPSA-N 2 0 407.558 3.601 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccc(F)cc2)CC1 ZINC000550939729 1010268841 /nfs/dbraw/zinc/26/88/41/1010268841.db2.gz LXHYHAGCUXKKRH-VWLOTQADSA-N 3 0 418.645 3.995 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000521315266 1010298954 /nfs/dbraw/zinc/29/89/54/1010298954.db2.gz ZQOVDESDXGEALT-RUZDIDTESA-N 2 0 420.601 3.784 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000547541309 1010345455 /nfs/dbraw/zinc/34/54/55/1010345455.db2.gz PULFVEVFEULNIC-UHFFFAOYSA-N 2 0 411.575 3.920 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000521624088 1010509772 /nfs/dbraw/zinc/50/97/72/1010509772.db2.gz VHAQWPAQHLCQSX-IBGZPJMESA-N 2 0 407.002 3.582 20 0 HHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000548085650 1010525777 /nfs/dbraw/zinc/52/57/77/1010525777.db2.gz SIXAEBVCCDQDHJ-LJQANCHMSA-N 2 0 424.564 3.664 20 0 HHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000548085649 1010525804 /nfs/dbraw/zinc/52/58/04/1010525804.db2.gz SIXAEBVCCDQDHJ-IBGZPJMESA-N 2 0 424.564 3.664 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1)C1CC1 ZINC000545095881 1010612117 /nfs/dbraw/zinc/61/21/17/1010612117.db2.gz YOYKJNMTVVYVRQ-UHFFFAOYSA-N 2 0 418.545 3.535 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC3 ZINC000545192021 1010678934 /nfs/dbraw/zinc/67/89/34/1010678934.db2.gz VAXFUJWEOSISOW-SFTDATJTSA-N 2 0 419.569 3.780 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000548834117 1010740832 /nfs/dbraw/zinc/74/08/32/1010740832.db2.gz YEVZTOPZWVTDDZ-UHFFFAOYSA-N 2 0 420.351 3.508 20 0 HHADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387619 1010768389 /nfs/dbraw/zinc/76/83/89/1010768389.db2.gz ZKXOZWMGFJKNMT-OXQOHEQNSA-N 2 0 420.479 3.979 20 0 HHADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387617 1010768574 /nfs/dbraw/zinc/76/85/74/1010768574.db2.gz ZKXOZWMGFJKNMT-JXFKEZNVSA-N 2 0 420.479 3.979 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000522073597 1010793390 /nfs/dbraw/zinc/79/33/90/1010793390.db2.gz RUINMGOIRJNNRR-UHFFFAOYSA-N 2 0 423.605 3.910 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000522102501 1010814086 /nfs/dbraw/zinc/81/40/86/1010814086.db2.gz OPAMOERKYBZHPO-CWAQXLGLSA-N 2 0 412.622 3.944 20 0 HHADRP Cc1ccc([C@@H](C)N(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000522125804 1010824345 /nfs/dbraw/zinc/82/43/45/1010824345.db2.gz POSFNVVRFSBVOT-OAQYLSRUSA-N 2 0 409.578 3.613 20 0 HHADRP CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522126028 1010824760 /nfs/dbraw/zinc/82/47/60/1010824760.db2.gz DFNOECCIIWPBNB-UHFFFAOYSA-N 2 0 423.605 3.733 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000522308448 1010921076 /nfs/dbraw/zinc/92/10/76/1010921076.db2.gz ODQFWQQJLSKKSE-DEOSSOPVSA-N 2 0 408.590 3.905 20 0 HHADRP Cc1ccc(CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(C)C)s1 ZINC000522409026 1010988650 /nfs/dbraw/zinc/98/86/50/1010988650.db2.gz SLOSATQNZCQUPY-UHFFFAOYSA-N 2 0 415.607 3.584 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000522467076 1011030508 /nfs/dbraw/zinc/03/05/08/1011030508.db2.gz WMWBSMRZARXCAV-OAQYLSRUSA-N 2 0 404.599 3.878 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202613 /nfs/dbraw/zinc/20/26/13/1011202613.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 2 0 424.511 3.624 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265532 /nfs/dbraw/zinc/26/55/32/1011265532.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 2 0 420.601 3.842 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830470 1011265990 /nfs/dbraw/zinc/26/59/90/1011265990.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 2 0 420.601 3.984 20 0 HHADRP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523134272 1011603363 /nfs/dbraw/zinc/60/33/63/1011603363.db2.gz WQUXBZLCXLTWNG-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991195 1011624894 /nfs/dbraw/zinc/62/48/94/1011624894.db2.gz DVEJJDSQVLEDFR-NBGIEHNGSA-N 2 0 404.558 3.739 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991772 1011625545 /nfs/dbraw/zinc/62/55/45/1011625545.db2.gz KMKKEUCSBJFLKA-RXVVDRJESA-N 2 0 406.448 3.929 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000536571414 1011735254 /nfs/dbraw/zinc/73/52/54/1011735254.db2.gz YRJAZHPRWFNTSJ-QHCPKHFHSA-N 2 0 423.605 3.502 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1)CC1CC1 ZINC000536590803 1011753275 /nfs/dbraw/zinc/75/32/75/1011753275.db2.gz PEKZLJUATNLORV-HSZRJFAPSA-N 2 0 418.601 3.972 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536593945 1011756132 /nfs/dbraw/zinc/75/61/32/1011756132.db2.gz URZYSUHEJUVBAL-OAQYLSRUSA-N 2 0 415.626 3.842 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000523300781 1011779286 /nfs/dbraw/zinc/77/92/86/1011779286.db2.gz FEICQNAUDKRGJZ-FQEVSTJZSA-N 2 0 406.640 3.724 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000523300782 1011779920 /nfs/dbraw/zinc/77/99/20/1011779920.db2.gz FEICQNAUDKRGJZ-HXUWFJFHSA-N 2 0 406.640 3.724 20 0 HHADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000523313875 1011789468 /nfs/dbraw/zinc/78/94/68/1011789468.db2.gz GZEDFCIZBPUZRU-UHFFFAOYSA-N 2 0 415.626 3.840 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)cc1)C1CC1 ZINC000541169852 1011842383 /nfs/dbraw/zinc/84/23/83/1011842383.db2.gz AXVQJPGAZNULQC-VWLOTQADSA-N 2 0 421.585 3.558 20 0 HHADRP CCOc1ccc(CN(C)C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536707676 1011877620 /nfs/dbraw/zinc/87/76/20/1011877620.db2.gz JUBIHOYEBXVMKL-UHFFFAOYSA-N 2 0 424.589 3.677 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1cccc(Cl)c1 ZINC000536724362 1011896310 /nfs/dbraw/zinc/89/63/10/1011896310.db2.gz HWZGBYKKSZXLJB-UHFFFAOYSA-N 2 0 400.954 3.590 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4c(Br)cccc43)ccn2)CC1 ZINC000541222417 1011896843 /nfs/dbraw/zinc/89/68/43/1011896843.db2.gz GBMAONWRMVKWKP-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445357 1011940568 /nfs/dbraw/zinc/94/05/68/1011940568.db2.gz GXWPMZSHZPIYDH-TZIWHRDSSA-N 2 0 410.562 3.892 20 0 HHADRP Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000523447992 1011946329 /nfs/dbraw/zinc/94/63/29/1011946329.db2.gz FEDTYFDFBBZVSO-UHFFFAOYSA-N 2 0 410.562 3.853 20 0 HHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000551790067 1011948812 /nfs/dbraw/zinc/94/88/12/1011948812.db2.gz VLDQSDZTAGICFS-QTLGCAHFSA-N 2 0 421.585 3.803 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816543 1011973695 /nfs/dbraw/zinc/97/36/95/1011973695.db2.gz AIHGUBAWHWXGLF-NBGIEHNGSA-N 2 0 408.590 3.555 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816545 1011974182 /nfs/dbraw/zinc/97/41/82/1011974182.db2.gz AIHGUBAWHWXGLF-NLFFAJNJSA-N 2 0 408.590 3.555 20 0 HHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000536819879 1012045384 /nfs/dbraw/zinc/04/53/84/1012045384.db2.gz HCYQOKKUAFRQLU-IBGZPJMESA-N 2 0 405.546 3.961 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536830921 1012059781 /nfs/dbraw/zinc/05/97/81/1012059781.db2.gz FRPKHQBBBBNCLC-PMACEKPBSA-N 2 0 409.640 3.736 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552045266 1012064224 /nfs/dbraw/zinc/06/42/24/1012064224.db2.gz AZLQRFZRKLLQEB-VNSJUHMKSA-N 3 0 412.666 3.540 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839723 1012069915 /nfs/dbraw/zinc/06/99/15/1012069915.db2.gz OGNDYRZBONWNCD-YTJPUZGESA-N 2 0 415.965 3.903 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839715 1012070269 /nfs/dbraw/zinc/07/02/69/1012070269.db2.gz OGNDYRZBONWNCD-POCHDABASA-N 2 0 415.965 3.903 20 0 HHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057387 1012074725 /nfs/dbraw/zinc/07/47/25/1012074725.db2.gz RQCAQRCPTFALRR-OEMFJLHTSA-N 2 0 405.590 3.726 20 0 HHADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000552065570 1012083151 /nfs/dbraw/zinc/08/31/51/1012083151.db2.gz FUMWDRWNXKIXKT-MBSDFSHPSA-N 2 0 412.574 3.690 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552071112 1012088557 /nfs/dbraw/zinc/08/85/57/1012088557.db2.gz PWDMMXZFFUSAJR-QWJIHBKKSA-N 2 0 402.558 3.923 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000536859688 1012094198 /nfs/dbraw/zinc/09/41/98/1012094198.db2.gz XWLSJSRRSIWXBA-XMMPIXPASA-N 2 0 405.517 3.996 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000536860472 1012094429 /nfs/dbraw/zinc/09/44/29/1012094429.db2.gz ZYMHUYPLOAPBAH-KRWDZBQOSA-N 2 0 417.500 3.964 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000536864945 1012101265 /nfs/dbraw/zinc/10/12/65/1012101265.db2.gz UZFCWUXAQYVPTL-LJQANCHMSA-N 2 0 403.979 3.958 20 0 HHADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000552090929 1012106104 /nfs/dbraw/zinc/10/61/04/1012106104.db2.gz XMFHTJDRJRDGMJ-DFGXFYAUSA-N 2 0 407.628 3.696 20 0 HHADRP COc1ccc(Oc2ccc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)cc2)cc1 ZINC000541388070 1012110885 /nfs/dbraw/zinc/11/08/85/1012110885.db2.gz VFWNTQPQEDIYIC-UHFFFAOYSA-N 2 0 418.541 3.924 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000523600897 1012166755 /nfs/dbraw/zinc/16/67/55/1012166755.db2.gz KQTMLTRXGYAAKX-BGYRXZFFSA-N 2 0 400.611 3.837 20 0 HHADRP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278084 1012290760 /nfs/dbraw/zinc/29/07/60/1012290760.db2.gz TURMUWLKRLXYCI-WMZHIEFXSA-N 2 0 409.574 3.863 20 0 HHADRP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278077 1012291252 /nfs/dbraw/zinc/29/12/52/1012291252.db2.gz TURMUWLKRLXYCI-AUSIDOKSSA-N 2 0 409.574 3.863 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1nc2ccccc2n1C ZINC000537000508 1012302750 /nfs/dbraw/zinc/30/27/50/1012302750.db2.gz HXSLSLCFHXINLJ-IBGZPJMESA-N 2 0 422.573 3.914 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522685 1012304324 /nfs/dbraw/zinc/30/43/24/1012304324.db2.gz XJXATAOCXPQTDA-RCZVLFRGSA-N 2 0 412.622 3.949 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542325 1012327205 /nfs/dbraw/zinc/32/72/05/1012327205.db2.gz RJOXAOXUCCPUQQ-QHCPKHFHSA-N 2 0 423.557 3.739 20 0 HHADRP Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552332472 1012340563 /nfs/dbraw/zinc/34/05/63/1012340563.db2.gz SYUMKGLYQHJMPI-YZGWKJHDSA-N 2 0 403.368 3.536 20 0 HHADRP CC1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000541574569 1012364888 /nfs/dbraw/zinc/36/48/88/1012364888.db2.gz CHILCMPBLQQPJD-VWLOTQADSA-N 2 0 419.613 3.970 20 0 HHADRP C[C@H](C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000537115147 1012491501 /nfs/dbraw/zinc/49/15/01/1012491501.db2.gz FUKQLTAZTXWKRU-VCBZYWHSSA-N 2 0 412.441 3.705 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523832691 1012519431 /nfs/dbraw/zinc/51/94/31/1012519431.db2.gz IAJZQBDTLXXEIE-OFNKIYASSA-N 2 0 406.574 3.635 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000523905150 1012619453 /nfs/dbraw/zinc/61/94/53/1012619453.db2.gz KVFGXQFDTBPRSK-VWLOTQADSA-N 2 0 422.617 3.509 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000541780782 1012650422 /nfs/dbraw/zinc/65/04/22/1012650422.db2.gz RXIJUBYGSCDMMA-KNQAVFIVSA-N 2 0 416.610 3.594 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)c1ccco1 ZINC000523937547 1012669865 /nfs/dbraw/zinc/66/98/65/1012669865.db2.gz UEYDAWCXQBLVNB-RTBURBONSA-N 2 0 402.539 3.700 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+]2CCCC2)o1 ZINC000523939429 1012672732 /nfs/dbraw/zinc/67/27/32/1012672732.db2.gz NBGHJQQWSXXRCZ-NRFANRHFSA-N 2 0 416.541 3.637 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000523940629 1012674848 /nfs/dbraw/zinc/67/48/48/1012674848.db2.gz SKYGVCJKMGTBBG-FCHUYYIVSA-N 2 0 412.578 3.889 20 0 HHADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000523968508 1012713227 /nfs/dbraw/zinc/71/32/27/1012713227.db2.gz YIJDNXYRXVPXRE-HXUWFJFHSA-N 2 0 401.938 3.884 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000541915100 1012773127 /nfs/dbraw/zinc/77/31/27/1012773127.db2.gz XWFBRGLJNOWAJK-WZONZLPQSA-N 2 0 410.562 3.634 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000541915097 1012773387 /nfs/dbraw/zinc/77/33/87/1012773387.db2.gz XWFBRGLJNOWAJK-FDDCHVKYSA-N 2 0 410.562 3.634 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000552787130 1012793052 /nfs/dbraw/zinc/79/30/52/1012793052.db2.gz PXZYVJLNPPUQOV-SFHVURJKSA-N 2 0 415.578 3.619 20 0 HHADRP CC[C@@H](C)Oc1cc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccn1 ZINC000537468226 1012971440 /nfs/dbraw/zinc/97/14/40/1012971440.db2.gz PBHRKHFKOFIMOW-LJQANCHMSA-N 2 0 416.610 3.527 20 0 HHADRP CC[C@H](C)Oc1cc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccn1 ZINC000537468217 1012971703 /nfs/dbraw/zinc/97/17/03/1012971703.db2.gz PBHRKHFKOFIMOW-IBGZPJMESA-N 2 0 416.610 3.527 20 0 HHADRP c1ccc(-c2ccccc2C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000729679865 1071801218 /nfs/dbraw/zinc/80/12/18/1071801218.db2.gz SRHXRQBMGBBAOV-UHFFFAOYSA-N 2 0 401.558 3.836 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857879 1072479990 /nfs/dbraw/zinc/47/99/90/1072479990.db2.gz LXTBJWFUCQBUFF-ADYITMSISA-N 2 0 400.611 3.564 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000586865182 1072486864 /nfs/dbraw/zinc/48/68/64/1072486864.db2.gz DNSJJRPHKOOCMX-QFIPXVFZSA-N 2 0 412.578 3.874 20 0 HHADRP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168322927 1072503392 /nfs/dbraw/zinc/50/33/92/1072503392.db2.gz JKEUFAXTLAEWOC-XPJNUEMQSA-N 2 0 412.622 3.917 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(-c2ccccc2)cc1OC ZINC000554883093 1072935512 /nfs/dbraw/zinc/93/55/12/1072935512.db2.gz UUTVNOSZTQBBCJ-UHFFFAOYSA-N 2 0 423.601 3.830 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588708728 1073154592 /nfs/dbraw/zinc/15/45/92/1073154592.db2.gz DEKHBPPFQCZHQL-SFTDATJTSA-N 2 0 415.622 3.635 20 0 HHADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452361 1073291335 /nfs/dbraw/zinc/29/13/35/1073291335.db2.gz JCUQOVRNHFYGSU-RBBKRZOGSA-N 2 0 402.966 3.972 20 0 HHADRP CC(C)(C)OC(=O)N1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168395984 1073418544 /nfs/dbraw/zinc/41/85/44/1073418544.db2.gz AROWTIWQKBEQON-OAQYLSRUSA-N 2 0 405.558 3.606 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060554 1073534999 /nfs/dbraw/zinc/53/49/99/1073534999.db2.gz NHALWWDFCFPLRQ-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000590147293 1073589249 /nfs/dbraw/zinc/58/92/49/1073589249.db2.gz OCRYFKOSCQQHJY-UXHICEINSA-N 2 0 400.592 3.877 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147097 1073589796 /nfs/dbraw/zinc/58/97/96/1073589796.db2.gz IDOSFGLLVUXYAA-VXKWHMMOSA-N 2 0 410.562 3.943 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555582623 1073650635 /nfs/dbraw/zinc/65/06/35/1073650635.db2.gz DSHSFKQTQQPVTP-TZIWHRDSSA-N 2 0 409.549 3.784 20 0 HHADRP Brc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)c(Br)c1 ZINC000555612677 1073676076 /nfs/dbraw/zinc/67/60/76/1073676076.db2.gz ZFYIAYSFFUDZAE-UHFFFAOYSA-N 2 0 405.178 3.962 20 0 HHADRP CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000555924776 1073979211 /nfs/dbraw/zinc/97/92/11/1073979211.db2.gz JIFVYLDFPXPFEL-GOSISDBHSA-N 2 0 402.505 3.537 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786373 1074003348 /nfs/dbraw/zinc/00/33/48/1074003348.db2.gz UJWJZRXHKKYLQW-SFHVURJKSA-N 2 0 410.002 3.618 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000590797955 1074007597 /nfs/dbraw/zinc/00/75/97/1074007597.db2.gz JWODSMDWWFLIMR-LJQANCHMSA-N 2 0 418.379 3.758 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)C(F)(F)C1 ZINC001168368104 1074147064 /nfs/dbraw/zinc/14/70/64/1074147064.db2.gz AFHDHBAXQDPSOH-QGZVFWFLSA-N 2 0 401.542 3.733 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126962614 1074153821 /nfs/dbraw/zinc/15/38/21/1074153821.db2.gz ZNVNNVISDBZYJK-LGVFNWMJSA-N 2 0 405.586 3.781 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000591153669 1074153854 /nfs/dbraw/zinc/15/38/54/1074153854.db2.gz UQXUHNXKXVRGIL-UHFFFAOYSA-N 2 0 403.636 3.820 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591447747 1074303279 /nfs/dbraw/zinc/30/32/79/1074303279.db2.gz YGAJWRIHZZGBTL-FQEVSTJZSA-N 2 0 401.595 3.790 20 0 HHADRP C[C@H](CC[NH+](C)C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000591579595 1074423830 /nfs/dbraw/zinc/42/38/30/1074423830.db2.gz XZQITNOPVZWKMH-OAHLLOKOSA-N 2 0 403.398 3.797 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000573607670 1074567121 /nfs/dbraw/zinc/56/71/21/1074567121.db2.gz RZEGDRCAWMCWTP-UHFFFAOYSA-N 2 0 408.306 3.537 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593498360 1075204207 /nfs/dbraw/zinc/20/42/07/1075204207.db2.gz ISAAHAAUWPBPMQ-OALUTQOASA-N 2 0 404.599 3.895 20 0 HHADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470515 1075250724 /nfs/dbraw/zinc/25/07/24/1075250724.db2.gz RWCBJLKCQRWNOJ-QZTJIDSGSA-N 2 0 404.576 3.832 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594248964 1075271302 /nfs/dbraw/zinc/27/13/02/1075271302.db2.gz BFWKBEUBUGGCGB-QFIPXVFZSA-N 2 0 416.635 3.760 20 0 HHADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000601338777 1075605775 /nfs/dbraw/zinc/60/57/75/1075605775.db2.gz LJVOQMIHLMFGGY-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000602277881 1075725850 /nfs/dbraw/zinc/72/58/50/1075725850.db2.gz LHIBVHYJYHFICE-DEOSSOPVSA-N 2 0 407.602 3.956 20 0 HHADRP Clc1ncc2c(c1N1CC[C@H]3[NH2+]CC[C@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164410790 718875363 /nfs/dbraw/zinc/87/53/63/718875363.db2.gz HCUWFCJIOAOPAQ-NHCUHLMSSA-N 2 0 424.976 3.697 20 0 HHADRP c1cc2c[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754826 720875859 /nfs/dbraw/zinc/87/58/59/720875859.db2.gz SXXXKURLUYNYSP-RCZVLFRGSA-N 2 0 417.557 3.713 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001165027855 721823028 /nfs/dbraw/zinc/82/30/28/721823028.db2.gz UEPFLCHHEOWQHO-YFNKSVMNSA-N 2 0 405.590 3.809 20 0 HHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)cc1 ZINC001164939684 721930321 /nfs/dbraw/zinc/93/03/21/721930321.db2.gz OIISUWIYROTPKF-UHFFFAOYSA-N 2 0 420.601 3.857 20 0 HHADRP Cc1ccc(C[NH+]2CCOC3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC3)C2)cc1 ZINC001164940710 721932100 /nfs/dbraw/zinc/93/21/00/721932100.db2.gz YBFURRJEJMWFNH-UHFFFAOYSA-N 2 0 420.601 3.856 20 0 HHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000542136902 1013070077 /nfs/dbraw/zinc/07/00/77/1013070077.db2.gz QFJOITGZYZAQLS-IBGZPJMESA-N 2 0 411.615 3.955 20 0 HHADRP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000303214619 971564567 /nfs/dbraw/zinc/56/45/67/971564567.db2.gz SQJHKBOZDXRXPW-XMMPIXPASA-N 2 0 413.606 3.947 20 0 HHADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000303214618 971564639 /nfs/dbraw/zinc/56/46/39/971564639.db2.gz SQJHKBOZDXRXPW-DEOSSOPVSA-N 2 0 413.606 3.947 20 0 HHADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(OCC[NH+](C)C)c1 ZINC000303755280 972007339 /nfs/dbraw/zinc/00/73/39/972007339.db2.gz CTYKJVIVSJYTDG-UHFFFAOYSA-N 2 0 416.541 3.670 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177615 1013137347 /nfs/dbraw/zinc/13/73/47/1013137347.db2.gz JHKSBPXZBXWFCZ-QRVBRYPASA-N 2 0 411.512 3.849 20 0 HHADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621824 1013167104 /nfs/dbraw/zinc/16/71/04/1013167104.db2.gz IOZQAIQTHJANDA-WIOPSUGQSA-N 2 0 422.617 3.735 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000537631544 1013185746 /nfs/dbraw/zinc/18/57/46/1013185746.db2.gz QEXJMZXTFOIUKV-UHFFFAOYSA-N 2 0 404.986 3.744 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cncc(Br)c2)CC1 ZINC000542253328 1013213440 /nfs/dbraw/zinc/21/34/40/1013213440.db2.gz MESWHDWFUYLRCI-OAHLLOKOSA-N 2 0 421.358 3.976 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537692615 1013256812 /nfs/dbraw/zinc/25/68/12/1013256812.db2.gz KPMQYIYVNXGCDB-GUDVDZBRSA-N 2 0 408.468 3.575 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000542316721 1013272846 /nfs/dbraw/zinc/27/28/46/1013272846.db2.gz ACOSROQUGPPJCO-QGZVFWFLSA-N 2 0 412.335 3.707 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000542367825 1013323457 /nfs/dbraw/zinc/32/34/57/1013323457.db2.gz WRBYXTUKPCPIJM-IBGZPJMESA-N 2 0 415.607 3.998 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCSc2ccccc21 ZINC000537843733 1013406828 /nfs/dbraw/zinc/40/68/28/1013406828.db2.gz VOWYDAUWPGIGKY-UHFFFAOYSA-N 2 0 410.587 3.759 20 0 HHADRP Cc1cc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475862 1013423299 /nfs/dbraw/zinc/42/32/99/1013423299.db2.gz MFLNEVJRUAIDQV-RUZDIDTESA-N 2 0 419.548 3.815 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC000537878182 1013456123 /nfs/dbraw/zinc/45/61/23/1013456123.db2.gz DEKRSKWOWMCOLN-UHFFFAOYSA-N 2 0 413.610 3.640 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887614 1013469106 /nfs/dbraw/zinc/46/91/06/1013469106.db2.gz MVVOQMILBUXSMV-GGAORHGYSA-N 2 0 409.574 3.942 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050136930 964274048 /nfs/dbraw/zinc/27/40/48/964274048.db2.gz QKGMIJAJZWMPHS-HXUWFJFHSA-N 2 0 406.640 3.722 20 0 HHADRP CCC1(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000553652692 1013523468 /nfs/dbraw/zinc/52/34/68/1013523468.db2.gz DGBLJIQUNXAYCQ-JTHBVZDNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537940987 1013525436 /nfs/dbraw/zinc/52/54/36/1013525436.db2.gz DLTNTOSQZLUWGM-YWZLYKJASA-N 2 0 407.352 3.774 20 0 HHADRP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537962376 1013540423 /nfs/dbraw/zinc/54/04/23/1013540423.db2.gz WUBAZAMYYCYQCQ-YWZLYKJASA-N 2 0 407.352 3.774 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969025 1013546110 /nfs/dbraw/zinc/54/61/10/1013546110.db2.gz IQOAYOLLSNPHOK-ULQDDVLXSA-N 2 0 405.974 3.769 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537977186 1013553308 /nfs/dbraw/zinc/55/33/08/1013553308.db2.gz XIUTWSFMADKOPM-OXJNMPFZSA-N 2 0 401.938 3.737 20 0 HHADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980945 1013557175 /nfs/dbraw/zinc/55/71/75/1013557175.db2.gz QJNIVBMNYAYFHT-JPYJTQIMSA-N 2 0 415.603 3.563 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000054037564 965366139 /nfs/dbraw/zinc/36/61/39/965366139.db2.gz NYOMGEMIRMDLNA-RTBURBONSA-N 2 0 400.523 3.536 20 0 HHADRP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889267 965573132 /nfs/dbraw/zinc/57/31/32/965573132.db2.gz DXNAYZSYYQYERW-UHFFFAOYSA-N 2 0 403.636 3.955 20 0 HHADRP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513402 965713379 /nfs/dbraw/zinc/71/33/79/965713379.db2.gz LWJMVIZYNMISGT-VXKWHMMOSA-N 2 0 422.617 3.792 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059986350 966047029 /nfs/dbraw/zinc/04/70/29/966047029.db2.gz ZTSAJWAFJDMRSB-BGYRXZFFSA-N 2 0 400.611 3.707 20 0 HHADRP C[N@H+](CCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105036 /nfs/dbraw/zinc/10/50/36/966105036.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 2 0 419.491 3.689 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000060523924 966190434 /nfs/dbraw/zinc/19/04/34/966190434.db2.gz VHYYJTDTFCONFW-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000056522145 966362391 /nfs/dbraw/zinc/36/23/91/966362391.db2.gz YKJMOVGQOKHWAU-UHFFFAOYSA-N 2 0 400.336 3.581 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056846043 966490902 /nfs/dbraw/zinc/49/09/02/966490902.db2.gz JSNVESLLXWMOPF-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061550804 966497386 /nfs/dbraw/zinc/49/73/86/966497386.db2.gz MIMZXKWEZGVUQQ-DEOSSOPVSA-N 2 0 408.590 3.992 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000542752633 1013660314 /nfs/dbraw/zinc/66/03/14/1013660314.db2.gz DXTHIESPUOWEBV-HXUWFJFHSA-N 2 0 400.611 3.790 20 0 HHADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754938 1013661813 /nfs/dbraw/zinc/66/18/13/1013661813.db2.gz IXIYLYACTNMSOA-HKUYNNGSSA-N 2 0 414.516 3.681 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000062252999 966632244 /nfs/dbraw/zinc/63/22/44/966632244.db2.gz CSZVAXBXWNMRIK-SFTDATJTSA-N 2 0 419.573 3.913 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528284 966698419 /nfs/dbraw/zinc/69/84/19/966698419.db2.gz BAJAKUHQJAJTQD-UHFFFAOYSA-N 2 0 418.601 3.944 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063150066 966762916 /nfs/dbraw/zinc/76/29/16/966762916.db2.gz CMGSIGLMVGEFAF-UHFFFAOYSA-N 2 0 402.652 3.578 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000538112220 1013675337 /nfs/dbraw/zinc/67/53/37/1013675337.db2.gz DBKHLVVPSPIVBV-IBGZPJMESA-N 2 0 422.411 3.653 20 0 HHADRP Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441710 966858400 /nfs/dbraw/zinc/85/84/00/966858400.db2.gz MDIVTSAWUZSLRT-UHFFFAOYSA-O 2 0 422.618 3.784 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929004 966870978 /nfs/dbraw/zinc/87/09/78/966870978.db2.gz VARMHQVMFKASNR-UHFFFAOYSA-N 2 0 408.590 3.991 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000043522941 966991654 /nfs/dbraw/zinc/99/16/54/966991654.db2.gz PVVXXCPQLGSDQO-UHFFFAOYSA-N 2 0 401.599 3.523 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)c(C)c2)CC1 ZINC000043522954 966991956 /nfs/dbraw/zinc/99/19/56/966991956.db2.gz AVFFFKYBJHOSIC-HXUWFJFHSA-N 2 0 415.607 3.623 20 0 HHADRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)C(C)C ZINC000043877122 967065882 /nfs/dbraw/zinc/06/58/82/967065882.db2.gz MNXPPSRZOJZEHU-HSZRJFAPSA-N 2 0 413.610 3.567 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000064229596 967095184 /nfs/dbraw/zinc/09/51/84/967095184.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 2 0 408.590 3.864 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000065466379 967479837 /nfs/dbraw/zinc/47/98/37/967479837.db2.gz PKXVVTRSKPOVIN-DEOSSOPVSA-N 2 0 408.590 3.824 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000045757756 967548258 /nfs/dbraw/zinc/54/82/58/967548258.db2.gz QVVSUMNUKAEMLP-OAQYLSRUSA-N 2 0 400.611 3.913 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045981856 967618134 /nfs/dbraw/zinc/61/81/34/967618134.db2.gz FEMBAZYUFKQBHH-UHFFFAOYSA-N 2 0 406.574 3.700 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000046123487 967668785 /nfs/dbraw/zinc/66/87/85/967668785.db2.gz LQMOTLKQYYBPGX-NHCUHLMSSA-N 2 0 412.622 3.934 20 0 HHADRP O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226332 1013775523 /nfs/dbraw/zinc/77/55/23/1013775523.db2.gz PQAJTLSASWUTKG-NOZRDPDXSA-N 2 0 421.585 3.656 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047400561 968176402 /nfs/dbraw/zinc/17/64/02/968176402.db2.gz NURBSEZHGNCBTI-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000554071685 1013785037 /nfs/dbraw/zinc/78/50/37/1013785037.db2.gz MHKBNQAJLGIIAS-UYAOXDASSA-N 2 0 400.485 3.757 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777647 968309575 /nfs/dbraw/zinc/30/95/75/968309575.db2.gz MVFWRZPMRXECAM-QFIPXVFZSA-N 2 0 410.562 3.902 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000096626714 969048878 /nfs/dbraw/zinc/04/88/78/969048878.db2.gz MLHKKCVZDCVZPL-JOCHJYFZSA-N 2 0 409.549 3.819 20 0 HHADRP O=C(N1CC[NH+](C2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110165136 969632330 /nfs/dbraw/zinc/63/23/30/969632330.db2.gz PPDGBNVAUFMTIA-NRFANRHFSA-N 2 0 409.496 3.528 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195720496 969980953 /nfs/dbraw/zinc/98/09/53/969980953.db2.gz YFQULKSMJKKNHF-RPWUZVMVSA-N 2 0 424.589 3.743 20 0 HHADRP c1cn(-c2ccc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)cn1 ZINC000236698590 970157507 /nfs/dbraw/zinc/15/75/07/970157507.db2.gz REARAAKCBUDYFC-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP CC1(C)Cc2cccc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)c2O1 ZINC000236700641 970158653 /nfs/dbraw/zinc/15/86/53/970158653.db2.gz BDADUAXETJHCBB-UHFFFAOYSA-N 2 0 407.558 3.516 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000236802819 970174671 /nfs/dbraw/zinc/17/46/71/970174671.db2.gz QUUYUOZARNFEMW-UHFFFAOYSA-N 2 0 422.495 3.845 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000236814964 970175657 /nfs/dbraw/zinc/17/56/57/970175657.db2.gz XQEQQTPSELGVGW-UHFFFAOYSA-N 2 0 407.537 3.833 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000236945896 970192653 /nfs/dbraw/zinc/19/26/53/970192653.db2.gz LUTNXYOBMZZNLF-UHFFFAOYSA-N 2 0 412.525 3.946 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000236972803 970196780 /nfs/dbraw/zinc/19/67/80/970196780.db2.gz UUSIALMNLRQGTE-INIZCTEOSA-N 2 0 424.420 3.662 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000236977518 970197937 /nfs/dbraw/zinc/19/79/37/970197937.db2.gz SAZXOPQISMQOOQ-MRXNPFEDSA-N 2 0 406.368 3.825 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)CC1 ZINC000237070642 970217319 /nfs/dbraw/zinc/21/73/19/970217319.db2.gz GIYYJPLGJKXDHR-QFIPXVFZSA-N 2 0 422.013 3.546 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000237084209 970219556 /nfs/dbraw/zinc/21/95/56/970219556.db2.gz WUHZSVNLLXXKDS-UHFFFAOYSA-N 2 0 403.574 3.575 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237166556 970234016 /nfs/dbraw/zinc/23/40/16/970234016.db2.gz PPNCOLHMVDHVHQ-UHFFFAOYSA-N 2 0 424.420 3.662 20 0 HHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)o1 ZINC000237177487 970235759 /nfs/dbraw/zinc/23/57/59/970235759.db2.gz LEMLODPDQGPKEK-UHFFFAOYSA-N 2 0 409.505 3.975 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000237204992 970241313 /nfs/dbraw/zinc/24/13/13/970241313.db2.gz MMJIUBFRJLMVSX-UHFFFAOYSA-N 2 0 424.545 3.758 20 0 HHADRP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000237306761 970259001 /nfs/dbraw/zinc/25/90/01/970259001.db2.gz HVYDGCDWBMQXLH-UHFFFAOYSA-N 2 0 410.345 3.583 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000237391288 970276555 /nfs/dbraw/zinc/27/65/55/970276555.db2.gz JHQJTCGBKBNNME-LJQANCHMSA-N 2 0 410.558 3.961 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540715 1013974052 /nfs/dbraw/zinc/97/40/52/1013974052.db2.gz FMGXGZHMWJYQCE-ACIOBRDBSA-N 2 0 406.574 3.514 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C[C@@H](C)O1 ZINC000237571296 970315119 /nfs/dbraw/zinc/31/51/19/970315119.db2.gz OUIXNCSCYFOAKB-HZPDHXFCSA-N 2 0 403.548 3.518 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000147169407 970321171 /nfs/dbraw/zinc/32/11/71/970321171.db2.gz QWTXEUKGNLTCMG-FQEVSTJZSA-N 2 0 400.592 3.562 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237685074 970338794 /nfs/dbraw/zinc/33/87/94/970338794.db2.gz MWOHPWMBQZYQNX-IBGZPJMESA-N 2 0 404.986 3.777 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774408 970363585 /nfs/dbraw/zinc/36/35/85/970363585.db2.gz OUIXNCSCYFOAKB-IYBDPMFKSA-N 2 0 403.548 3.518 20 0 HHADRP Clc1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237803166 970370174 /nfs/dbraw/zinc/37/01/74/970370174.db2.gz SSBJYTSYBKIDEM-UHFFFAOYSA-N 2 0 411.981 3.675 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000237856423 970383211 /nfs/dbraw/zinc/38/32/11/970383211.db2.gz JZUJTDYJZKIDOS-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000238071553 970434640 /nfs/dbraw/zinc/43/46/40/970434640.db2.gz WPNPNKYDUFPHJZ-UHFFFAOYSA-N 2 0 414.553 3.715 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195563032 970514702 /nfs/dbraw/zinc/51/47/02/970514702.db2.gz IEPQJRKQSOQYSO-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725783 972619134 /nfs/dbraw/zinc/61/91/34/972619134.db2.gz NPCMUGMQGUTCNW-CEMLEFRQSA-N 2 0 417.594 3.513 20 0 HHADRP Brc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506254 972627113 /nfs/dbraw/zinc/62/71/13/972627113.db2.gz MRWJUTNPVCQYJT-QGZVFWFLSA-N 2 0 417.347 3.832 20 0 HHADRP OC1(C[NH2+]Cc2ccc(Br)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397552288 972871799 /nfs/dbraw/zinc/87/17/99/972871799.db2.gz YAAPSGGILIZRFS-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397500447 972871849 /nfs/dbraw/zinc/87/18/49/972871849.db2.gz WUGRWWRXMKGPCK-UHFFFAOYSA-N 2 0 406.979 3.745 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311121 973852868 /nfs/dbraw/zinc/85/28/68/973852868.db2.gz SKYWLEWORUBWBQ-FGZHOGPDSA-N 2 0 414.638 3.751 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000410328049 973892436 /nfs/dbraw/zinc/89/24/36/973892436.db2.gz UFFZQAKNYPKBRY-OAQYLSRUSA-N 2 0 420.601 3.705 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000410330862 973904462 /nfs/dbraw/zinc/90/44/62/973904462.db2.gz RAUCDCDKTCKMNM-UHFFFAOYSA-N 2 0 400.611 3.913 20 0 HHADRP C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000410404254 974003965 /nfs/dbraw/zinc/00/39/65/974003965.db2.gz FQDYMVPFXXNZDE-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000425975746 974082537 /nfs/dbraw/zinc/08/25/37/974082537.db2.gz CWHVIYCZFSUHLF-SFHVURJKSA-N 2 0 420.564 3.947 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993083 974105807 /nfs/dbraw/zinc/10/58/07/974105807.db2.gz AIHAADAYDBLMDC-ROUUACIJSA-N 2 0 406.537 3.557 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422315 974440218 /nfs/dbraw/zinc/44/02/18/974440218.db2.gz VMCVFSKSGITBQN-FQEVSTJZSA-N 2 0 411.590 3.649 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769390 974646081 /nfs/dbraw/zinc/64/60/81/974646081.db2.gz ILXBTJANDXYMPU-HDICACEKSA-N 2 0 405.558 3.674 20 0 HHADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426837505 974701776 /nfs/dbraw/zinc/70/17/76/974701776.db2.gz YHSIZKDUDQZSNH-ZCNNSNEGSA-N 2 0 419.585 3.556 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884844 974731001 /nfs/dbraw/zinc/73/10/01/974731001.db2.gz WIWDXIKTPYSSPV-LSTHTHJFSA-N 2 0 409.496 3.831 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)C[C@H](C)O1 ZINC000427342593 975065468 /nfs/dbraw/zinc/06/54/68/975065468.db2.gz QAIBSQUCSOGBIH-BGYRXZFFSA-N 2 0 422.573 3.599 20 0 HHADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000428233814 975553155 /nfs/dbraw/zinc/55/31/55/975553155.db2.gz USPILPOFVBLRPK-UBFVSLLYSA-N 2 0 405.586 3.869 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428856517 976146910 /nfs/dbraw/zinc/14/69/10/976146910.db2.gz NILJXYSBCAISAV-JTHBVZDNSA-N 2 0 400.611 3.995 20 0 HHADRP Cc1cc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000429334119 976598323 /nfs/dbraw/zinc/59/83/23/976598323.db2.gz WGEQPDBUTRALOM-XMMPIXPASA-N 2 0 424.593 3.634 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429434246 976713258 /nfs/dbraw/zinc/71/32/58/976713258.db2.gz HKHIFWCIWSTMAH-OAHLLOKOSA-N 2 0 410.967 3.535 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494175 976752181 /nfs/dbraw/zinc/75/21/81/976752181.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 2 0 400.611 3.584 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000430010810 977269365 /nfs/dbraw/zinc/26/93/65/977269365.db2.gz FEDORDSKGWEJNL-UHFFFAOYSA-N 2 0 419.573 3.573 20 0 HHADRP COc1ccccc1-c1ncc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000430242685 977414034 /nfs/dbraw/zinc/41/40/34/977414034.db2.gz SHCKZNGALKLHAV-WOJBJXKFSA-N 2 0 424.589 3.864 20 0 HHADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430910130 977877123 /nfs/dbraw/zinc/87/71/23/977877123.db2.gz RSFRNPJVKCFHMJ-LJQANCHMSA-N 2 0 418.601 3.589 20 0 HHADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000430945566 977906225 /nfs/dbraw/zinc/90/62/25/977906225.db2.gz RRFUNNSWRXMVOO-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951431 977909971 /nfs/dbraw/zinc/90/99/71/977909971.db2.gz LINIIZBMAUVNBF-OAQYLSRUSA-N 2 0 418.670 3.510 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431056863 977986205 /nfs/dbraw/zinc/98/62/05/977986205.db2.gz FPCDKRZROBBKJN-KNQAVFIVSA-N 2 0 410.562 3.802 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccsc1 ZINC000431131046 978038365 /nfs/dbraw/zinc/03/83/65/978038365.db2.gz YCJIKFIPSODZGE-IBGZPJMESA-N 2 0 418.611 3.724 20 0 HHADRP Cc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431144772 978047828 /nfs/dbraw/zinc/04/78/28/978047828.db2.gz UPLHOKXUBOVYGY-LJQANCHMSA-N 2 0 424.593 3.805 20 0 HHADRP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150614 978051720 /nfs/dbraw/zinc/05/17/20/978051720.db2.gz GRCPKJSSPAJKRK-PZJWPPBQSA-N 2 0 424.593 3.633 20 0 HHADRP CCN(C(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393197 978267251 /nfs/dbraw/zinc/26/72/51/978267251.db2.gz SBDJVPUVWILKHU-OAQYLSRUSA-N 2 0 420.686 3.684 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000431431045 978294063 /nfs/dbraw/zinc/29/40/63/978294063.db2.gz DPNPZRVTWOWZNG-UHFFFAOYSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699931 978444255 /nfs/dbraw/zinc/44/42/55/978444255.db2.gz SXTDTZPFAJKYJG-OFNKIYASSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746197 978478277 /nfs/dbraw/zinc/47/82/77/978478277.db2.gz UFZGTMFQFQIJIV-XMMPIXPASA-N 2 0 412.622 3.502 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000431782241 978509326 /nfs/dbraw/zinc/50/93/26/978509326.db2.gz FNAPJUGFKBPHRI-UHFFFAOYSA-N 2 0 420.601 3.946 20 0 HHADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786611 978512943 /nfs/dbraw/zinc/51/29/43/978512943.db2.gz SZVNIOMHAMQKNE-JPYJTQIMSA-N 2 0 416.585 3.552 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCCC[C@H]1C ZINC000431808932 978529239 /nfs/dbraw/zinc/52/92/39/978529239.db2.gz LISXFNKGBKAMRT-YADHBBJMSA-N 2 0 412.622 3.947 20 0 HHADRP C[N@H+](CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1 ZINC000431862860 978558526 /nfs/dbraw/zinc/55/85/26/978558526.db2.gz ZORBOMJMOPOPPB-UHFFFAOYSA-N 2 0 420.601 3.816 20 0 HHADRP C[NH+](C)CC1(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCC1 ZINC000431919968 978601444 /nfs/dbraw/zinc/60/14/44/978601444.db2.gz FFDAUFGXSHCTDE-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP COc1cc(C[NH+]2CCC[C@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824444 978985758 /nfs/dbraw/zinc/98/57/58/978985758.db2.gz SYGYEGLSEZMZKM-VRUIKYSZSA-N 2 0 414.590 3.697 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc2C1 ZINC000433061017 979055058 /nfs/dbraw/zinc/05/50/58/979055058.db2.gz NOOJANQGYAVXPM-UHFFFAOYSA-N 2 0 403.570 3.559 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433192215 979131727 /nfs/dbraw/zinc/13/17/27/979131727.db2.gz KEKCSXOYMIOGIB-DEOSSOPVSA-N 2 0 424.585 3.561 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433366006 979258091 /nfs/dbraw/zinc/25/80/91/979258091.db2.gz NJVJQSNAULLCAQ-HRAATJIYSA-N 2 0 403.929 3.964 20 0 HHADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449240 980188622 /nfs/dbraw/zinc/18/86/22/980188622.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 2 0 409.496 3.574 20 0 HHADRP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435692777 980989335 /nfs/dbraw/zinc/98/93/35/980989335.db2.gz KBUMESRYOUCMJG-HSZRJFAPSA-N 2 0 417.557 3.952 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)c2)C1 ZINC000436227602 981259318 /nfs/dbraw/zinc/25/93/18/981259318.db2.gz MPAKCKOJJDNPDK-SDUSCBPUSA-N 2 0 405.586 3.885 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448212837 981627156 /nfs/dbraw/zinc/62/71/56/981627156.db2.gz MEQYXFXDBNBHBM-IPJJNNNSSA-N 2 0 416.635 3.618 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448213679 981627836 /nfs/dbraw/zinc/62/78/36/981627836.db2.gz NGRWJUMYLRBBQX-UPVQGACJSA-N 2 0 410.606 3.831 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)C1 ZINC000448369638 981729071 /nfs/dbraw/zinc/72/90/71/981729071.db2.gz APLMSQIIOZJWSA-VQTJNVASSA-N 2 0 402.583 3.569 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)C1 ZINC000448460850 981794526 /nfs/dbraw/zinc/79/45/26/981794526.db2.gz GLOLSTOIAWORNK-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000448462492 981796282 /nfs/dbraw/zinc/79/62/82/981796282.db2.gz UOCVMCQUEQTSMB-FQEVSTJZSA-N 2 0 421.029 3.972 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448519929 981848810 /nfs/dbraw/zinc/84/88/10/981848810.db2.gz GRHRPPPGXFAHBV-LFSJDZJKSA-N 2 0 424.633 3.801 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348085 982119683 /nfs/dbraw/zinc/11/96/83/982119683.db2.gz OHGNULMKFDOMLA-GZOXUSKESA-N 2 0 422.573 3.698 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000437765327 982342994 /nfs/dbraw/zinc/34/29/94/982342994.db2.gz ONZMYYKJOUYBLT-NRFANRHFSA-N 2 0 410.562 3.613 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000437952098 982483125 /nfs/dbraw/zinc/48/31/25/982483125.db2.gz XDAAGLAZIHVORH-OAHLLOKOSA-N 2 0 404.452 3.724 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438083892 982578374 /nfs/dbraw/zinc/57/83/74/982578374.db2.gz WWWYYIHCLYCBRF-JOCHJYFZSA-N 2 0 416.635 3.664 20 0 HHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000438185810 982639255 /nfs/dbraw/zinc/63/92/55/982639255.db2.gz FEUIVFPTYBCZJR-NOOIUNMQSA-N 2 0 405.586 3.984 20 0 HHADRP COc1ccc2sc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c(C)c2c1 ZINC000460909588 982645136 /nfs/dbraw/zinc/64/51/36/982645136.db2.gz ZSAMTQGPSVJSSD-UHFFFAOYSA-N 2 0 424.570 3.555 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000438529545 982867869 /nfs/dbraw/zinc/86/78/69/982867869.db2.gz AEWMHZZTEPRSLQ-UHFFFAOYSA-N 2 0 403.617 3.501 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461209933 982923544 /nfs/dbraw/zinc/92/35/44/982923544.db2.gz CKFKKXNVYFYDHO-OXCBMLQPSA-N 2 0 420.601 3.841 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000461226597 982936398 /nfs/dbraw/zinc/93/63/98/982936398.db2.gz AQCBDPDOORZASR-NRFANRHFSA-N 2 0 411.512 3.679 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438635009 982954260 /nfs/dbraw/zinc/95/42/60/982954260.db2.gz ZTWAZBDKSQEIAA-KRWDZBQOSA-N 2 0 400.489 3.671 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000438849933 983116495 /nfs/dbraw/zinc/11/64/95/983116495.db2.gz LBZULOOPQNTPOE-UXHICEINSA-N 2 0 401.599 3.561 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000438849934 983116531 /nfs/dbraw/zinc/11/65/31/983116531.db2.gz LBZULOOPQNTPOE-VQTJNVASSA-N 2 0 401.599 3.561 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000439199516 983307194 /nfs/dbraw/zinc/30/71/94/983307194.db2.gz OBVKEBPWUMSWCK-UHFFFAOYSA-N 2 0 400.592 3.617 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+](C)C)cc1 ZINC000439261159 983336321 /nfs/dbraw/zinc/33/63/21/983336321.db2.gz QMOSSGYYHGZKST-OAQYLSRUSA-N 2 0 402.608 3.687 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000439448457 983414294 /nfs/dbraw/zinc/41/42/94/983414294.db2.gz ZKPHOBPNPUZQJG-FPOVZHCZSA-N 2 0 414.619 3.874 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000440822863 983922569 /nfs/dbraw/zinc/92/25/69/983922569.db2.gz QNRVBWCRIRWANH-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192131 984107588 /nfs/dbraw/zinc/10/75/88/984107588.db2.gz DBFPHCKDYHROIO-FGCOXFRFSA-N 2 0 407.558 3.866 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1(C)C ZINC000441381734 984220681 /nfs/dbraw/zinc/22/06/81/984220681.db2.gz JBWPOQIQPDCHFZ-UHFFFAOYSA-N 2 0 408.306 3.584 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461730524 984745012 /nfs/dbraw/zinc/74/50/12/984745012.db2.gz RQTJGSNSQKAHFQ-OAQYLSRUSA-N 2 0 408.590 3.813 20 0 HHADRP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000442247485 984769069 /nfs/dbraw/zinc/76/90/69/984769069.db2.gz DNRDMXKWDHDFJJ-NFXUCOAQSA-N 2 0 400.611 3.974 20 0 HHADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874811 985254067 /nfs/dbraw/zinc/25/40/67/985254067.db2.gz NYLCEDXCBVMHFA-CYBMUJFWSA-N 2 0 407.452 3.566 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462749556 985690927 /nfs/dbraw/zinc/69/09/27/985690927.db2.gz JQWDMCUBJGIPTQ-BJKOFHAPSA-N 2 0 412.622 3.949 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462749559 985691511 /nfs/dbraw/zinc/69/15/11/985691511.db2.gz JQWDMCUBJGIPTQ-ZEQRLZLVSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044541 985703098 /nfs/dbraw/zinc/70/30/98/985703098.db2.gz JHICHVRCRIEISF-JXFKEZNVSA-N 2 0 421.632 3.706 20 0 HHADRP C[C@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000462801726 985734380 /nfs/dbraw/zinc/73/43/80/985734380.db2.gz INTSJSAIWHPJME-QPPBQGQZSA-N 3 0 404.618 3.604 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(F)cc2)CC1 ZINC000462883807 985808103 /nfs/dbraw/zinc/80/81/03/985808103.db2.gz YABIQZXHGZVDNZ-XMMPIXPASA-N 3 0 404.618 3.606 20 0 HHADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000468362786 986061084 /nfs/dbraw/zinc/06/10/84/986061084.db2.gz BNTQPOWGYHTDSX-KTBYTZPXSA-N 2 0 408.590 3.899 20 0 HHADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000468377797 986077123 /nfs/dbraw/zinc/07/71/23/986077123.db2.gz RBFPWZVVRCDTSK-KTBYTZPXSA-N 2 0 408.590 3.899 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)cc1 ZINC000463114296 986077653 /nfs/dbraw/zinc/07/76/53/986077653.db2.gz FEXRDZTXXUDNGG-UHFFFAOYSA-N 2 0 413.528 3.914 20 0 HHADRP Cc1cccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000463139767 986108142 /nfs/dbraw/zinc/10/81/42/986108142.db2.gz IDORXCPWVWWGBK-SANMLTNESA-N 2 0 407.602 3.665 20 0 HHADRP Cc1cccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000463139766 986108389 /nfs/dbraw/zinc/10/83/89/986108389.db2.gz IDORXCPWVWWGBK-AREMUKBSSA-N 2 0 407.602 3.665 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1Cc1ccccc1 ZINC000463153211 986123961 /nfs/dbraw/zinc/12/39/61/986123961.db2.gz AUJQGDBIDVLFIR-BWKNWUBXSA-N 2 0 407.602 3.786 20 0 HHADRP c1ccc(CC[NH+]2CCC(NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244049 986211929 /nfs/dbraw/zinc/21/19/29/986211929.db2.gz SHQZPCZPKHQNFI-SANMLTNESA-N 2 0 407.602 3.574 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272486 986240301 /nfs/dbraw/zinc/24/03/01/986240301.db2.gz QNKIEUYDNREWLR-PXDATVDWSA-N 2 0 420.601 3.813 20 0 HHADRP Fc1ccc(N2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000463298604 986265947 /nfs/dbraw/zinc/26/59/47/986265947.db2.gz DQLPMQSPMMYTNI-VORXZUAXSA-N 2 0 422.592 3.733 20 0 HHADRP Cc1cnc(NC2CC[NH+](C(C)(C)C)CC2)nc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000444111445 986310904 /nfs/dbraw/zinc/31/09/04/986310904.db2.gz UMMCEZLZWGHZPV-UHFFFAOYSA-N 2 0 402.631 4.135 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000468628877 986346069 /nfs/dbraw/zinc/34/60/69/986346069.db2.gz RUAYOUIDBLFODC-UHFFFAOYSA-N 2 0 405.336 3.788 20 0 HHADRP O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444205264 986385701 /nfs/dbraw/zinc/38/57/01/986385701.db2.gz LVDYTEVMDQIJAL-QFIPXVFZSA-N 2 0 417.619 3.598 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000444460975 986642801 /nfs/dbraw/zinc/64/28/01/986642801.db2.gz MXMNFEWSPVMGET-DEOSSOPVSA-N 2 0 407.558 3.637 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000469039727 986749431 /nfs/dbraw/zinc/74/94/31/986749431.db2.gz PIFXHPNKOJVCBI-WIYYLYMNSA-N 2 0 412.544 3.537 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000469086130 986798968 /nfs/dbraw/zinc/79/89/68/986798968.db2.gz WPFQYQYYYDTFSF-DEOSSOPVSA-N 2 0 409.574 3.688 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469131250 986850326 /nfs/dbraw/zinc/85/03/26/986850326.db2.gz UBPOARZCRTVZDV-MIJOPJBOSA-N 2 0 403.368 3.819 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000469309736 987022209 /nfs/dbraw/zinc/02/22/09/987022209.db2.gz ZLOVZUOFURIAGC-CRAIPNDOSA-N 2 0 401.414 3.881 20 0 HHADRP C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469335987 987043247 /nfs/dbraw/zinc/04/32/47/987043247.db2.gz PBRBCTNOKWEPFB-BJKOFHAPSA-N 2 0 423.988 3.934 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1Br ZINC000469595256 987260341 /nfs/dbraw/zinc/26/03/41/987260341.db2.gz REULAPNIPJYHCK-MRXNPFEDSA-N 2 0 411.388 3.637 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000469765379 987417734 /nfs/dbraw/zinc/41/77/34/987417734.db2.gz TZFWZLDOJPWFIN-WOJBJXKFSA-N 2 0 419.569 3.809 20 0 HHADRP Cc1ccccc1C[C@H](C)NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469787779 987433165 /nfs/dbraw/zinc/43/31/65/987433165.db2.gz RERHLOUZDJHFRP-FKBYEOEOSA-N 2 0 407.602 3.788 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463956190 988068006 /nfs/dbraw/zinc/06/80/06/988068006.db2.gz XQOXNINHYXFBQB-ICSRJNTNSA-N 2 0 400.592 3.657 20 0 HHADRP Clc1ccc(Br)c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000464046229 988167047 /nfs/dbraw/zinc/16/70/47/988167047.db2.gz OVZABVNCDQTBTF-UHFFFAOYSA-N 2 0 423.786 3.799 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284904 988241817 /nfs/dbraw/zinc/24/18/17/988241817.db2.gz SAPSYLFZKAKGFM-QHCPKHFHSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470286163 988243019 /nfs/dbraw/zinc/24/30/19/988243019.db2.gz VYHKBBVCXFEIGQ-OALUTQOASA-N 2 0 412.500 3.578 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000470737614 988773382 /nfs/dbraw/zinc/77/33/82/988773382.db2.gz QOMQTUADAJAULA-FQEVSTJZSA-N 2 0 419.013 3.678 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1Cl ZINC000470737633 988773937 /nfs/dbraw/zinc/77/39/37/988773937.db2.gz QUEGCJXCKZRALR-GHTZIAJQSA-N 2 0 407.002 3.850 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739028 988776532 /nfs/dbraw/zinc/77/65/32/988776532.db2.gz XVVCOLICCJSKON-GOTSBHOMSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747941 988788515 /nfs/dbraw/zinc/78/85/15/988788515.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000470886806 988958699 /nfs/dbraw/zinc/95/86/99/988958699.db2.gz WZRDWHAZEJNVIV-XALAGWIPSA-N 2 0 410.606 3.555 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000470891238 988964032 /nfs/dbraw/zinc/96/40/32/988964032.db2.gz YTCBKFPRVCWMNX-ZVDOUQERSA-N 2 0 404.624 3.504 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)c(OCC)c2)CC1 ZINC000471171078 989297534 /nfs/dbraw/zinc/29/75/34/989297534.db2.gz YFKATYGHBGUNPS-UHFFFAOYSA-N 2 0 424.589 3.931 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471474745 989671125 /nfs/dbraw/zinc/67/11/25/989671125.db2.gz DSAQLRKARYSVDK-YADHBBJMSA-N 2 0 410.562 3.628 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407414 989753930 /nfs/dbraw/zinc/75/39/30/989753930.db2.gz MFURUTAPPFTVNN-PKTZIBPZSA-N 2 0 424.589 3.970 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407419 989753973 /nfs/dbraw/zinc/75/39/73/989753973.db2.gz MFURUTAPPFTVNN-XZOQPEGZSA-N 2 0 424.589 3.970 20 0 HHADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000471580301 989783953 /nfs/dbraw/zinc/78/39/53/989783953.db2.gz HOSHTAKWOZFYBZ-IBGZPJMESA-N 2 0 420.557 3.743 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000471588527 989792418 /nfs/dbraw/zinc/79/24/18/989792418.db2.gz CGQDMBYPMJQLHT-HSZRJFAPSA-N 2 0 420.601 3.781 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598682 989802198 /nfs/dbraw/zinc/80/21/98/989802198.db2.gz LRQSDICNEGRMQZ-ISKFKSNPSA-N 2 0 406.574 3.645 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617352 989821645 /nfs/dbraw/zinc/82/16/45/989821645.db2.gz GBRZTVMWLIYQQM-GXSHZHGVSA-N 2 0 412.622 3.518 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465534235 989895489 /nfs/dbraw/zinc/89/54/89/989895489.db2.gz PDGILSKUPZAVLE-YWHXQDJNSA-N 2 0 412.622 3.979 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000465558489 989923451 /nfs/dbraw/zinc/92/34/51/989923451.db2.gz QDLLPIHCLKKXQK-QHCPKHFHSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000465594673 989974802 /nfs/dbraw/zinc/97/48/02/989974802.db2.gz ILVQMJHWRDPQDZ-CTNGQTDRSA-N 2 0 404.599 3.592 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1csc2ccccc12 ZINC000465637422 990024276 /nfs/dbraw/zinc/02/42/76/990024276.db2.gz MLFMMEUUDZOLPL-LJQANCHMSA-N 2 0 402.608 3.501 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678637 990064037 /nfs/dbraw/zinc/06/40/37/990064037.db2.gz CHQVVULRQZMIOH-NZQKXSOJSA-N 2 0 412.553 3.592 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694784 990080823 /nfs/dbraw/zinc/08/08/23/990080823.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724758 990110202 /nfs/dbraw/zinc/11/02/02/990110202.db2.gz NZLLDKUGJTYJQT-JCTONOIOSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727259 990112610 /nfs/dbraw/zinc/11/26/10/990112610.db2.gz OYXYQOCJJPHJNB-VQTJNVASSA-N 2 0 424.511 3.744 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745803 990131015 /nfs/dbraw/zinc/13/10/15/990131015.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465753863 990140187 /nfs/dbraw/zinc/14/01/87/990140187.db2.gz KUGNDUZNKYXROR-XPNTWCBSSA-N 2 0 414.638 3.906 20 0 HHADRP C[C@H](CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009281 990177155 /nfs/dbraw/zinc/17/71/55/990177155.db2.gz MUTWESHYINPMMX-QPPBQGQZSA-N 2 0 408.590 3.718 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000465817612 990200872 /nfs/dbraw/zinc/20/08/72/990200872.db2.gz SZIRQIMRJLMBEF-XMMPIXPASA-N 2 0 408.590 3.802 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000465823515 990206636 /nfs/dbraw/zinc/20/66/36/990206636.db2.gz XWGXCSGALFCTEI-FCHUYYIVSA-N 2 0 412.578 3.826 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824628 990208729 /nfs/dbraw/zinc/20/87/29/990208729.db2.gz ZXVRZLWRABWGIO-LADGPHEKSA-N 2 0 408.590 3.761 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866416 990978081 /nfs/dbraw/zinc/97/80/81/990978081.db2.gz WDSMPGJGBJXBDI-IAGOWNOFSA-N 2 0 409.644 3.559 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465879381 990997734 /nfs/dbraw/zinc/99/77/34/990997734.db2.gz ZBPKVINZVGDMQD-REWPJTCUSA-N 2 0 400.611 3.503 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011494 991177238 /nfs/dbraw/zinc/17/72/38/991177238.db2.gz BTXCFJPPGUAPFH-VXKWHMMOSA-N 2 0 402.627 3.906 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCCCn2ccnc2C)CC1 ZINC000466017573 991184616 /nfs/dbraw/zinc/18/46/16/991184616.db2.gz OPVPAZNLIZVMKK-UHFFFAOYSA-N 2 0 418.973 3.589 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000466024545 991194101 /nfs/dbraw/zinc/19/41/01/991194101.db2.gz DBGUQKKTMYBEAV-LAUBAEHRSA-N 2 0 418.582 3.831 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073885 991246505 /nfs/dbraw/zinc/24/65/05/991246505.db2.gz FLFWDCXWNFMOCO-QUCCMNQESA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073658 991246717 /nfs/dbraw/zinc/24/67/17/991246717.db2.gz DKIVWGXNWBAVJW-SFHLNBCPSA-N 2 0 404.624 3.695 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466199557 991396790 /nfs/dbraw/zinc/39/67/90/991396790.db2.gz FDTYNGBGHCYSLR-DVECYGJZSA-N 2 0 424.564 3.752 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466289122 991538199 /nfs/dbraw/zinc/53/81/99/991538199.db2.gz TXKKXEFOMWEQMS-QDSKXPNFSA-N 2 0 412.622 3.945 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466295929 991546339 /nfs/dbraw/zinc/54/63/39/991546339.db2.gz FFUVQMPNKQWQGW-OAQYLSRUSA-N 2 0 407.002 3.678 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466525164 991820492 /nfs/dbraw/zinc/82/04/92/991820492.db2.gz GIJQWQRWPMPMAT-URXFXBBRSA-N 2 0 420.601 3.955 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000466541535 991847299 /nfs/dbraw/zinc/84/72/99/991847299.db2.gz RQQANMVALIPJKB-IRLDBZIGSA-N 2 0 421.589 3.613 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466783728 992091384 /nfs/dbraw/zinc/09/13/84/992091384.db2.gz ZQVQVALMZYVVKJ-YKSBVNFPSA-N 2 0 408.590 3.643 20 0 HHADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466928802 992241203 /nfs/dbraw/zinc/24/12/03/992241203.db2.gz IVYMPDOEFTWVKI-QFIPXVFZSA-N 2 0 418.622 3.609 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000466930228 992242822 /nfs/dbraw/zinc/24/28/22/992242822.db2.gz WWFRFFVUTQTNRF-HXUWFJFHSA-N 2 0 409.574 3.594 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467208226 992533177 /nfs/dbraw/zinc/53/31/77/992533177.db2.gz RSWBPDFVHKBFDI-LEWJYISDSA-N 2 0 423.601 3.982 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccnn1-c1ccccc1 ZINC000467336849 992658193 /nfs/dbraw/zinc/65/81/93/992658193.db2.gz RVAQEWMVPKWPOS-HXUWFJFHSA-N 2 0 417.557 3.549 20 0 HHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000467360425 992678978 /nfs/dbraw/zinc/67/89/78/992678978.db2.gz UPFUECOXDAUHBA-INIZCTEOSA-N 2 0 407.480 3.718 20 0 HHADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361880 992680518 /nfs/dbraw/zinc/68/05/18/992680518.db2.gz KJWZQGRKTWBAQQ-ZKMPZPQNSA-N 2 0 403.570 3.575 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468095 992760469 /nfs/dbraw/zinc/76/04/69/992760469.db2.gz QLLLDIWHNRNYLF-PZJWPPBQSA-N 2 0 410.562 3.720 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000467585196 992860865 /nfs/dbraw/zinc/86/08/65/992860865.db2.gz ZVPRANZTZWTBBX-UXHICEINSA-N 2 0 402.583 3.886 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@@H](C)N3CCOCC3)cc1)CC2 ZINC000467695372 992951835 /nfs/dbraw/zinc/95/18/35/992951835.db2.gz QXKLKWDWDHPDMQ-QIJUGHKUSA-N 2 0 400.567 3.559 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114741 993166083 /nfs/dbraw/zinc/16/60/83/993166083.db2.gz HHYZANCUXCQODG-TUSQITKMSA-N 2 0 420.601 3.718 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1c1ccccc1 ZINC000472116375 993167981 /nfs/dbraw/zinc/16/79/81/993167981.db2.gz XIJMQZFUDGIYMM-NTFDOXNWSA-N 2 0 424.511 3.536 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472311385 993322816 /nfs/dbraw/zinc/32/28/16/993322816.db2.gz IEFDHTKBTNCZPJ-DNQXCXABSA-N 2 0 412.622 3.806 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486001 993488669 /nfs/dbraw/zinc/48/86/69/993488669.db2.gz ILQOJNDGVPZMOK-LADGPHEKSA-N 2 0 423.605 3.537 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000472599812 993555623 /nfs/dbraw/zinc/55/56/23/993555623.db2.gz WFTPVUNWZBKDAA-UHFFFAOYSA-N 2 0 408.428 3.829 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897583 993755320 /nfs/dbraw/zinc/75/53/20/993755320.db2.gz LKIGWFJVQHWXKC-GOSISDBHSA-N 2 0 406.574 3.515 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000480905559 993761473 /nfs/dbraw/zinc/76/14/73/993761473.db2.gz APMXMIOCKFOEHS-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C[NH+]1CCCCC1 ZINC000480909957 993765797 /nfs/dbraw/zinc/76/57/97/993765797.db2.gz LLCDDAZPLUBUBI-OALUTQOASA-N 2 0 419.591 3.531 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000480914403 993769471 /nfs/dbraw/zinc/76/94/71/993769471.db2.gz QDLQLRDUZDUXHP-NRFANRHFSA-N 2 0 403.574 3.530 20 0 HHADRP C[C@H](CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000473024565 993943290 /nfs/dbraw/zinc/94/32/90/993943290.db2.gz FVDMADOGBRIZNB-HXUWFJFHSA-N 2 0 412.578 3.796 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000473063208 993984079 /nfs/dbraw/zinc/98/40/79/993984079.db2.gz OLQLCRACWSANCT-FQEVSTJZSA-N 2 0 421.564 3.794 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175825 994005381 /nfs/dbraw/zinc/00/53/81/994005381.db2.gz NBCYFZXPZMHGHD-VQIMIIECSA-N 2 0 401.938 3.787 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175817 994005446 /nfs/dbraw/zinc/00/54/46/994005446.db2.gz NBCYFZXPZMHGHD-LPHOPBHVSA-N 2 0 401.938 3.787 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175813 994005708 /nfs/dbraw/zinc/00/57/08/994005708.db2.gz NBCYFZXPZMHGHD-APWZRJJASA-N 2 0 401.938 3.787 20 0 HHADRP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481202466 994036563 /nfs/dbraw/zinc/03/65/63/994036563.db2.gz SNVDDLNEQGNZKD-KOTUNDQASA-N 2 0 424.585 3.968 20 0 HHADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000481259309 994080778 /nfs/dbraw/zinc/08/07/78/994080778.db2.gz ZPWPMUIWVHLACH-IBGZPJMESA-N 2 0 403.368 3.837 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331356 994150273 /nfs/dbraw/zinc/15/02/73/994150273.db2.gz PFDAAOAQHRJVIA-GBXCKJPGSA-N 2 0 423.605 3.950 20 0 HHADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502558 994350865 /nfs/dbraw/zinc/35/08/65/994350865.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 2 0 415.626 3.599 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539121 994370537 /nfs/dbraw/zinc/37/05/37/994370537.db2.gz YESLOLNDKQKKNC-WZONZLPQSA-N 2 0 411.546 3.595 20 0 HHADRP Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000473619633 994502148 /nfs/dbraw/zinc/50/21/48/994502148.db2.gz DJUSGGIMDPERRH-UHFFFAOYSA-N 2 0 402.583 3.854 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000481723424 994583342 /nfs/dbraw/zinc/58/33/42/994583342.db2.gz BAFNDZZQZUTGEG-MRXNPFEDSA-N 2 0 407.605 3.682 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835362 994768944 /nfs/dbraw/zinc/76/89/44/994768944.db2.gz KMBZMZXDVNAMKI-NZQKXSOJSA-N 2 0 421.589 3.786 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000473840812 994776493 /nfs/dbraw/zinc/77/64/93/994776493.db2.gz QPBYOYKHAVVNAL-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481907031 994778977 /nfs/dbraw/zinc/77/89/77/994778977.db2.gz GRCXKAQINAAHDC-LOSJGSFVSA-N 2 0 420.601 3.944 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932189 994803941 /nfs/dbraw/zinc/80/39/41/994803941.db2.gz MQLKSSSQIVLDII-SXLOBPIMSA-N 2 0 410.002 3.654 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000473881335 994828544 /nfs/dbraw/zinc/82/85/44/994828544.db2.gz CFBAVGVKWSHPND-DBXWQHBBSA-N 2 0 414.619 3.807 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000473945372 994922086 /nfs/dbraw/zinc/92/20/86/994922086.db2.gz PAAGSQLSJDAZGR-GZOXUSKESA-N 2 0 408.590 3.704 20 0 HHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482110462 995057313 /nfs/dbraw/zinc/05/73/13/995057313.db2.gz OTNCRZSWCIGECR-OAQYLSRUSA-N 2 0 400.954 3.751 20 0 HHADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125404 995074643 /nfs/dbraw/zinc/07/46/43/995074643.db2.gz VAPNQTVSAONKKN-HYBUGGRVSA-N 2 0 409.574 3.511 20 0 HHADRP COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc2OC)o1 ZINC000482197287 995175560 /nfs/dbraw/zinc/17/55/60/995175560.db2.gz HOAUNDGINOZQJH-MSOLQXFVSA-N 2 0 416.518 3.616 20 0 HHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000482236571 995219757 /nfs/dbraw/zinc/21/97/57/995219757.db2.gz BDSAVHDNRQKUDR-HXUWFJFHSA-N 2 0 409.574 3.891 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000482256437 995234018 /nfs/dbraw/zinc/23/40/18/995234018.db2.gz HGBKQQCLFOYPAS-JOCHJYFZSA-N 2 0 402.510 3.786 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)C[C@H](C)O1 ZINC000474276518 995272139 /nfs/dbraw/zinc/27/21/39/995272139.db2.gz JYPQXFBBPKMZCY-ROUUACIJSA-N 2 0 417.985 3.632 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000474277555 995273557 /nfs/dbraw/zinc/27/35/57/995273557.db2.gz MHUNQAWCPIRSOX-OALUTQOASA-N 2 0 400.542 3.723 20 0 HHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000482349100 995327849 /nfs/dbraw/zinc/32/78/49/995327849.db2.gz HOZVEVFFLOWHJD-KRWDZBQOSA-N 2 0 404.002 3.758 20 0 HHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482437287 995430817 /nfs/dbraw/zinc/43/08/17/995430817.db2.gz DDZGBGFPWAGDHL-IBGZPJMESA-N 2 0 418.010 3.859 20 0 HHADRP COc1ccc2cc([C@@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)ccc2c1 ZINC000482437361 995430881 /nfs/dbraw/zinc/43/08/81/995430881.db2.gz DHHIINBMSCFUPC-HXUWFJFHSA-N 2 0 419.573 3.891 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000474473238 995434162 /nfs/dbraw/zinc/43/41/62/995434162.db2.gz UBFLMSLLZZGRLD-KDURUIRLSA-N 2 0 408.521 3.910 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000474474603 995435224 /nfs/dbraw/zinc/43/52/24/995435224.db2.gz WYZYEKYSAWHERQ-WABOPAKDSA-N 2 0 402.579 3.897 20 0 HHADRP Cn1cc(-c2ncc(C[NH2+]Cc3ccccc3-c3ccc(C[NH+](C)C)cc3)cn2)cn1 ZINC000474482375 995440033 /nfs/dbraw/zinc/44/00/33/995440033.db2.gz KVXXLUJNKGVIKW-UHFFFAOYSA-N 2 0 412.541 3.896 20 0 HHADRP Clc1cccc2c1OCCC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482449001 995447981 /nfs/dbraw/zinc/44/79/81/995447981.db2.gz HIGNSZKGKJXKJS-HXUWFJFHSA-N 2 0 415.969 3.536 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000474510093 995470679 /nfs/dbraw/zinc/47/06/79/995470679.db2.gz KDKBNOHUZMFZAR-NPHXMPSESA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000482506980 995517423 /nfs/dbraw/zinc/51/74/23/995517423.db2.gz JGDUUNICWHCGEV-MSOLQXFVSA-N 2 0 404.002 3.758 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000482506982 995517557 /nfs/dbraw/zinc/51/75/57/995517557.db2.gz JGDUUNICWHCGEV-QZTJIDSGSA-N 2 0 404.002 3.758 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482508886 995519186 /nfs/dbraw/zinc/51/91/86/995519186.db2.gz KAEUIDYIXYTEPE-QAPCUYQASA-N 2 0 412.441 3.849 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528848 995537245 /nfs/dbraw/zinc/53/72/45/995537245.db2.gz AGTVPTJRBUHKHQ-GCJKJVERSA-N 2 0 417.956 3.940 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482554539 995561200 /nfs/dbraw/zinc/56/12/00/995561200.db2.gz KZCMMVKVECDQOV-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482554544 995561220 /nfs/dbraw/zinc/56/12/20/995561220.db2.gz KZCMMVKVECDQOV-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482635701 995629903 /nfs/dbraw/zinc/62/99/03/995629903.db2.gz VTZTWMMASDBBBR-APWZRJJASA-N 2 0 408.571 3.844 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000482698719 995689120 /nfs/dbraw/zinc/68/91/20/995689120.db2.gz ZRCULOGCEYIBTR-UHFFFAOYSA-N 2 0 418.029 3.939 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837319 995782446 /nfs/dbraw/zinc/78/24/46/995782446.db2.gz JFLPRGGTXVSZRN-WXFUMESZSA-N 2 0 412.622 3.660 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000482911037 995839677 /nfs/dbraw/zinc/83/96/77/995839677.db2.gz LMPQZGXQJFYACV-OAQYLSRUSA-N 2 0 401.620 3.519 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012539 995868818 /nfs/dbraw/zinc/86/88/18/995868818.db2.gz IPTBVZKADYIMAH-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475015434 995871205 /nfs/dbraw/zinc/87/12/05/995871205.db2.gz IAIGUDNYAIFXFO-LJQANCHMSA-N 2 0 407.480 3.949 20 0 HHADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050306 995891673 /nfs/dbraw/zinc/89/16/73/995891673.db2.gz VARZNOKRQIAYDB-WIYYLYMNSA-N 2 0 411.512 3.936 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117555 995933098 /nfs/dbraw/zinc/93/30/98/995933098.db2.gz HJUIGOCAJLCWDK-RCZVLFRGSA-N 2 0 410.606 3.701 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC(C)(C)CC[NH+]3CCCCCC3)CCCC2)CC1 ZINC000483034905 995933223 /nfs/dbraw/zinc/93/32/23/995933223.db2.gz HGUZUMJRWHFMMS-UHFFFAOYSA-N 2 0 422.658 3.754 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138457 995947503 /nfs/dbraw/zinc/94/75/03/995947503.db2.gz MLIZMMOEKFRURD-DVECYGJZSA-N 2 0 402.542 3.818 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138459 995947517 /nfs/dbraw/zinc/94/75/17/995947517.db2.gz MLIZMMOEKFRURD-YADARESESA-N 2 0 402.542 3.818 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000475154870 995958190 /nfs/dbraw/zinc/95/81/90/995958190.db2.gz RRXAXBVAKYXBCU-DNVCBOLYSA-N 2 0 404.352 3.519 20 0 HHADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126831 995991125 /nfs/dbraw/zinc/99/11/25/995991125.db2.gz LMKWXOYYLYXTQF-VQTJNVASSA-N 2 0 417.619 3.945 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140178 995998758 /nfs/dbraw/zinc/99/87/58/995998758.db2.gz ZSOAHWNGNFWTIC-QFUCXCTJSA-N 2 0 424.427 3.754 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000475292511 996049946 /nfs/dbraw/zinc/04/99/46/996049946.db2.gz SPIYDNACKXJBBE-QHCPKHFHSA-N 3 0 406.618 3.829 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000483238314 996054128 /nfs/dbraw/zinc/05/41/28/996054128.db2.gz WQKMZAOXKJPFAZ-APTRMMRNSA-N 2 0 412.622 3.849 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000475310931 996061218 /nfs/dbraw/zinc/06/12/18/996061218.db2.gz RIZYPMSYZDLQNA-UHFFFAOYSA-N 2 0 406.574 3.684 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)[NH+]2CCCC2)o1 ZINC000475323679 996070377 /nfs/dbraw/zinc/07/03/77/996070377.db2.gz ZALARQFXWUPQPL-OAQYLSRUSA-N 2 0 402.583 3.821 20 0 HHADRP CC1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000483313398 996092938 /nfs/dbraw/zinc/09/29/38/996092938.db2.gz AMCKLXKOGWCWAP-UHFFFAOYSA-N 2 0 406.574 3.717 20 0 HHADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)s1 ZINC000483315823 996094208 /nfs/dbraw/zinc/09/42/08/996094208.db2.gz QAVDHBJKLFIQBM-SJLPKXTDSA-N 2 0 423.648 3.568 20 0 HHADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483425490 996170680 /nfs/dbraw/zinc/17/06/80/996170680.db2.gz XZBBAMOCNKZCAQ-KRWDZBQOSA-N 2 0 413.528 3.947 20 0 HHADRP COc1cc(OC)c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000483514802 996226977 /nfs/dbraw/zinc/22/69/77/996226977.db2.gz BUBAJODLTFQULW-KRWDZBQOSA-N 2 0 410.002 3.958 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483568976 996256615 /nfs/dbraw/zinc/25/66/15/996256615.db2.gz SCXKQQWIOPKJTN-LADGPHEKSA-N 2 0 421.585 3.754 20 0 HHADRP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729538 996328756 /nfs/dbraw/zinc/32/87/56/996328756.db2.gz NNFIVTOXAUVPCW-JTHBVZDNSA-N 2 0 400.588 3.614 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814923 996405551 /nfs/dbraw/zinc/40/55/51/996405551.db2.gz HCZXCNZOQYKJHE-UWVAXJGDSA-N 2 0 413.400 3.943 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876475 996442455 /nfs/dbraw/zinc/44/24/55/996442455.db2.gz NCAXXXXIOCUBMW-RBBKRZOGSA-N 2 0 400.611 3.851 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000484013531 996521670 /nfs/dbraw/zinc/52/16/70/996521670.db2.gz VQJSZKCOVSKCCZ-UHFFFAOYSA-N 2 0 412.622 3.744 20 0 HHADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475998409 996527901 /nfs/dbraw/zinc/52/79/01/996527901.db2.gz APIMEPMWQDPNMA-UHFFFAOYSA-N 2 0 414.638 3.990 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476015324 996543261 /nfs/dbraw/zinc/54/32/61/996543261.db2.gz YNJZVEKTAWEBHR-UHFFFAOYSA-N 2 0 422.683 3.834 20 0 HHADRP Cc1cccc([C@@H](C)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000484149707 996600657 /nfs/dbraw/zinc/60/06/57/996600657.db2.gz WQMSBAFRWCRAHL-VQTJNVASSA-N 2 0 417.619 3.679 20 0 HHADRP C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000484167297 996612024 /nfs/dbraw/zinc/61/20/24/996612024.db2.gz AZPJXYIJNKUIMJ-FQEVSTJZSA-N 2 0 409.574 3.830 20 0 HHADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000484306944 996692166 /nfs/dbraw/zinc/69/21/66/996692166.db2.gz KJMZUSUWQUAVPJ-IBGZPJMESA-N 2 0 411.537 3.955 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484711800 997050756 /nfs/dbraw/zinc/05/07/56/997050756.db2.gz BDFHBMNPLFBBLR-APWZRJJASA-N 2 0 414.516 3.681 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716791 997056916 /nfs/dbraw/zinc/05/69/16/997056916.db2.gz VMIBHKSLZPPNBK-VWPQPMDRSA-N 2 0 423.605 3.589 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000484835928 997201509 /nfs/dbraw/zinc/20/15/09/997201509.db2.gz ISLFBGAIYSGAJI-QHCPKHFHSA-N 2 0 400.611 3.661 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968319 997340437 /nfs/dbraw/zinc/34/04/37/997340437.db2.gz FNUFZSATDIBDEP-YSIASYRMSA-N 2 0 400.592 3.561 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000476871715 997447902 /nfs/dbraw/zinc/44/79/02/997447902.db2.gz FVLCNDSQDJUAPQ-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000476924777 997537814 /nfs/dbraw/zinc/53/78/14/997537814.db2.gz GTHIRXRUHKWAAB-WCRBZPEASA-N 2 0 404.986 3.571 20 0 HHADRP COc1ccc(COC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476975047 997594654 /nfs/dbraw/zinc/59/46/54/997594654.db2.gz QMGDHNFBZLOKSI-REWPJTCUSA-N 2 0 404.595 3.549 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)c2cc1C ZINC000476983235 997607126 /nfs/dbraw/zinc/60/71/26/997607126.db2.gz KPXIMVCWSLINQK-GMAHTHKFSA-N 2 0 412.622 3.991 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000485393348 997821109 /nfs/dbraw/zinc/82/11/09/997821109.db2.gz MPTOTLAWXHXKHY-NRFANRHFSA-N 2 0 408.590 3.898 20 0 HHADRP CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477160211 997821688 /nfs/dbraw/zinc/82/16/88/997821688.db2.gz KFMLQIOEJYQAJH-XMMPIXPASA-N 2 0 412.622 3.599 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395651 997824156 /nfs/dbraw/zinc/82/41/56/997824156.db2.gz GLSCRBZWBAWCDA-MZKRTTBSSA-N 2 0 400.611 3.648 20 0 HHADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397708 997826164 /nfs/dbraw/zinc/82/61/64/997826164.db2.gz BHUQNQDVNQAAPV-MBSDFSHPSA-N 2 0 418.528 3.705 20 0 HHADRP C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399170 997828831 /nfs/dbraw/zinc/82/88/31/997828831.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 2 0 420.601 3.645 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485501371 997956088 /nfs/dbraw/zinc/95/60/88/997956088.db2.gz KUSZFQCVWSVAFU-ISKFKSNPSA-N 2 0 412.622 3.947 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000477415644 998099875 /nfs/dbraw/zinc/09/98/75/998099875.db2.gz VSAQCCGWAVYBKV-HXUWFJFHSA-N 2 0 401.501 3.555 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000485818403 998284733 /nfs/dbraw/zinc/28/47/33/998284733.db2.gz VTTRVEUQBOTRHI-LJQANCHMSA-N 2 0 422.598 3.990 20 0 HHADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089418 998536418 /nfs/dbraw/zinc/53/64/18/998536418.db2.gz LNWPBGGRRKXWFG-VWLOTQADSA-N 2 0 421.585 3.693 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000478049568 998735748 /nfs/dbraw/zinc/73/57/48/998735748.db2.gz WMXXYSGOZOMGAY-OAQYLSRUSA-N 2 0 422.617 3.870 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000487079365 999057006 /nfs/dbraw/zinc/05/70/06/999057006.db2.gz UDDNAMXTANEMGE-FDFHNCONSA-N 2 0 416.610 3.639 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802577 999147979 /nfs/dbraw/zinc/14/79/79/999147979.db2.gz SXCTYFWKYOPJFC-DENIHFKCSA-N 2 0 412.578 3.981 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000487390467 999157517 /nfs/dbraw/zinc/15/75/17/999157517.db2.gz VNZKMEAVWPLBEO-HSZRJFAPSA-N 2 0 409.574 3.546 20 0 HHADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051477 999268060 /nfs/dbraw/zinc/26/80/60/999268060.db2.gz AALLUXFMDWSNGH-PKOBYXMFSA-N 2 0 410.400 3.713 20 0 HHADRP CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000479054578 999270078 /nfs/dbraw/zinc/27/00/78/999270078.db2.gz ZPTHHJBMDPJJFW-UHFFFAOYSA-N 2 0 409.578 3.600 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461063 999427259 /nfs/dbraw/zinc/42/72/59/999427259.db2.gz BESVVLJZTVNNRF-AZUAARDMSA-N 2 0 401.576 3.621 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000488334725 999445721 /nfs/dbraw/zinc/44/57/21/999445721.db2.gz XDAMRRVXXOAWBD-TZRRMPRUSA-N 2 0 422.573 3.575 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000488361612 999457258 /nfs/dbraw/zinc/45/72/58/999457258.db2.gz PRNDQRAJDHVEJB-UHFFFAOYSA-N 2 0 400.394 3.706 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527798 999518535 /nfs/dbraw/zinc/51/85/35/999518535.db2.gz DUTHNFSOQCZBQT-GBXCKJPGSA-N 2 0 408.590 3.848 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000488576465 999533297 /nfs/dbraw/zinc/53/32/97/999533297.db2.gz CKEAYLUBOPBCQJ-HSQYWUDLSA-N 2 0 422.564 3.862 20 0 HHADRP CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000488710016 999583150 /nfs/dbraw/zinc/58/31/50/999583150.db2.gz DJIUUFRJHPTDKU-HSZRJFAPSA-N 2 0 407.587 3.952 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963851 999659033 /nfs/dbraw/zinc/65/90/33/999659033.db2.gz XGBGACJKKHJVPQ-GHJWSADVSA-N 2 0 410.606 3.554 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000480136699 999727346 /nfs/dbraw/zinc/72/73/46/999727346.db2.gz IGGRLAORXLCZEY-LJQANCHMSA-N 2 0 415.603 3.919 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000480142162 999728966 /nfs/dbraw/zinc/72/89/66/999728966.db2.gz DWPRXTNDQIKKID-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747241 /nfs/dbraw/zinc/74/72/41/999747241.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000480239908 999753826 /nfs/dbraw/zinc/75/38/26/999753826.db2.gz GNSZAIYQVTXCER-PIXQIBFHSA-N 2 0 422.617 3.691 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000489393505 999757579 /nfs/dbraw/zinc/75/75/79/999757579.db2.gz CFYQCHJNLFNPRZ-UHFFFAOYSA-N 2 0 408.590 3.944 20 0 HHADRP C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480267568 999759650 /nfs/dbraw/zinc/75/96/50/999759650.db2.gz RGAAYUNNNFWJSU-IERDGZPVSA-N 2 0 421.632 3.780 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000489433183 999766383 /nfs/dbraw/zinc/76/63/83/999766383.db2.gz UYUZVCZLBIOIJN-KSEOMHKRSA-N 2 0 412.578 3.872 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000489458135 999771664 /nfs/dbraw/zinc/77/16/64/999771664.db2.gz MCSYGKDRHVWQPM-QHCPKHFHSA-N 2 0 412.622 3.949 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387205 999786509 /nfs/dbraw/zinc/78/65/09/999786509.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 2 0 408.586 3.878 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489540906 999788142 /nfs/dbraw/zinc/78/81/42/999788142.db2.gz JWOZLBUBCKPABG-HSZRJFAPSA-N 2 0 406.574 3.567 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489540908 999788215 /nfs/dbraw/zinc/78/82/15/999788215.db2.gz JWOZLBUBCKPABG-QHCPKHFHSA-N 2 0 406.574 3.567 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788478 /nfs/dbraw/zinc/78/84/78/999788478.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 2 0 408.586 3.878 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543437 999788839 /nfs/dbraw/zinc/78/88/39/999788839.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 2 0 408.590 3.813 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489558576 999791968 /nfs/dbraw/zinc/79/19/68/999791968.db2.gz OKXWBIWPMHAVSS-HSZRJFAPSA-N 2 0 406.574 3.716 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489558577 999792064 /nfs/dbraw/zinc/79/20/64/999792064.db2.gz OKXWBIWPMHAVSS-QHCPKHFHSA-N 2 0 406.574 3.716 20 0 HHADRP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455697 999803197 /nfs/dbraw/zinc/80/31/97/999803197.db2.gz WBIHZKUIGXEFEW-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631685 999806438 /nfs/dbraw/zinc/80/64/38/999806438.db2.gz DYXGGSRDMAUDMN-RDPSFJRHSA-N 2 0 421.585 3.859 20 0 HHADRP CCOc1cccc(CNC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489646484 999809439 /nfs/dbraw/zinc/80/94/39/999809439.db2.gz GRGVXWHXOUIQGX-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489648079 999809771 /nfs/dbraw/zinc/80/97/71/999809771.db2.gz LEFYMHHBSOBXBW-QFIPXVFZSA-N 2 0 407.602 3.886 20 0 HHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000480534785 999820558 /nfs/dbraw/zinc/82/05/58/999820558.db2.gz GIANVEXNPVFWTO-CYBMUJFWSA-N 2 0 407.452 3.566 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)s2)cc1 ZINC000480537899 999821574 /nfs/dbraw/zinc/82/15/74/999821574.db2.gz QGIVHFARUQKDLY-MRXNPFEDSA-N 2 0 402.608 3.804 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489726921 999825673 /nfs/dbraw/zinc/82/56/73/999825673.db2.gz ICEHJHXHAYJUGE-VMIIQTFKSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730563 999826654 /nfs/dbraw/zinc/82/66/54/999826654.db2.gz XRDJWZMUHRBGPF-NIHXVFGGSA-N 2 0 412.622 3.515 20 0 HHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599992 999837599 /nfs/dbraw/zinc/83/75/99/999837599.db2.gz FEUVWWOOLXHNMC-ZCNNSNEGSA-N 2 0 407.624 3.635 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599986 999837650 /nfs/dbraw/zinc/83/76/50/999837650.db2.gz FEUVWWOOLXHNMC-AQNXPRMDSA-N 2 0 407.624 3.635 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000489808155 999842110 /nfs/dbraw/zinc/84/21/10/999842110.db2.gz BBQNSBJANRTTGY-AUSIDOKSSA-N 2 0 412.578 3.572 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480616856 999842229 /nfs/dbraw/zinc/84/22/29/999842229.db2.gz WJCKGWGOOOQNRU-DLBZAZTESA-N 2 0 402.608 3.804 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000480617759 999842370 /nfs/dbraw/zinc/84/23/70/999842370.db2.gz VULHIDMMLUDCCC-FXAWDEMLSA-N 2 0 412.416 3.532 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847290 999848646 /nfs/dbraw/zinc/84/86/46/999848646.db2.gz ZEFFQXHIABDFBD-ILBGXUMGSA-N 2 0 420.601 3.687 20 0 HHADRP COc1cccc(C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)c1 ZINC000480694127 999861118 /nfs/dbraw/zinc/86/11/18/999861118.db2.gz LJZCYCATANGQQT-RUZDIDTESA-N 2 0 416.569 3.916 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2C1 ZINC000490118234 999895444 /nfs/dbraw/zinc/89/54/44/999895444.db2.gz JXKDQOJXSWWVKC-KYTVRQNUSA-N 2 0 421.585 3.879 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4[nH]c5ccc(C)cc5c4C3)cn2)CC1 ZINC000490155507 999901303 /nfs/dbraw/zinc/90/13/03/999901303.db2.gz DGTDHSONUYUERK-HXUWFJFHSA-N 2 0 403.574 3.660 20 0 HHADRP Cn1cc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000490155304 999901375 /nfs/dbraw/zinc/90/13/75/999901375.db2.gz CKPCORAQEFMKPZ-VWLOTQADSA-N 2 0 421.564 3.841 20 0 HHADRP C[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490654855 999989327 /nfs/dbraw/zinc/98/93/27/999989327.db2.gz ZALHIRQLZDCHQD-DHLKQENFSA-N 2 0 407.602 3.750 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000490693739 999994174 /nfs/dbraw/zinc/99/41/74/999994174.db2.gz OHXOJKLULMIVNA-UHFFFAOYSA-N 2 0 416.591 3.722 20 0 HHADRP COc1ccccc1-c1ncc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000490825350 1000012302 /nfs/dbraw/zinc/01/23/02/1000012302.db2.gz KITNMZKGHSOPAX-UHFFFAOYSA-N 2 0 418.541 3.917 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000491011553 1000033958 /nfs/dbraw/zinc/03/39/58/1000033958.db2.gz WACCVWCKMJZJTL-PGRDOPGGSA-N 2 0 403.517 3.851 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000491011554 1000033974 /nfs/dbraw/zinc/03/39/74/1000033974.db2.gz WACCVWCKMJZJTL-XMSQKQJNSA-N 2 0 403.517 3.851 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000491016651 1000034167 /nfs/dbraw/zinc/03/41/67/1000034167.db2.gz DASYKGICFQADJU-HRAATJIYSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000491035637 1000037466 /nfs/dbraw/zinc/03/74/66/1000037466.db2.gz WILFXCDVPFNSJR-HRAATJIYSA-N 2 0 420.370 3.903 20 0 HHADRP COc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491061125 1000041075 /nfs/dbraw/zinc/04/10/75/1000041075.db2.gz PVICVIPQTMBMNU-MBSDFSHPSA-N 2 0 401.982 3.911 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491336039 1000066248 /nfs/dbraw/zinc/06/62/48/1000066248.db2.gz TVWUOGCINVJCOW-LJQANCHMSA-N 2 0 416.614 3.658 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000491355309 1000067670 /nfs/dbraw/zinc/06/76/70/1000067670.db2.gz FRNBXHRIQUVCLY-NRFANRHFSA-N 2 0 420.370 3.905 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491436226 1000075103 /nfs/dbraw/zinc/07/51/03/1000075103.db2.gz WNMMHTOLXRVJMB-UHFFFAOYSA-N 2 0 404.603 3.516 20 0 HHADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1F ZINC000492236622 1000117058 /nfs/dbraw/zinc/11/70/58/1000117058.db2.gz JJDFQYCDKGXSBE-UHFFFAOYSA-N 2 0 416.541 3.551 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000492331759 1000122121 /nfs/dbraw/zinc/12/21/21/1000122121.db2.gz UHWSMVOMUWWPQF-UHFFFAOYSA-N 2 0 413.993 3.904 20 0 HHADRP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)on1 ZINC000492854399 1000147013 /nfs/dbraw/zinc/14/70/13/1000147013.db2.gz UTDGKYUQFKJTBN-UHFFFAOYSA-N 2 0 408.546 3.573 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493084150 1000156987 /nfs/dbraw/zinc/15/69/87/1000156987.db2.gz YYEPKIGVNZGMIX-JOCHJYFZSA-N 2 0 403.517 3.993 20 0 HHADRP Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000493929830 1000220968 /nfs/dbraw/zinc/22/09/68/1000220968.db2.gz ZVOROTFRAYPCTO-LJQANCHMSA-N 2 0 415.379 3.681 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494060521 1000289115 /nfs/dbraw/zinc/28/91/15/1000289115.db2.gz NYOVXBIHHWVDPG-LJQANCHMSA-N 2 0 404.558 3.769 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504965352 1000475869 /nfs/dbraw/zinc/47/58/69/1000475869.db2.gz LNZZFMBFWRZNSA-GOSISDBHSA-N 2 0 422.664 3.546 20 0 HHADRP Fc1cncc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000494560608 1000555002 /nfs/dbraw/zinc/55/50/02/1000555002.db2.gz HAHJLDDMLNNAEX-UHFFFAOYSA-N 2 0 410.459 3.932 20 0 HHADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494566752 1000557459 /nfs/dbraw/zinc/55/74/59/1000557459.db2.gz WUDRZKWEMOIAEU-URXFXBBRSA-N 2 0 415.622 3.542 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505135559 1000569195 /nfs/dbraw/zinc/56/91/95/1000569195.db2.gz JZUWHVISEITUCC-PMACEKPBSA-N 2 0 417.500 3.690 20 0 HHADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)c2C1 ZINC000505300129 1000683377 /nfs/dbraw/zinc/68/33/77/1000683377.db2.gz PITYSTXGLBCBBQ-LJQANCHMSA-N 2 0 416.610 3.562 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926768 1000733422 /nfs/dbraw/zinc/73/34/22/1000733422.db2.gz ZIQHXYHZXGHTQZ-AQNXPRMDSA-N 2 0 409.574 3.848 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495075423 1000815217 /nfs/dbraw/zinc/81/52/17/1000815217.db2.gz QZTAHTWCDCIHTN-ROUUACIJSA-N 2 0 412.553 3.691 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495075422 1000815357 /nfs/dbraw/zinc/81/53/57/1000815357.db2.gz QZTAHTWCDCIHTN-QZTJIDSGSA-N 2 0 412.553 3.691 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081770 1000818283 /nfs/dbraw/zinc/81/82/83/1000818283.db2.gz VLKTXZDMNGPQOB-PKOBYXMFSA-N 2 0 405.995 3.862 20 0 HHADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505590076 1000923316 /nfs/dbraw/zinc/92/33/16/1000923316.db2.gz DLJUUNKUMXGIPP-XXBNENTESA-N 2 0 419.573 3.533 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495394134 1000997388 /nfs/dbraw/zinc/99/73/88/1000997388.db2.gz AVKOIDQUKRCJEJ-RPWUZVMVSA-N 2 0 415.622 3.521 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495394132 1000997576 /nfs/dbraw/zinc/99/75/76/1000997576.db2.gz AVKOIDQUKRCJEJ-BJKOFHAPSA-N 2 0 415.622 3.521 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766048 1001012501 /nfs/dbraw/zinc/01/25/01/1001012501.db2.gz KTBPNLWBGGHXNR-OFNKIYASSA-N 2 0 412.603 3.658 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000505790185 1001024951 /nfs/dbraw/zinc/02/49/51/1001024951.db2.gz PJOUZPVNIQGWQV-HNNXBMFYSA-N 2 0 416.791 3.591 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000505808741 1001036978 /nfs/dbraw/zinc/03/69/78/1001036978.db2.gz ZKYJWKIOGCPTHX-LJQANCHMSA-N 2 0 414.619 3.915 20 0 HHADRP Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000495831994 1001083054 /nfs/dbraw/zinc/08/30/54/1001083054.db2.gz LJXYPXRNKBEPNO-UHFFFAOYSA-N 2 0 421.010 3.870 20 0 HHADRP FC(F)(F)COc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506030848 1001175957 /nfs/dbraw/zinc/17/59/57/1001175957.db2.gz JAPVJHQSRSEZFZ-UHFFFAOYSA-N 2 0 400.485 3.952 20 0 HHADRP Clc1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000506031732 1001177226 /nfs/dbraw/zinc/17/72/26/1001177226.db2.gz MSPXGXLNXVSPIS-UHFFFAOYSA-N 2 0 404.942 3.714 20 0 HHADRP Clc1cnn(C2CC[NH+](C/C=C\C[NH+]3CCC(n4cc(Cl)cn4)CC3)CC2)c1 ZINC000506038110 1001181918 /nfs/dbraw/zinc/18/19/18/1001181918.db2.gz YGQCYKGWCXMYEP-UPHRSURJSA-N 2 0 423.392 3.917 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176347 1001261116 /nfs/dbraw/zinc/26/11/16/1001261116.db2.gz XMJMIQAAILRZGT-INIZCTEOSA-N 2 0 422.545 3.576 20 0 HHADRP COc1ccc(OC(F)F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000497233733 1001283105 /nfs/dbraw/zinc/28/31/05/1001283105.db2.gz ZJAMWBDSKABOQE-NRFANRHFSA-N 2 0 419.516 3.765 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473548 1001385611 /nfs/dbraw/zinc/38/56/11/1001385611.db2.gz UFVCDBGNICMZDF-NSISKUIASA-N 2 0 424.511 3.548 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000497611011 1001458040 /nfs/dbraw/zinc/45/80/40/1001458040.db2.gz LFRJWBQZOILHIM-CYFREDJKSA-N 2 0 424.589 3.823 20 0 HHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619839 1001461152 /nfs/dbraw/zinc/46/11/52/1001461152.db2.gz FCQNASNNQFEELN-UNMCSNQZSA-N 2 0 419.013 3.678 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000497709566 1001492635 /nfs/dbraw/zinc/49/26/35/1001492635.db2.gz VZJKJFZQKOMHIO-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866268 1001572363 /nfs/dbraw/zinc/57/23/63/1001572363.db2.gz WDLHDNRFGLXDNP-NJYVYQBISA-N 2 0 402.583 3.713 20 0 HHADRP CCCCCNC(=O)C1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000506916324 1001592323 /nfs/dbraw/zinc/59/23/23/1001592323.db2.gz XMOFEWMQOCFILY-UHFFFAOYSA-N 2 0 414.638 3.737 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922913 1001595582 /nfs/dbraw/zinc/59/55/82/1001595582.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 2 0 412.622 3.947 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121463 1001650633 /nfs/dbraw/zinc/65/06/33/1001650633.db2.gz QOFXOPFBGVZHPM-UCFCWBNQSA-N 2 0 424.589 3.508 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000498291714 1001760171 /nfs/dbraw/zinc/76/01/71/1001760171.db2.gz IJGWXOMHDHZIMK-DHIUTWEWSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000507184359 1001874024 /nfs/dbraw/zinc/87/40/24/1001874024.db2.gz RWUAQVZTVQANTN-NRFANRHFSA-N 2 0 409.599 3.972 20 0 HHADRP Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204345 1001893089 /nfs/dbraw/zinc/89/30/89/1001893089.db2.gz KOXRIQXRZFPBCN-JTHBVZDNSA-N 2 0 405.586 3.954 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000507378239 1002034196 /nfs/dbraw/zinc/03/41/96/1002034196.db2.gz KBVNZIFSKDCFFE-XMMPIXPASA-N 2 0 414.638 3.752 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707573 1002091412 /nfs/dbraw/zinc/09/14/12/1002091412.db2.gz UOMXDJYAWMBEQM-OFNKIYASSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc([C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000507472484 1002091600 /nfs/dbraw/zinc/09/16/00/1002091600.db2.gz FDEFACXOZXGKNY-QFIPXVFZSA-N 2 0 400.588 3.809 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(Br)c1 ZINC000507488532 1002102254 /nfs/dbraw/zinc/10/22/54/1002102254.db2.gz VAKXSQQHSRLCDO-PDGJWGCVSA-N 2 0 415.375 3.983 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115917 /nfs/dbraw/zinc/11/59/17/1002115917.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 2 0 415.528 3.912 20 0 HHADRP Cc1cc(Br)cc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc21 ZINC000507548954 1002155152 /nfs/dbraw/zinc/15/51/52/1002155152.db2.gz LBRZOUBBQXKLIJ-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000498798960 1002184044 /nfs/dbraw/zinc/18/40/44/1002184044.db2.gz MHUAVBQMFLFMIV-BURFUSLBSA-N 2 0 403.533 3.664 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595872 1002203114 /nfs/dbraw/zinc/20/31/14/1002203114.db2.gz AJUYTVYRCKWTGE-HJNYFJLDSA-N 2 0 421.589 3.771 20 0 HHADRP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507618168 1002222713 /nfs/dbraw/zinc/22/27/13/1002222713.db2.gz IFDCEFBSMTXWMW-UWJYYQICSA-N 2 0 423.536 3.690 20 0 HHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507699980 1002291903 /nfs/dbraw/zinc/29/19/03/1002291903.db2.gz VQUYOYIONKQBJT-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000507708959 1002299840 /nfs/dbraw/zinc/29/98/40/1002299840.db2.gz OQMCMUCIPQAPLL-UHFFFAOYSA-N 2 0 401.986 3.906 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000498936587 1002334962 /nfs/dbraw/zinc/33/49/62/1002334962.db2.gz HSBFYRUYLFDJNJ-HXUWFJFHSA-N 2 0 406.368 3.747 20 0 HHADRP Cc1cccc(C)c1OCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507914737 1002449042 /nfs/dbraw/zinc/44/90/42/1002449042.db2.gz RBZAYCAOAPVABB-UHFFFAOYSA-N 2 0 415.622 3.777 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508883026 1003306500 /nfs/dbraw/zinc/30/65/00/1003306500.db2.gz SPGCWUJHVWHBHJ-AVRDEDQJSA-N 2 0 400.542 3.590 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508883286 1003306605 /nfs/dbraw/zinc/30/66/05/1003306605.db2.gz VGSXTIQXWPWZBU-VGSWGCGISA-N 2 0 418.532 3.729 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)o1 ZINC000508889419 1003316295 /nfs/dbraw/zinc/31/62/95/1003316295.db2.gz DKCHICWZZZYWFL-UGKGYDQZSA-N 2 0 400.567 3.661 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902796 1003339294 /nfs/dbraw/zinc/33/92/94/1003339294.db2.gz DUBUQGLUJDILCN-RDPSFJRHSA-N 2 0 424.589 3.604 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000508910787 1003351051 /nfs/dbraw/zinc/35/10/51/1003351051.db2.gz BKAFGUVZMKGJCE-QFQXNSOFSA-N 2 0 417.597 3.804 20 0 HHADRP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508915247 1003353917 /nfs/dbraw/zinc/35/39/17/1003353917.db2.gz FFJVFRBPKAZFHZ-RDPSFJRHSA-N 2 0 408.590 3.984 20 0 HHADRP CC(C)Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000500039575 1003366405 /nfs/dbraw/zinc/36/64/05/1003366405.db2.gz SNLADNIUCJJZHB-UHFFFAOYSA-N 2 0 419.573 3.634 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000500138407 1003498233 /nfs/dbraw/zinc/49/82/33/1003498233.db2.gz LEOIRSLBWXUPGQ-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP CCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000500605623 1003821363 /nfs/dbraw/zinc/82/13/63/1003821363.db2.gz HPQPPAGATGAYFZ-AIZNXBIQSA-N 2 0 412.622 3.945 20 0 HHADRP COc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000500615701 1003833048 /nfs/dbraw/zinc/83/30/48/1003833048.db2.gz IRZGYSLFVIZFPY-QHCPKHFHSA-N 2 0 416.610 3.596 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000509533500 1003928064 /nfs/dbraw/zinc/92/80/64/1003928064.db2.gz RRIDAFCZQNUPIL-UHFFFAOYSA-N 2 0 409.603 3.576 20 0 HHADRP C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500781214 1003952965 /nfs/dbraw/zinc/95/29/65/1003952965.db2.gz NNHYJEHRGWNGII-JTHBVZDNSA-N 2 0 421.589 3.571 20 0 HHADRP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000500784613 1003954403 /nfs/dbraw/zinc/95/44/03/1003954403.db2.gz ZBRNMYYAFBCMJC-UHFFFAOYSA-N 2 0 407.558 3.562 20 0 HHADRP CCC[NH+]1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000512021697 1003960718 /nfs/dbraw/zinc/96/07/18/1003960718.db2.gz DLTDWWAPEFLPCQ-UHFFFAOYSA-N 2 0 407.986 3.610 20 0 HHADRP CC(C)[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000500809293 1003970826 /nfs/dbraw/zinc/97/08/26/1003970826.db2.gz NWADGLHFNCKSJD-QHCPKHFHSA-N 2 0 415.626 3.696 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102868 1004025151 /nfs/dbraw/zinc/02/51/51/1004025151.db2.gz ABFRLWOFGMKSTI-ACIOBRDBSA-N 2 0 400.611 3.707 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(SC)cc1OC ZINC000512177553 1004079451 /nfs/dbraw/zinc/07/94/51/1004079451.db2.gz FDJVHBRXJUITHV-IAGOWNOFSA-N 2 0 408.608 3.747 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512189872 1004091499 /nfs/dbraw/zinc/09/14/99/1004091499.db2.gz QBTYRHQVFSLGHN-XZOQPEGZSA-N 2 0 414.638 3.954 20 0 HHADRP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027883 1004131555 /nfs/dbraw/zinc/13/15/55/1004131555.db2.gz WXPHXATZRGSWDZ-HSZRJFAPSA-N 2 0 424.589 3.896 20 0 HHADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247341 1004150494 /nfs/dbraw/zinc/15/04/94/1004150494.db2.gz XUAYSCCNWGPNOY-DEOSSOPVSA-N 2 0 409.599 3.621 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000501051258 1004153572 /nfs/dbraw/zinc/15/35/72/1004153572.db2.gz IGAONSJLTMXKLY-INIZCTEOSA-N 2 0 404.546 3.757 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067982 1004170376 /nfs/dbraw/zinc/17/03/76/1004170376.db2.gz JLQFNBRKNRXSIE-UKILVPOCSA-N 2 0 409.574 3.685 20 0 HHADRP Cc1ccc(CN(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501067679 1004170512 /nfs/dbraw/zinc/17/05/12/1004170512.db2.gz INZQNCQFBCYOQA-UHFFFAOYSA-N 2 0 406.574 3.729 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000501086026 1004191028 /nfs/dbraw/zinc/19/10/28/1004191028.db2.gz UWKKSWLUTBNBAF-OFNKIYASSA-N 2 0 421.589 3.602 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501089374 1004195653 /nfs/dbraw/zinc/19/56/53/1004195653.db2.gz QHYZYTJKMVOITM-UAMLPYHUSA-N 2 0 422.976 3.740 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512316190 1004211500 /nfs/dbraw/zinc/21/15/00/1004211500.db2.gz XDKWCZXBEADBAW-VWLOTQADSA-N 2 0 405.586 3.565 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501163566 1004246895 /nfs/dbraw/zinc/24/68/95/1004246895.db2.gz NKHUYYFPWGXNLS-JOCHJYFZSA-N 2 0 414.619 3.879 20 0 HHADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512434617 1004300196 /nfs/dbraw/zinc/30/01/96/1004300196.db2.gz ZJMUBCPQSMOKQT-JOCHJYFZSA-N 2 0 422.997 3.832 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000510119343 1004337520 /nfs/dbraw/zinc/33/75/20/1004337520.db2.gz NVLCXCDKQYVHAX-IRLDBZIGSA-N 2 0 409.574 3.658 20 0 HHADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487084 1004337815 /nfs/dbraw/zinc/33/78/15/1004337815.db2.gz PXUNBVCGZAGZMP-IFMALSPDSA-N 2 0 414.638 3.734 20 0 HHADRP Cc1ccc(C)c(OCCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512487568 1004338055 /nfs/dbraw/zinc/33/80/55/1004338055.db2.gz WLYMDCVBIMUTQR-VWLOTQADSA-N 2 0 407.602 3.964 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388903 1004384674 /nfs/dbraw/zinc/38/46/74/1004384674.db2.gz VLDFUBDMDRFMSI-YVNJGZBMSA-N 2 0 412.578 3.919 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCC1 ZINC000501388986 1004385202 /nfs/dbraw/zinc/38/52/02/1004385202.db2.gz PRCXBPKJWDIZCC-FGZHOGPDSA-N 2 0 416.610 3.642 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391651 1004386686 /nfs/dbraw/zinc/38/66/86/1004386686.db2.gz MXORZUICMDFBIS-CKUXNOBLSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501402004 1004393802 /nfs/dbraw/zinc/39/38/02/1004393802.db2.gz GTWPZCPIOAISMM-ZEYPLWLESA-N 2 0 412.553 3.638 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501401442 1004394033 /nfs/dbraw/zinc/39/40/33/1004394033.db2.gz WHRMVNVHPUZQTH-IBGZPJMESA-N 2 0 401.545 3.960 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cn2)CCO1 ZINC000512646645 1004458282 /nfs/dbraw/zinc/45/82/82/1004458282.db2.gz BWEOXQFKYCMBKE-KMRPREKFSA-N 2 0 420.601 3.697 20 0 HHADRP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646763 1004458307 /nfs/dbraw/zinc/45/83/07/1004458307.db2.gz CYLLCBQCUGMHRY-CCDWMCETSA-N 2 0 401.558 3.717 20 0 HHADRP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512667241 1004476989 /nfs/dbraw/zinc/47/69/89/1004476989.db2.gz OMXPWYFXHYMMOK-WXFUMESZSA-N 2 0 412.599 3.622 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000510332244 1004487727 /nfs/dbraw/zinc/48/77/27/1004487727.db2.gz PSQTXMBDCOLMBI-FQEVSTJZSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512687961 1004494023 /nfs/dbraw/zinc/49/40/23/1004494023.db2.gz AAEQLKXAPKLTEM-FPOVZHCZSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713328 1004512525 /nfs/dbraw/zinc/51/25/25/1004512525.db2.gz ZLSWWAIIHBYQOH-RTBURBONSA-N 2 0 402.583 3.538 20 0 HHADRP CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000510386094 1004526820 /nfs/dbraw/zinc/52/68/20/1004526820.db2.gz HZUBHJGUZOZUPE-UHFFFAOYSA-N 2 0 414.638 3.689 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)cc2)CC1 ZINC000510421182 1004555420 /nfs/dbraw/zinc/55/54/20/1004555420.db2.gz UKORWZFJKABOBW-UHFFFAOYSA-N 2 0 424.614 3.630 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC000512800962 1004567046 /nfs/dbraw/zinc/56/70/46/1004567046.db2.gz BTKPRNKNLZFQSG-CBQOVEMMSA-N 2 0 404.599 3.591 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510454031 1004576938 /nfs/dbraw/zinc/57/69/38/1004576938.db2.gz CRIFAWRXCVLTCR-HSZRJFAPSA-N 2 0 424.589 3.731 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000512820771 1004579999 /nfs/dbraw/zinc/57/99/99/1004579999.db2.gz NTNUNYIWNVYTPP-GGAORHGYSA-N 2 0 416.610 3.736 20 0 HHADRP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501667404 1004585445 /nfs/dbraw/zinc/58/54/45/1004585445.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 2 0 409.578 3.842 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000512847915 1004610653 /nfs/dbraw/zinc/61/06/53/1004610653.db2.gz XJANOCGCKNBCGR-IBGZPJMESA-N 2 0 424.511 3.550 20 0 HHADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851986 1004615076 /nfs/dbraw/zinc/61/50/76/1004615076.db2.gz LRYUIVIJSLGCNA-RBUKOAKNSA-N 2 0 424.511 3.596 20 0 HHADRP C[NH+](C)CCCC1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000501786523 1004728801 /nfs/dbraw/zinc/72/88/01/1004728801.db2.gz RJKRBMDGIVTVKE-UHFFFAOYSA-N 2 0 404.555 3.942 20 0 HHADRP C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510595652 1004741600 /nfs/dbraw/zinc/74/16/00/1004741600.db2.gz GQSAZKBNZVSIED-YUTDQEIESA-N 2 0 404.643 3.982 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501800221 1004742597 /nfs/dbraw/zinc/74/25/97/1004742597.db2.gz CDEJVAFHUBVHSI-YADHBBJMSA-N 2 0 410.562 3.943 20 0 HHADRP C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1CCCCCC1 ZINC000510869536 1004901860 /nfs/dbraw/zinc/90/18/60/1004901860.db2.gz YDIGKBBFMVWMLU-LJQANCHMSA-N 2 0 400.567 3.704 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000502105651 1004905416 /nfs/dbraw/zinc/90/54/16/1004905416.db2.gz BXUDACJRMZXCAP-PMACEKPBSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H]1C[NH+](CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000510957566 1004953876 /nfs/dbraw/zinc/95/38/76/1004953876.db2.gz HKLZOFAVBKPPIU-SFTDATJTSA-N 2 0 409.574 3.548 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000511003558 1004975533 /nfs/dbraw/zinc/97/55/33/1004975533.db2.gz YHAQXVMDLJZFGI-OALUTQOASA-N 2 0 422.573 3.994 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000511038311 1004992350 /nfs/dbraw/zinc/99/23/50/1004992350.db2.gz PMUQHGNHBUBEBQ-NFBKMPQASA-N 2 0 409.574 3.511 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000502282574 1004992471 /nfs/dbraw/zinc/99/24/71/1004992471.db2.gz NYYMUONNNWVTNY-HXUWFJFHSA-N 2 0 411.512 3.896 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000513587836 1005038275 /nfs/dbraw/zinc/03/82/75/1005038275.db2.gz BKLZKLHTKLBXMI-QYZOEREBSA-N 2 0 413.537 3.942 20 0 HHADRP CSc1ccccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000511145515 1005044153 /nfs/dbraw/zinc/04/41/53/1005044153.db2.gz UZLZMLIANWQPOS-UHFFFAOYSA-N 2 0 411.615 3.869 20 0 HHADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000513692307 1005084253 /nfs/dbraw/zinc/08/42/53/1005084253.db2.gz YYHAWTVUIDKVHO-SSGKUCQKSA-N 2 0 407.606 3.997 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)CC2)CC1 ZINC000502518873 1005099319 /nfs/dbraw/zinc/09/93/19/1005099319.db2.gz CIWABISTHHCELB-KOENEWCDSA-N 2 0 400.611 3.502 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000511376112 1005146524 /nfs/dbraw/zinc/14/65/24/1005146524.db2.gz GDKARSCEBHRVHQ-DHIUTWEWSA-N 2 0 401.982 3.953 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511414467 1005165734 /nfs/dbraw/zinc/16/57/34/1005165734.db2.gz KVUFMQVEGIVANM-UHFFFAOYSA-N 2 0 424.614 3.548 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680495 1005177513 /nfs/dbraw/zinc/17/75/13/1005177513.db2.gz AOAGUDFHIRGHSG-RXVVDRJESA-N 2 0 409.578 3.546 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453748 1005183263 /nfs/dbraw/zinc/18/32/63/1005183263.db2.gz KUQPZEVKKBLCDF-NTFDOXNWSA-N 2 0 407.986 3.609 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)Cc2ccccc2OC)CC1 ZINC000513963039 1005204421 /nfs/dbraw/zinc/20/44/21/1005204421.db2.gz JWGRDRWJCXZOGS-OAQYLSRUSA-N 2 0 423.601 3.729 20 0 HHADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502849295 1005243202 /nfs/dbraw/zinc/24/32/02/1005243202.db2.gz XQPGZURPGGJMLE-OAQYLSRUSA-N 2 0 420.601 3.739 20 0 HHADRP CC(C)(C)[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000514069197 1005252478 /nfs/dbraw/zinc/25/24/78/1005252478.db2.gz YBUHIJRVMITFBO-QFIPXVFZSA-N 2 0 409.578 3.680 20 0 HHADRP CN(c1ccccc1CNc1ccc(OC2CC[NH+](C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000514069470 1005252566 /nfs/dbraw/zinc/25/25/66/1005252566.db2.gz CZKIXHWXXDYUDA-UHFFFAOYSA-N 2 0 423.605 3.697 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000511636420 1005254467 /nfs/dbraw/zinc/25/44/67/1005254467.db2.gz NRDNLCGNSHQAMW-HSZRJFAPSA-N 2 0 422.573 3.621 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000514087647 1005259896 /nfs/dbraw/zinc/25/98/96/1005259896.db2.gz HYMDPTUTRYNOLQ-IBGZPJMESA-N 2 0 408.468 3.973 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(C(=O)OC)cs3)cc2)CC1 ZINC000514098483 1005264566 /nfs/dbraw/zinc/26/45/66/1005264566.db2.gz HHTFNOVVCUJTHN-KRWDZBQOSA-N 2 0 401.576 3.523 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678371 1005272939 /nfs/dbraw/zinc/27/29/39/1005272939.db2.gz ZGGQKOVSHIFNQO-WMZHIEFXSA-N 2 0 409.599 3.801 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000514119154 1005274445 /nfs/dbraw/zinc/27/44/45/1005274445.db2.gz RNDKQLCYJLHTPM-WOJBJXKFSA-N 2 0 406.640 3.771 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502937816 1005283209 /nfs/dbraw/zinc/28/32/09/1005283209.db2.gz FCMRQUSHNVFTOV-SFTDATJTSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502946551 1005287412 /nfs/dbraw/zinc/28/74/12/1005287412.db2.gz BKOJEFPLVSULFB-HXUWFJFHSA-N 2 0 408.590 3.863 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177026 1005299663 /nfs/dbraw/zinc/29/96/63/1005299663.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 2 0 412.603 3.534 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514211260 1005315472 /nfs/dbraw/zinc/31/54/72/1005315472.db2.gz PTBSMQJSCMRACN-SFTDATJTSA-N 2 0 400.592 3.796 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000514232790 1005324630 /nfs/dbraw/zinc/32/46/30/1005324630.db2.gz QFKFMSLUACMSOZ-UHFFFAOYSA-N 2 0 420.601 3.646 20 0 HHADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000514243529 1005330152 /nfs/dbraw/zinc/33/01/52/1005330152.db2.gz UKGJTODDHKBPEH-QHCPKHFHSA-N 2 0 410.558 3.888 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000503056869 1005330743 /nfs/dbraw/zinc/33/07/43/1005330743.db2.gz HIGXEBKOCKVCIX-YKSBVNFPSA-N 2 0 400.611 3.803 20 0 HHADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110886 1005350038 /nfs/dbraw/zinc/35/00/38/1005350038.db2.gz VHUHZHNNWIWEKL-JOCHJYFZSA-N 2 0 410.562 3.723 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000503413550 1005412891 /nfs/dbraw/zinc/41/28/91/1005412891.db2.gz GNQJNJYWZCBFAA-UGKGYDQZSA-N 2 0 404.574 3.726 20 0 HHADRP C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000503937172 1005515473 /nfs/dbraw/zinc/51/54/73/1005515473.db2.gz LIMMAQNDLONMID-RDPSFJRHSA-N 2 0 405.542 3.881 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)o1 ZINC000504024420 1005535039 /nfs/dbraw/zinc/53/50/39/1005535039.db2.gz JMEOXTRXKBKSNR-HXUWFJFHSA-N 2 0 401.526 3.530 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000504398765 1005618758 /nfs/dbraw/zinc/61/87/58/1005618758.db2.gz IICGTWCVBORQJI-NRFANRHFSA-N 2 0 423.605 3.587 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000504434463 1005627879 /nfs/dbraw/zinc/62/78/79/1005627879.db2.gz MUVYAVKRUMMNBR-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000531078900 1005981358 /nfs/dbraw/zinc/98/13/58/1005981358.db2.gz HYHFAHZJNUGYLU-HXUWFJFHSA-N 2 0 406.958 3.618 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(C(F)(F)F)c1 ZINC000531128252 1006008058 /nfs/dbraw/zinc/00/80/58/1006008058.db2.gz IDEOVPWIRUDLSD-IEBWSBKVSA-N 2 0 417.541 3.642 20 0 HHADRP Fc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000531142123 1006015863 /nfs/dbraw/zinc/01/58/63/1006015863.db2.gz NZOSRSUQYZNJAM-UHFFFAOYSA-N 2 0 423.536 3.567 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534058096 1006029645 /nfs/dbraw/zinc/02/96/45/1006029645.db2.gz OLDPFHBYEBVVDX-RBUKOAKNSA-N 2 0 414.819 3.951 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)CN1CC[NH+](C)CC1 ZINC000534058463 1006030554 /nfs/dbraw/zinc/03/05/54/1006030554.db2.gz CBWPWEYXWLFMOM-SCLBCKFNSA-N 2 0 400.792 3.563 20 0 HHADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534058888 1006030777 /nfs/dbraw/zinc/03/07/77/1006030777.db2.gz HNISJTBLNNXRJR-FQEVSTJZSA-N 2 0 420.388 3.963 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@@H](C)O1 ZINC000531199466 1006042417 /nfs/dbraw/zinc/04/24/17/1006042417.db2.gz QMKVVFUKXCHNDZ-HZPDHXFCSA-N 2 0 421.383 3.818 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000514579219 1006045613 /nfs/dbraw/zinc/04/56/13/1006045613.db2.gz YMAZVIDXRPUNJW-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000531315693 1006115639 /nfs/dbraw/zinc/11/56/39/1006115639.db2.gz IWZWGYIHDHVFEH-OALUTQOASA-N 2 0 404.942 3.672 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833563 1006163818 /nfs/dbraw/zinc/16/38/18/1006163818.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 2 0 420.601 3.712 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833562 1006164107 /nfs/dbraw/zinc/16/41/07/1006164107.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 2 0 420.601 3.712 20 0 HHADRP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534233885 1006235331 /nfs/dbraw/zinc/23/53/31/1006235331.db2.gz FXXFWEXPSDXRLH-IBGZPJMESA-N 2 0 412.553 3.693 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249077 1006255588 /nfs/dbraw/zinc/25/55/88/1006255588.db2.gz AKYFSYOBDOIPSI-LQWHRVPQSA-N 2 0 424.992 3.988 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000534248771 1006255775 /nfs/dbraw/zinc/25/57/75/1006255775.db2.gz ACPJUXPNRJEORY-STRKUORWSA-N 2 0 424.992 3.844 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534253195 1006261905 /nfs/dbraw/zinc/26/19/05/1006261905.db2.gz UVQKGIWVQYHIMH-JOCHJYFZSA-N 2 0 419.491 3.819 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000534257095 1006265296 /nfs/dbraw/zinc/26/52/96/1006265296.db2.gz MITSMBMHXUKQQJ-UHFFFAOYSA-N 2 0 412.553 3.523 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531582202 1006285163 /nfs/dbraw/zinc/28/51/63/1006285163.db2.gz HIJUSBVMZCXDSK-OAQYLSRUSA-N 2 0 411.638 3.841 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000515110931 1006296408 /nfs/dbraw/zinc/29/64/08/1006296408.db2.gz GPVJQPNEAQGHOT-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+](C)CC1 ZINC000531597834 1006296481 /nfs/dbraw/zinc/29/64/81/1006296481.db2.gz CPMPBAUCNYATIZ-UHFFFAOYSA-N 2 0 407.537 3.832 20 0 HHADRP CCc1ccc([C@H](CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)[NH+](C)C)cc1 ZINC000515112857 1006297138 /nfs/dbraw/zinc/29/71/38/1006297138.db2.gz XMFCMWNLWJSYQD-DEOSSOPVSA-N 2 0 423.605 3.815 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000531677278 1006348460 /nfs/dbraw/zinc/34/84/60/1006348460.db2.gz FJSJWWNYBOPTEK-AVRDEDQJSA-N 3 0 409.603 3.882 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000531677280 1006349206 /nfs/dbraw/zinc/34/92/06/1006349206.db2.gz FJSJWWNYBOPTEK-PGRDOPGGSA-N 3 0 409.603 3.882 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccccc1CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000531702944 1006365791 /nfs/dbraw/zinc/36/57/91/1006365791.db2.gz VTPWDIVJHXSBPR-XXBNENTESA-N 2 0 421.651 3.647 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)C1 ZINC000531714450 1006372911 /nfs/dbraw/zinc/37/29/11/1006372911.db2.gz QARYEOHTAXOFRJ-GMAHTHKFSA-N 2 0 409.599 3.504 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000531721397 1006378488 /nfs/dbraw/zinc/37/84/88/1006378488.db2.gz HXRAGVRWCOWVCK-BKSPAHHJSA-N 2 0 411.590 3.567 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000531721399 1006378792 /nfs/dbraw/zinc/37/87/92/1006378792.db2.gz HXRAGVRWCOWVCK-STWLZBDKSA-N 2 0 411.590 3.567 20 0 HHADRP COc1ccc(CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1OC ZINC000531851832 1006473087 /nfs/dbraw/zinc/47/30/87/1006473087.db2.gz ZUDMEERBNZUSSW-UHFFFAOYSA-N 2 0 411.590 3.957 20 0 HHADRP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c(C)c1 ZINC000531949859 1006539608 /nfs/dbraw/zinc/53/96/08/1006539608.db2.gz KJTOTJCRDZITSX-FQEVSTJZSA-N 2 0 417.619 3.693 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000531965654 1006550227 /nfs/dbraw/zinc/55/02/27/1006550227.db2.gz KLWJQIBRQJUSAI-QHCPKHFHSA-N 2 0 400.588 3.764 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000532015462 1006576994 /nfs/dbraw/zinc/57/69/94/1006576994.db2.gz MQYVEEQCXOEZBM-DHIUTWEWSA-N 2 0 420.557 3.908 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000534683483 1006662621 /nfs/dbraw/zinc/66/26/21/1006662621.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 2 0 420.601 3.985 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000515804331 1006684177 /nfs/dbraw/zinc/68/41/77/1006684177.db2.gz ACSDQEHHEUWFEV-OAQYLSRUSA-N 2 0 407.002 3.850 20 0 HHADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000538445522 1006712531 /nfs/dbraw/zinc/71/25/31/1006712531.db2.gz ORSINJPLFIVXEE-UHFFFAOYSA-N 2 0 402.336 3.775 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(Br)c21 ZINC000532197470 1006713732 /nfs/dbraw/zinc/71/37/32/1006713732.db2.gz QTSOTYWKOGCVSB-BEFAXECRSA-N 2 0 415.379 3.934 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OCC(F)(F)F)cc1 ZINC000532197298 1006713820 /nfs/dbraw/zinc/71/38/20/1006713820.db2.gz OBDJUMAJUAXSJP-INIZCTEOSA-N 2 0 408.468 3.625 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2cccc(C[NH+]3CCC(O)CC3)c2)CC1 ZINC000532294772 1006778084 /nfs/dbraw/zinc/77/80/84/1006778084.db2.gz KYJMZHOEMMWUBI-UHFFFAOYSA-N 2 0 422.617 3.787 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000532296023 1006778614 /nfs/dbraw/zinc/77/86/14/1006778614.db2.gz QTMUTUVMNRCMLH-UHFFFAOYSA-N 2 0 406.618 3.973 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793586 1006797436 /nfs/dbraw/zinc/79/74/36/1006797436.db2.gz LAAKKODIJWDSOC-LIRRHRJNSA-N 2 0 414.819 3.953 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538923 1006800547 /nfs/dbraw/zinc/80/05/47/1006800547.db2.gz QAUSZPGSVJLIIV-NRFANRHFSA-N 2 0 410.606 3.938 20 0 HHADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000532360917 1006819238 /nfs/dbraw/zinc/81/92/38/1006819238.db2.gz CDHCTGNPDDNDJN-OAQYLSRUSA-N 2 0 406.618 3.753 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000532374452 1006830579 /nfs/dbraw/zinc/83/05/79/1006830579.db2.gz YULISHCXGHJBQE-UHFFFAOYSA-N 2 0 404.986 3.527 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394824 1006842853 /nfs/dbraw/zinc/84/28/53/1006842853.db2.gz VWAIMJHOONUARS-SFTDATJTSA-N 2 0 414.638 3.905 20 0 HHADRP COc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc12 ZINC000538587346 1006854923 /nfs/dbraw/zinc/85/49/23/1006854923.db2.gz RBXRCKLGUNLFIO-DVECYGJZSA-N 2 0 419.569 3.788 20 0 HHADRP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2)n1 ZINC000538722016 1006997513 /nfs/dbraw/zinc/99/75/13/1006997513.db2.gz SIHHUEJOEQIHLS-UHFFFAOYSA-N 2 0 422.495 3.968 20 0 HHADRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000538751289 1007036046 /nfs/dbraw/zinc/03/60/46/1007036046.db2.gz BKDROGCZNDGAMC-UHFFFAOYSA-N 2 0 412.578 3.802 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000538853448 1007127018 /nfs/dbraw/zinc/12/70/18/1007127018.db2.gz KRYDAEDSEKNLAS-UHFFFAOYSA-N 2 0 415.626 3.842 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538855033 1007129270 /nfs/dbraw/zinc/12/92/70/1007129270.db2.gz JOEKHKOGLOQARW-OAQYLSRUSA-N 2 0 401.599 3.594 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000516557844 1007155268 /nfs/dbraw/zinc/15/52/68/1007155268.db2.gz IJIBMMSRTDUNLJ-FHWLQOOXSA-N 2 0 402.539 3.828 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000538917907 1007202551 /nfs/dbraw/zinc/20/25/51/1007202551.db2.gz MXKAHUQEYPRQOX-AWEZNQCLSA-N 2 0 407.411 3.612 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)c2)C1 ZINC000535201091 1007249289 /nfs/dbraw/zinc/24/92/89/1007249289.db2.gz OZASFNRVEOLCKR-GOSISDBHSA-N 2 0 423.454 3.832 20 0 HHADRP CN(c1ccccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1)C1CC[NH+](C)CC1 ZINC000532905426 1007281672 /nfs/dbraw/zinc/28/16/72/1007281672.db2.gz SECDZQMSQWNSNN-FQEVSTJZSA-N 2 0 403.636 3.751 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004839 1007302721 /nfs/dbraw/zinc/30/27/21/1007302721.db2.gz XVKGJUDJCZKUMR-NHCUHLMSSA-N 2 0 421.589 3.602 20 0 HHADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039712 1007337426 /nfs/dbraw/zinc/33/74/26/1007337426.db2.gz ZJLKIGJZVGJNBE-SFHVURJKSA-N 2 0 414.981 3.978 20 0 HHADRP O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532973913 1007343605 /nfs/dbraw/zinc/34/36/05/1007343605.db2.gz HAHGBYSXZFNRAD-JOCHJYFZSA-N 2 0 409.599 3.739 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539060416 1007353882 /nfs/dbraw/zinc/35/38/82/1007353882.db2.gz SFGQSVOVFMBBGV-TZYHBYERSA-N 2 0 416.610 3.979 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539076718 1007368100 /nfs/dbraw/zinc/36/81/00/1007368100.db2.gz HZMKHVHWBOKOKS-LJQANCHMSA-N 2 0 416.610 3.784 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1)CC(C)C ZINC000539096610 1007385949 /nfs/dbraw/zinc/38/59/49/1007385949.db2.gz IDJVHVYQUBYVRM-QFIPXVFZSA-N 2 0 401.595 3.706 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338823 1007390659 /nfs/dbraw/zinc/39/06/59/1007390659.db2.gz DKRNSFOGQFAEBU-ZEQRLZLVSA-N 2 0 406.574 3.917 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392607 /nfs/dbraw/zinc/39/26/07/1007392607.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 2 0 412.603 3.705 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393069 /nfs/dbraw/zinc/39/30/69/1007393069.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 2 0 412.603 3.705 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535341896 1007395792 /nfs/dbraw/zinc/39/57/92/1007395792.db2.gz XMJFVLMSQSXGQZ-RPWUZVMVSA-N 2 0 424.589 3.652 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039287 1007399796 /nfs/dbraw/zinc/39/97/96/1007399796.db2.gz FHWCCVJDJFSWTB-DEOSSOPVSA-N 2 0 414.553 3.736 20 0 HHADRP CC(C)[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163610 1007463585 /nfs/dbraw/zinc/46/35/85/1007463585.db2.gz SKHQCSLIBRBCOE-HSZRJFAPSA-N 2 0 408.546 3.638 20 0 HHADRP Cc1sc2nc([C@H](C)N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)nc(N)c2c1C ZINC000539197489 1007494700 /nfs/dbraw/zinc/49/47/00/1007494700.db2.gz JQBKGCANYMWUOQ-DZKIICNBSA-N 2 0 417.623 3.773 20 0 HHADRP Brc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000539201225 1007497046 /nfs/dbraw/zinc/49/70/46/1007497046.db2.gz RUCMOEBZVXCYBU-NRFANRHFSA-N 2 0 415.379 3.633 20 0 HHADRP COC(=O)c1oc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250041 1007541962 /nfs/dbraw/zinc/54/19/62/1007541962.db2.gz UWVPWCVDKZUYBT-GOSISDBHSA-N 2 0 405.583 3.564 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506113 1007561161 /nfs/dbraw/zinc/56/11/61/1007561161.db2.gz CAUNCKBFHKHBCS-GOSISDBHSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000517332438 1007573400 /nfs/dbraw/zinc/57/34/00/1007573400.db2.gz IRFGCYMSXRSMFL-ZRCGQRJVSA-N 2 0 412.622 3.981 20 0 HHADRP OC1(C(F)(F)F)CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000539296497 1007594120 /nfs/dbraw/zinc/59/41/20/1007594120.db2.gz ACAMGCOJOIALNP-UHFFFAOYSA-N 2 0 400.485 3.529 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539308414 1007606444 /nfs/dbraw/zinc/60/64/44/1007606444.db2.gz HXGIAJUYSIGSCZ-XZOQPEGZSA-N 2 0 400.588 3.861 20 0 HHADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000539374628 1007678706 /nfs/dbraw/zinc/67/87/06/1007678706.db2.gz DVJSDUIGDWZMKI-UHFFFAOYSA-N 2 0 421.585 3.730 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393888 1007699822 /nfs/dbraw/zinc/69/98/22/1007699822.db2.gz ISVFKNSDKIXLDQ-QFIPXVFZSA-N 2 0 409.530 3.602 20 0 HHADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535678367 1007704774 /nfs/dbraw/zinc/70/47/74/1007704774.db2.gz ACSANSSTCIIGCQ-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683958 1007714395 /nfs/dbraw/zinc/71/43/95/1007714395.db2.gz OCGVLQRKQUUVMU-PXNSSMCTSA-N 2 0 410.965 3.503 20 0 HHADRP C[N@H+](CCN1CC[NH+](CCOc2cccc3ccccc32)CC1)Cc1ccccc1 ZINC000517502946 1007724358 /nfs/dbraw/zinc/72/43/58/1007724358.db2.gz DIFVRJWEHVJOLO-UHFFFAOYSA-N 2 0 403.570 3.968 20 0 HHADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700517 1007737082 /nfs/dbraw/zinc/73/70/82/1007737082.db2.gz LUUHTQVREJEQKN-FXAWDEMLSA-N 2 0 412.981 3.890 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702601 1007739872 /nfs/dbraw/zinc/73/98/72/1007739872.db2.gz UUOFUUMVMPMTBP-NKMKZGIRSA-N 2 0 424.992 3.986 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000535705515 1007744953 /nfs/dbraw/zinc/74/49/53/1007744953.db2.gz SBQVWTBKWDFHOM-YADHBBJMSA-N 2 0 412.622 3.805 20 0 HHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000533439510 1007755495 /nfs/dbraw/zinc/75/54/95/1007755495.db2.gz OBKNMUDKIBCGIG-YADHBBJMSA-N 2 0 405.627 3.569 20 0 HHADRP Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000533448350 1007764618 /nfs/dbraw/zinc/76/46/18/1007764618.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 2 0 404.558 3.953 20 0 HHADRP Cn1c2ccc(Cl)cc2nc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484767 1007793949 /nfs/dbraw/zinc/79/39/49/1007793949.db2.gz WPVMZEMCPYQFPO-UHFFFAOYSA-N 2 0 418.029 3.855 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000517702544 1007917027 /nfs/dbraw/zinc/91/70/27/1007917027.db2.gz FPCYDJBUPUGEFU-UHFFFAOYSA-N 2 0 420.601 3.501 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000517724108 1007931163 /nfs/dbraw/zinc/93/11/63/1007931163.db2.gz IXUFMXIQHKAOTK-HSZRJFAPSA-N 2 0 416.610 3.594 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C2)CC1 ZINC000535935035 1007963146 /nfs/dbraw/zinc/96/31/46/1007963146.db2.gz GPPXWEFGOPPFLW-SBHAEUEKSA-N 2 0 404.624 3.504 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000517887423 1008030661 /nfs/dbraw/zinc/03/06/61/1008030661.db2.gz OCNUJWZRJAUEBD-LJQANCHMSA-N 2 0 414.516 3.729 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000533722331 1008049437 /nfs/dbraw/zinc/04/94/37/1008049437.db2.gz ZAYGFGILYFSTLM-DEOSSOPVSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000536017418 1008056520 /nfs/dbraw/zinc/05/65/20/1008056520.db2.gz JOJCRVQVASRRDR-NQHRYMMQSA-N 2 0 422.617 3.854 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517918046 1008056765 /nfs/dbraw/zinc/05/67/65/1008056765.db2.gz VDLBBXAITBKALJ-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518012233 1008102271 /nfs/dbraw/zinc/10/22/71/1008102271.db2.gz RUUWLWATQVEHDW-FQEVSTJZSA-N 2 0 404.986 3.621 20 0 HHADRP Cc1cnn([C@H]2CC[NH+](Cc3cccc(C[N@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014529 1008103338 /nfs/dbraw/zinc/10/33/38/1008103338.db2.gz MNOPFRFOHOOKGS-ZEQRLZLVSA-N 2 0 404.562 3.590 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC000539822499 1008116422 /nfs/dbraw/zinc/11/64/22/1008116422.db2.gz LZWVZVCXTQSQIY-UHFFFAOYSA-N 2 0 413.585 3.844 20 0 HHADRP O=C(COc1ccccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCCC1 ZINC000539851783 1008140337 /nfs/dbraw/zinc/14/03/37/1008140337.db2.gz AZRUVCSRAKNYSM-UHFFFAOYSA-N 2 0 413.606 3.776 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000518166090 1008191354 /nfs/dbraw/zinc/19/13/54/1008191354.db2.gz NFODNXQNOYBKHX-UHFFFAOYSA-N 2 0 422.017 3.725 20 0 HHADRP CCN1CC[C@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518222433 1008211327 /nfs/dbraw/zinc/21/13/27/1008211327.db2.gz RKKYNRSBWIBDPW-VXKWHMMOSA-N 2 0 411.009 3.620 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539977849 1008217850 /nfs/dbraw/zinc/21/78/50/1008217850.db2.gz VMLKCMSZTNDNPN-QHCPKHFHSA-N 2 0 415.626 3.840 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)CC1CC1 ZINC000540047561 1008257151 /nfs/dbraw/zinc/25/71/51/1008257151.db2.gz PZDRBSAGZDWMMQ-GOSISDBHSA-N 2 0 414.594 3.806 20 0 HHADRP C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540117854 1008296749 /nfs/dbraw/zinc/29/67/49/1008296749.db2.gz OGYPHICAYLEDOD-KRWDZBQOSA-N 2 0 415.559 3.514 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000540184258 1008326517 /nfs/dbraw/zinc/32/65/17/1008326517.db2.gz YMGGGYFWSLLJKZ-XXBNENTESA-N 2 0 402.579 3.804 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(C)=O ZINC000540191336 1008329430 /nfs/dbraw/zinc/32/94/30/1008329430.db2.gz PJXZLQFZWVINTR-FQEVSTJZSA-N 2 0 424.589 3.907 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520020 1008335678 /nfs/dbraw/zinc/33/56/78/1008335678.db2.gz QDBTWKCVMRRFFE-AZUAARDMSA-N 2 0 404.624 3.837 20 0 HHADRP C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518548680 1008344535 /nfs/dbraw/zinc/34/45/35/1008344535.db2.gz HNRSQHPZQSUSPO-BKFWDETESA-N 2 0 408.590 3.697 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000518626051 1008370208 /nfs/dbraw/zinc/37/02/08/1008370208.db2.gz CNDUXVYXYYVLLC-WIYYLYMNSA-N 2 0 407.002 3.993 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000518626049 1008370296 /nfs/dbraw/zinc/37/02/96/1008370296.db2.gz CNDUXVYXYYVLLC-NQIIRXRSSA-N 2 0 407.002 3.993 20 0 HHADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518652811 1008380481 /nfs/dbraw/zinc/38/04/81/1008380481.db2.gz FDCLTZHAFSXBPN-UHFFFAOYSA-N 2 0 403.570 3.945 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)CC1 ZINC000540410538 1008421742 /nfs/dbraw/zinc/42/17/42/1008421742.db2.gz PDAQCKBWHVFXOU-LJQANCHMSA-N 2 0 412.553 3.874 20 0 HHADRP CCC(CC)[C@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461403 1008441153 /nfs/dbraw/zinc/44/11/53/1008441153.db2.gz OOVXGDJLSXWVIN-PKTZIBPZSA-N 2 0 415.622 3.701 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1O2 ZINC000540468446 1008443128 /nfs/dbraw/zinc/44/31/28/1008443128.db2.gz QPNKEJKOMWNYKD-DNQXCXABSA-N 2 0 421.585 3.638 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)c1ccccc1O2 ZINC000540475004 1008446093 /nfs/dbraw/zinc/44/60/93/1008446093.db2.gz JHRRVIDUPKKYJF-QHCPKHFHSA-N 2 0 406.574 3.624 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccsc1 ZINC000518966774 1008489594 /nfs/dbraw/zinc/48/95/94/1008489594.db2.gz PLJZSHULEPAQPJ-LQCXBHPOSA-N 2 0 412.603 3.846 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000543068221 1008645827 /nfs/dbraw/zinc/64/58/27/1008645827.db2.gz URYBNQFBAVDMSB-GOSISDBHSA-N 2 0 409.530 3.576 20 0 HHADRP Cc1nccn1CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243333 1008813815 /nfs/dbraw/zinc/81/38/15/1008813815.db2.gz YVZIZRVSWFSMBE-VCYXJBJXSA-N 2 0 415.969 3.758 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000519556391 1008902611 /nfs/dbraw/zinc/90/26/11/1008902611.db2.gz FKTNSNIQULVZGR-FQEVSTJZSA-N 2 0 405.546 3.635 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543325584 1008908379 /nfs/dbraw/zinc/90/83/79/1008908379.db2.gz YPDSNIKZBLMTGL-OAHLLOKOSA-N 2 0 400.539 3.567 20 0 HHADRP COCCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000519706093 1008969255 /nfs/dbraw/zinc/96/92/55/1008969255.db2.gz KXDIQQFHILEBAQ-XMMPIXPASA-N 2 0 424.585 3.730 20 0 HHADRP C[C@@H](CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543381578 1008970349 /nfs/dbraw/zinc/97/03/49/1008970349.db2.gz ZKQRFUZWZLFCFU-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402284 1008993911 /nfs/dbraw/zinc/99/39/11/1008993911.db2.gz FVTOFIUSCGOBJY-DEOSSOPVSA-N 2 0 405.521 3.507 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000546166460 1009198034 /nfs/dbraw/zinc/19/80/34/1009198034.db2.gz QKWPANMYHCOKQP-GOTSBHOMSA-N 2 0 400.998 3.880 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589720 1009216874 /nfs/dbraw/zinc/21/68/74/1009216874.db2.gz VNFCBHFJUBITAY-FGZHOGPDSA-N 2 0 400.611 3.803 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707557 1009313955 /nfs/dbraw/zinc/31/39/55/1009313955.db2.gz BUZIUHDRWVZNFD-FQEVSTJZSA-N 2 0 406.368 3.749 20 0 HHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c1)O[C@@H](C)C2 ZINC000520210993 1009344884 /nfs/dbraw/zinc/34/48/84/1009344884.db2.gz LSLPIWGRCVLZPU-NRFANRHFSA-N 2 0 423.601 3.706 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000549844107 1009459728 /nfs/dbraw/zinc/45/97/28/1009459728.db2.gz CTPVGWHUACMLEK-HSZRJFAPSA-N 2 0 412.622 3.806 20 0 HHADRP c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868534 1009489316 /nfs/dbraw/zinc/48/93/16/1009489316.db2.gz YKBDNFREANNKNO-XMMPIXPASA-N 2 0 416.569 3.891 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000549903049 1009523480 /nfs/dbraw/zinc/52/34/80/1009523480.db2.gz CNPYJBTUTGZGLB-SANMLTNESA-N 2 0 421.585 3.825 20 0 HHADRP Cc1cccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189723 1009792242 /nfs/dbraw/zinc/79/22/42/1009792242.db2.gz JKRJULNKWFJHAK-ZJSXRUAMSA-N 2 0 405.586 3.954 20 0 HHADRP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000550280386 1009828812 /nfs/dbraw/zinc/82/88/12/1009828812.db2.gz LLBPXIWFMJNNKX-AWRGLXIESA-N 2 0 415.622 3.635 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000544332651 1009956215 /nfs/dbraw/zinc/95/62/15/1009956215.db2.gz UUWNGOANWNGUPG-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000520974070 1010016973 /nfs/dbraw/zinc/01/69/73/1010016973.db2.gz QQCVJICOOFOLGE-IBGZPJMESA-N 2 0 420.557 3.988 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000544487811 1010110953 /nfs/dbraw/zinc/11/09/53/1010110953.db2.gz LDRNBXNNWDIVLA-UHFFFAOYSA-N 2 0 400.394 3.722 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)CC1 ZINC000544487375 1010111012 /nfs/dbraw/zinc/11/10/12/1010111012.db2.gz DOUZTCWIHIBUTH-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP Cc1noc(C2CCC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882545 1010239352 /nfs/dbraw/zinc/23/93/52/1010239352.db2.gz NPTMZOXGRSUYOQ-KOENEWCDSA-N 2 0 424.589 3.923 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544621905 1010244836 /nfs/dbraw/zinc/24/48/36/1010244836.db2.gz LXKCDVBVYKRRJZ-UWJYYQICSA-N 2 0 407.002 3.849 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC3 ZINC000547318949 1010252128 /nfs/dbraw/zinc/25/21/28/1010252128.db2.gz FHEVWHCSMBCJCA-HXUWFJFHSA-N 2 0 419.569 3.780 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326749 1010254016 /nfs/dbraw/zinc/25/40/16/1010254016.db2.gz NMBOOZAVVSCBKN-OYRHEFFESA-N 2 0 415.622 3.672 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000550932779 1010264828 /nfs/dbraw/zinc/26/48/28/1010264828.db2.gz NIEAWPXDIJLFFU-NSQNTRMNSA-N 2 0 421.585 3.699 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544828265 1010419360 /nfs/dbraw/zinc/41/93/60/1010419360.db2.gz PAVOROWVFDBCLA-CVDCTZTESA-N 2 0 400.998 3.882 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826500 1010440225 /nfs/dbraw/zinc/44/02/25/1010440225.db2.gz PFDDECHHUFKVDB-FTBPSBKWSA-N 2 0 405.586 3.720 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551266605 1010483028 /nfs/dbraw/zinc/48/30/28/1010483028.db2.gz AEVBIHBDVAMXDC-INIZCTEOSA-N 2 0 406.368 3.629 20 0 HHADRP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154458 1010546800 /nfs/dbraw/zinc/54/68/00/1010546800.db2.gz FNBPUSWBAMQLKY-ZTCOLXNVSA-N 2 0 423.601 3.778 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000521687097 1010550730 /nfs/dbraw/zinc/55/07/30/1010550730.db2.gz KPYWWZSNENJQCH-KRWDZBQOSA-N 2 0 410.553 3.549 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000521785519 1010616629 /nfs/dbraw/zinc/61/66/29/1010616629.db2.gz NHOHERAYIKLXDA-XZOQPEGZSA-N 2 0 415.626 3.732 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000548410103 1010618006 /nfs/dbraw/zinc/61/80/06/1010618006.db2.gz GFFMIMOQJZAFLP-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521857865 1010666846 /nfs/dbraw/zinc/66/68/46/1010666846.db2.gz BATKICGRGCVPDU-DEOSSOPVSA-N 2 0 406.574 3.804 20 0 HHADRP CN(CC1CC[NH+](C)CC1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521867294 1010674572 /nfs/dbraw/zinc/67/45/72/1010674572.db2.gz KJUVMPVWUBDQJG-UHFFFAOYSA-N 2 0 414.638 3.705 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC3 ZINC000545192019 1010678955 /nfs/dbraw/zinc/67/89/55/1010678955.db2.gz VAXFUJWEOSISOW-NHCUHLMSSA-N 2 0 419.569 3.780 20 0 HHADRP CN(CCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000548606318 1010678968 /nfs/dbraw/zinc/67/89/68/1010678968.db2.gz XYWDTTNMNYOXPW-JOCHJYFZSA-N 2 0 416.516 3.918 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000545302354 1010721659 /nfs/dbraw/zinc/72/16/59/1010721659.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 2 0 402.627 3.905 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000521991082 1010752195 /nfs/dbraw/zinc/75/21/95/1010752195.db2.gz JAIBEQKRRVJCAG-HSZRJFAPSA-N 2 0 412.578 3.807 20 0 HHADRP Brc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000522239827 1010882796 /nfs/dbraw/zinc/88/27/96/1010882796.db2.gz JURGIDXVSZNFHZ-UHFFFAOYSA-N 2 0 417.395 3.532 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000522287883 1010908401 /nfs/dbraw/zinc/90/84/01/1010908401.db2.gz LGCASIBYTWCTMY-VWLOTQADSA-N 2 0 422.617 3.633 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000522318095 1010926598 /nfs/dbraw/zinc/92/65/98/1010926598.db2.gz QKSNQQOVWPRRJW-XUZZJYLKSA-N 2 0 408.590 3.904 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000522467075 1011030605 /nfs/dbraw/zinc/03/06/05/1011030605.db2.gz WMWBSMRZARXCAV-NRFANRHFSA-N 2 0 404.599 3.878 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202656 /nfs/dbraw/zinc/20/26/56/1011202656.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 2 0 424.511 3.624 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000540590389 1011246489 /nfs/dbraw/zinc/24/64/89/1011246489.db2.gz KQZBHAQUWSZADM-SANMLTNESA-N 2 0 421.585 3.779 20 0 HHADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)CN1CC[NH+](C)CC1 ZINC000536302358 1011490970 /nfs/dbraw/zinc/49/09/70/1011490970.db2.gz LMIJSCFIFDZEHK-UGSOOPFHSA-N 2 0 400.792 3.563 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303377 1011493035 /nfs/dbraw/zinc/49/30/35/1011493035.db2.gz MVPNAPYLEOFCLM-GOSISDBHSA-N 2 0 400.792 3.705 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990553 1011623961 /nfs/dbraw/zinc/62/39/61/1011623961.db2.gz NGFLEZYWMXTQIJ-QFBILLFUSA-N 2 0 403.558 3.973 20 0 HHADRP C[C@@H](O)C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536413852 1011627866 /nfs/dbraw/zinc/62/78/66/1011627866.db2.gz YEYAQBVRLKTVQI-UYAOXDASSA-N 2 0 401.982 3.736 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033231 1011667255 /nfs/dbraw/zinc/66/72/55/1011667255.db2.gz VIIDVUCEDHDRDM-GGAORHGYSA-N 2 0 416.610 3.929 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000523194912 1011680998 /nfs/dbraw/zinc/68/09/98/1011680998.db2.gz RVBJXVSYBGYBHW-OAQYLSRUSA-N 2 0 412.603 3.631 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494035 1011702788 /nfs/dbraw/zinc/70/27/88/1011702788.db2.gz VNBNORYOLQTBJO-HLIPFELVSA-N 2 0 410.965 3.598 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301038 1011780197 /nfs/dbraw/zinc/78/01/97/1011780197.db2.gz KNAPGNCUITTWKZ-DXIQSLLYSA-N 2 0 406.640 3.770 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301040 1011780425 /nfs/dbraw/zinc/78/04/25/1011780425.db2.gz KNAPGNCUITTWKZ-WOIUINJBSA-N 2 0 406.640 3.770 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000536663433 1011813682 /nfs/dbraw/zinc/81/36/82/1011813682.db2.gz KLYSGGLPSNEYPF-QHCPKHFHSA-N 2 0 409.622 3.770 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000541215101 1011886851 /nfs/dbraw/zinc/88/68/51/1011886851.db2.gz PPWNWJZJQUXWTJ-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724296 1011896020 /nfs/dbraw/zinc/89/60/20/1011896020.db2.gz FCZDEESPUJBLBB-MRXNPFEDSA-N 2 0 402.489 3.925 20 0 HHADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000536758535 1011953211 /nfs/dbraw/zinc/95/32/11/1011953211.db2.gz URGHZKXFVORWQN-UHFFFAOYSA-N 2 0 417.601 3.775 20 0 HHADRP CN(C)C(=O)COc1cccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000552048881 1012068701 /nfs/dbraw/zinc/06/87/01/1012068701.db2.gz BLKKKZWJOFLWQJ-UHFFFAOYSA-N 2 0 409.574 3.686 20 0 HHADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000536851943 1012083249 /nfs/dbraw/zinc/08/32/49/1012083249.db2.gz MKBJQEIIFWTGIX-MZLICYQSSA-N 2 0 409.574 3.873 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552071113 1012087939 /nfs/dbraw/zinc/08/79/39/1012087939.db2.gz PWDMMXZFFUSAJR-ZLLBNUPZSA-N 2 0 402.558 3.923 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)c1 ZINC000552071110 1012088230 /nfs/dbraw/zinc/08/82/30/1012088230.db2.gz PWDMMXZFFUSAJR-BUBGKSFDSA-N 2 0 402.558 3.923 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860030 1012094603 /nfs/dbraw/zinc/09/46/03/1012094603.db2.gz VWUVTJQRBIDAJV-LJQANCHMSA-N 2 0 415.603 3.918 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000541378973 1012095579 /nfs/dbraw/zinc/09/55/79/1012095579.db2.gz YRJKRWLEFROZLE-CYFREDJKSA-N 2 0 406.530 3.991 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000541378976 1012096369 /nfs/dbraw/zinc/09/63/69/1012096369.db2.gz YRJKRWLEFROZLE-YADARESESA-N 2 0 406.530 3.991 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)nnn1-c1ccccc1 ZINC000536875260 1012117843 /nfs/dbraw/zinc/11/78/43/1012117843.db2.gz GLJWZQXADOFELY-OAQYLSRUSA-N 2 0 418.589 3.829 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000523600899 1012166806 /nfs/dbraw/zinc/16/68/06/1012166806.db2.gz KQTMLTRXGYAAKX-WOJBJXKFSA-N 2 0 400.611 3.837 20 0 HHADRP C[C@H](CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541520640 1012301296 /nfs/dbraw/zinc/30/12/96/1012301296.db2.gz JVNZIPGYKBWLRN-JOCHJYFZSA-N 2 0 400.611 3.601 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000552309933 1012320342 /nfs/dbraw/zinc/32/03/42/1012320342.db2.gz BBUAGTZQPZHQJT-DHIUTWEWSA-N 2 0 416.610 3.642 20 0 HHADRP Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552332469 1012341135 /nfs/dbraw/zinc/34/11/35/1012341135.db2.gz SYUMKGLYQHJMPI-DFQSSKMNSA-N 2 0 403.368 3.536 20 0 HHADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000523791466 1012448466 /nfs/dbraw/zinc/44/84/66/1012448466.db2.gz ARVHBPDRVAZFKV-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000537108928 1012480476 /nfs/dbraw/zinc/48/04/76/1012480476.db2.gz PMKIOJBGNCNSFY-OAHLLOKOSA-N 2 0 420.479 3.535 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000552556874 1012569316 /nfs/dbraw/zinc/56/93/16/1012569316.db2.gz KKAXKRXWOQFVEH-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000523911386 1012629147 /nfs/dbraw/zinc/62/91/47/1012629147.db2.gz FBLQUPHZFURPPI-OAQYLSRUSA-N 2 0 408.590 3.985 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919150 1012779191 /nfs/dbraw/zinc/77/91/91/1012779191.db2.gz UKXIEJQYSJCWLI-DNVCBOLYSA-N 2 0 406.473 3.714 20 0 HHADRP CCOc1cc2[nH+]ccc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2cc1OCC ZINC000541932995 1012793979 /nfs/dbraw/zinc/79/39/79/1012793979.db2.gz DHEGCGMUPZOZSR-FQEVSTJZSA-N 2 0 421.541 3.633 20 0 HHADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541935679 1012797124 /nfs/dbraw/zinc/79/71/24/1012797124.db2.gz HHMWIAJGFOHHKX-SFHVURJKSA-N 2 0 413.468 3.745 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000542051778 1012961279 /nfs/dbraw/zinc/96/12/79/1012961279.db2.gz NECFMWJDJKSUDR-JOCHJYFZSA-N 2 0 406.590 3.972 20 0 HHADRP C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cc(Cl)sc1Cl ZINC000537486768 1012998235 /nfs/dbraw/zinc/99/82/35/1012998235.db2.gz PIXBLVBHLALQCS-CJNGLKHVSA-N 2 0 414.402 3.995 20 0 HHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000537507413 1013019887 /nfs/dbraw/zinc/01/98/87/1013019887.db2.gz ZBVWYSOPSIIPLQ-UHFFFAOYSA-N 2 0 417.553 3.943 20 0 HHADRP Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000553063221 1013036177 /nfs/dbraw/zinc/03/61/77/1013036177.db2.gz HDLBSVWNRZHKSJ-DEOSSOPVSA-N 2 0 421.585 3.756 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271721 1072044488 /nfs/dbraw/zinc/04/44/88/1072044488.db2.gz IFTJNDKNSWIXAP-RTWAWAEBSA-N 2 0 412.599 3.979 20 0 HHADRP CCc1cccc2c(C3CC[NH+](CC(=O)NC4CC[NH+](C5CC5)CC4)CC3)c[nH]c21 ZINC000615101625 1072152261 /nfs/dbraw/zinc/15/22/61/1072152261.db2.gz PQYGTGBJHFCCAB-UHFFFAOYSA-N 2 0 408.590 3.653 20 0 HHADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001168275526 1072156056 /nfs/dbraw/zinc/15/60/56/1072156056.db2.gz MHEOGESWKNEHAH-OAQYLSRUSA-N 2 0 422.658 3.514 20 0 HHADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[C@@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000570874845 1072400125 /nfs/dbraw/zinc/40/01/25/1072400125.db2.gz HOWZDBBDLMZKPV-QZTJIDSGSA-N 2 0 410.562 3.659 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccncc2)CC1 ZINC001142531865 1072427263 /nfs/dbraw/zinc/42/72/63/1072427263.db2.gz OHJFIUBHNSXXJT-BJKOFHAPSA-N 2 0 420.601 3.630 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168305506 1072476421 /nfs/dbraw/zinc/47/64/21/1072476421.db2.gz LXMCVMQRMYHIOY-UHFFFAOYSA-N 2 0 416.610 3.856 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC001168306071 1072477684 /nfs/dbraw/zinc/47/76/84/1072477684.db2.gz ZGCOOKNSLSZIHG-UHFFFAOYSA-N 2 0 408.384 3.516 20 0 HHADRP [NH3+]CC1CC[NH+](Cc2ccc(NCCc3ccc(Br)cn3)cc2)CC1 ZINC001168311472 1072489892 /nfs/dbraw/zinc/48/98/92/1072489892.db2.gz XKCQSFOYXPYADW-UHFFFAOYSA-N 2 0 403.368 3.669 20 0 HHADRP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168319014 1072498957 /nfs/dbraw/zinc/49/89/57/1072498957.db2.gz LFABNPMJUUXECS-UHFFFAOYSA-N 2 0 413.587 3.870 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)CC1 ZINC001168321274 1072502738 /nfs/dbraw/zinc/50/27/38/1072502738.db2.gz FJWICSUPVPSROF-AJTFCVKESA-N 2 0 418.969 3.762 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000571341894 1072607039 /nfs/dbraw/zinc/60/70/39/1072607039.db2.gz KNUPEXPFHMRTPL-DNQXCXABSA-N 2 0 418.585 3.587 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409594 1072830924 /nfs/dbraw/zinc/83/09/24/1072830924.db2.gz FVSOIMCXUAZCBY-NFBKMPQASA-N 2 0 400.611 3.975 20 0 HHADRP O[C@@H](CNC1CC[NH+](CC2CC2)CC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001168362647 1072878136 /nfs/dbraw/zinc/87/81/36/1072878136.db2.gz AGDJAFNSDDYRTK-SANMLTNESA-N 2 0 407.602 3.514 20 0 HHADRP CC(C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC001142613618 1072997319 /nfs/dbraw/zinc/99/73/19/1072997319.db2.gz XPQWOBTXFYPAGF-UHFFFAOYSA-N 2 0 416.569 3.841 20 0 HHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108753 1073196844 /nfs/dbraw/zinc/19/68/44/1073196844.db2.gz BRIIBJCXDBOFJS-SFTDATJTSA-N 2 0 402.604 3.867 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153008 1073205848 /nfs/dbraw/zinc/20/58/48/1073205848.db2.gz JKYHEAVWNWBJQZ-DHIUTWEWSA-N 2 0 400.611 3.566 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228034 1073273834 /nfs/dbraw/zinc/27/38/34/1073273834.db2.gz TVQONZCHQHWFSI-TWHAJKEOSA-N 2 0 402.579 3.895 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417711 1073451926 /nfs/dbraw/zinc/45/19/26/1073451926.db2.gz ISYVVWINPRWYRT-AUSIDOKSSA-N 2 0 419.585 3.558 20 0 HHADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000555563970 1073632245 /nfs/dbraw/zinc/63/22/45/1073632245.db2.gz UKMMUCRMEUQMRT-KNQAVFIVSA-N 2 0 402.579 3.635 20 0 HHADRP O=C(C[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000555612304 1073674824 /nfs/dbraw/zinc/67/48/24/1073674824.db2.gz VIDJRHWTWASWJP-NRFANRHFSA-N 2 0 403.998 3.870 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C3(C2)CCOCC3)cc1 ZINC000555612290 1073674842 /nfs/dbraw/zinc/67/48/42/1073674842.db2.gz KNPQSTZWYILIJO-XMMPIXPASA-N 2 0 420.601 3.700 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000600326284 1073760585 /nfs/dbraw/zinc/76/05/85/1073760585.db2.gz DHWAHXNOUMYQMV-UHFFFAOYSA-N 2 0 422.617 3.987 20 0 HHADRP CCN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760596543 1074145036 /nfs/dbraw/zinc/14/50/36/1074145036.db2.gz KURAVWFTTWXHTR-QFIPXVFZSA-N 2 0 421.589 3.567 20 0 HHADRP O=C(C[NH2+]C1(c2ccc(F)cc2)CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000591375906 1074272938 /nfs/dbraw/zinc/27/29/38/1074272938.db2.gz QFGHDJVZDPQXSB-UHFFFAOYSA-N 2 0 413.562 3.982 20 0 HHADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000591375519 1074273429 /nfs/dbraw/zinc/27/34/29/1074273429.db2.gz DEMQEYWXWJYPPI-UHFFFAOYSA-N 2 0 409.549 3.837 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419205 1074283249 /nfs/dbraw/zinc/28/32/49/1074283249.db2.gz GGLBYSMPKYLKAS-GGAORHGYSA-N 2 0 421.585 3.944 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591580922 1074424407 /nfs/dbraw/zinc/42/44/07/1074424407.db2.gz BPXBHVARWPCJPZ-VQTJNVASSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)N1CC[NH+](C)CC1 ZINC000591714552 1074479944 /nfs/dbraw/zinc/47/99/44/1074479944.db2.gz KWSHWZCCVCWTJQ-KRWDZBQOSA-N 2 0 405.945 3.784 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000591717194 1074480603 /nfs/dbraw/zinc/48/06/03/1074480603.db2.gz QRNNUOLBXGAUAN-UHFFFAOYSA-N 2 0 406.368 3.826 20 0 HHADRP Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074525992 /nfs/dbraw/zinc/52/59/92/1074525992.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 0 406.574 3.925 20 0 HHADRP COc1cccc(COc2cccc(Cl)c2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000592463746 1074761218 /nfs/dbraw/zinc/76/12/18/1074761218.db2.gz AFOVILIFNHJMMY-GOSISDBHSA-N 2 0 417.981 3.653 20 0 HHADRP C[C@H]1CCC[N@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592490624 1074770105 /nfs/dbraw/zinc/77/01/05/1074770105.db2.gz VWPSFNWHHKZOGH-SFHVURJKSA-N 2 0 407.002 3.583 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592559235 1074789252 /nfs/dbraw/zinc/78/92/52/1074789252.db2.gz DXCAWOUJHJHKSY-UHFFFAOYSA-N 2 0 421.029 3.925 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594290137 1075278286 /nfs/dbraw/zinc/27/82/86/1075278286.db2.gz QVIDMUBSQSOVGR-OAQYLSRUSA-N 2 0 404.986 3.574 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000602277194 1075725621 /nfs/dbraw/zinc/72/56/21/1075725621.db2.gz CKHDUUYBWUOFOI-QHCPKHFHSA-N 2 0 415.585 3.797 20 0 HHADRP CCOc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000602278093 1075725831 /nfs/dbraw/zinc/72/58/31/1075725831.db2.gz RUKLGPHTIBXVNK-QHCPKHFHSA-N 2 0 423.601 3.922 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602277283 1075725874 /nfs/dbraw/zinc/72/58/74/1075725874.db2.gz JIJLEHDRFGZZFS-QHCPKHFHSA-N 2 0 402.586 3.948 20 0 HHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000032750796 525839231 /nfs/dbraw/zinc/83/92/31/525839231.db2.gz XDZVHHLBJJDKMZ-UHFFFAOYSA-N 2 0 421.564 3.714 20 0 HHADRP C[N@H+](Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646397 719297007 /nfs/dbraw/zinc/29/70/07/719297007.db2.gz BEERFEIBVOXOEW-UPVQGACJSA-N 2 0 410.537 3.864 20 0 HHADRP Cc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]c1C ZINC001164681011 719664618 /nfs/dbraw/zinc/66/46/18/719664618.db2.gz LEQXMHBMODTAMU-NRFANRHFSA-N 2 0 420.601 3.792 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164711727 720136008 /nfs/dbraw/zinc/13/60/08/720136008.db2.gz IMVSABGCFFHKHJ-HXUWFJFHSA-N 2 0 405.546 3.774 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1 ZINC001164843000 720740318 /nfs/dbraw/zinc/74/03/18/720740318.db2.gz HBGLYFOXYJNTEO-JOCHJYFZSA-N 2 0 408.594 3.877 20 0 HHADRP Cc1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754502 720870858 /nfs/dbraw/zinc/87/08/58/720870858.db2.gz RYJDYAAFBJLMHS-ZCYQVOJMSA-N 2 0 406.574 3.849 20 0 HHADRP Cc1cccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777005 721329582 /nfs/dbraw/zinc/32/95/82/721329582.db2.gz JWCCRXIACVALTE-RCZVLFRGSA-N 2 0 422.573 3.524 20 0 HHADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4[nH]ccc43)C2)C1 ZINC001164777176 721353248 /nfs/dbraw/zinc/35/32/48/721353248.db2.gz DXTLUVSVZPQHFW-HSZRJFAPSA-N 2 0 409.534 3.595 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001165027852 721823034 /nfs/dbraw/zinc/82/30/34/721823034.db2.gz UEPFLCHHEOWQHO-GMKZXUHWSA-N 2 0 405.590 3.809 20 0 HHADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164997304 722206739 /nfs/dbraw/zinc/20/67/39/722206739.db2.gz YYQVGNJWPVIKER-QFIPXVFZSA-N 2 0 400.929 3.765 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000302929053 971401830 /nfs/dbraw/zinc/40/18/30/971401830.db2.gz FOQWMXUNKULIAH-UHFFFAOYSA-N 2 0 403.574 3.683 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000542148807 1013084705 /nfs/dbraw/zinc/08/47/05/1013084705.db2.gz UMUVSWOLSDLAPO-QGZVFWFLSA-N 2 0 412.578 3.749 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050874 971476916 /nfs/dbraw/zinc/47/69/16/971476916.db2.gz VCVIKNKCVUJJIM-DENIHFKCSA-N 2 0 401.501 3.596 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303179534 971545142 /nfs/dbraw/zinc/54/51/42/971545142.db2.gz KBKDWBOHDUKYDN-RTWAWAEBSA-N 2 0 402.583 3.714 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303293128 971605453 /nfs/dbraw/zinc/60/54/53/971605453.db2.gz MXYUBCOYWJLGRL-WOJBJXKFSA-N 2 0 404.624 3.620 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491487 971789543 /nfs/dbraw/zinc/78/95/43/971789543.db2.gz SFYRPTSGAWBIQZ-OFNKIYASSA-N 2 0 424.589 3.652 20 0 HHADRP CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000537619338 1013162516 /nfs/dbraw/zinc/16/25/16/1013162516.db2.gz CWGQRAOULKNWJZ-UHFFFAOYSA-N 2 0 403.611 3.722 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000537660476 1013221985 /nfs/dbraw/zinc/22/19/85/1013221985.db2.gz FLYJDPNWAJVSBZ-UHFFFAOYSA-N 2 0 402.558 3.951 20 0 HHADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000537728013 1013288310 /nfs/dbraw/zinc/28/83/10/1013288310.db2.gz FSEKTMOTJVDMJA-DEOSSOPVSA-N 2 0 407.558 3.858 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843544 1013405284 /nfs/dbraw/zinc/40/52/84/1013405284.db2.gz ADHVXYKWUQUWAQ-PMACEKPBSA-N 2 0 424.589 3.894 20 0 HHADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466078 1013413461 /nfs/dbraw/zinc/41/34/61/1013413461.db2.gz FTSGTHXBKNMJSR-INIZCTEOSA-N 2 0 411.449 3.824 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000048711071 964034330 /nfs/dbraw/zinc/03/43/30/964034330.db2.gz HCYMAPJCQALSTA-QFIPXVFZSA-N 2 0 404.002 3.504 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000537969207 1013546590 /nfs/dbraw/zinc/54/65/90/1013546590.db2.gz PQXJGBRWYSDUGE-WOJBJXKFSA-N 2 0 409.574 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000537970446 1013547488 /nfs/dbraw/zinc/54/74/88/1013547488.db2.gz VINNIARKBGLGNT-IBGZPJMESA-N 2 0 402.542 3.891 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889437 965573204 /nfs/dbraw/zinc/57/32/04/965573204.db2.gz FUNRYFGAKMEPEU-WOJBJXKFSA-N 2 0 401.595 3.849 20 0 HHADRP c1ccc([C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000542697210 1013614825 /nfs/dbraw/zinc/61/48/25/1013614825.db2.gz HPSWULUKNLDOFM-RUZDIDTESA-N 2 0 402.542 3.873 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000060381455 966123509 /nfs/dbraw/zinc/12/35/09/966123509.db2.gz KQFNKXDLNOQYEO-FQEVSTJZSA-N 2 0 409.574 3.544 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000060566639 966208309 /nfs/dbraw/zinc/20/83/09/966208309.db2.gz NJFMTAOOJKKSTI-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058158 1013635064 /nfs/dbraw/zinc/63/50/64/1013635064.db2.gz RNJNRUKJNAVHMK-ROUUACIJSA-N 2 0 401.576 3.559 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000061220561 966400153 /nfs/dbraw/zinc/40/01/53/966400153.db2.gz NLKXYECWQSNYMO-QHCPKHFHSA-N 2 0 412.553 3.914 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000542746021 1013656905 /nfs/dbraw/zinc/65/69/05/1013656905.db2.gz OCYFAIFZZRQSJX-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP O=C(COc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)N1CCCC1 ZINC000061557066 966501178 /nfs/dbraw/zinc/50/11/78/966501178.db2.gz NSABUYVDJKOPSK-UHFFFAOYSA-N 2 0 407.558 3.573 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000056932152 966518703 /nfs/dbraw/zinc/51/87/03/966518703.db2.gz YQNDAUGTOLXJIE-QFIPXVFZSA-N 2 0 416.610 3.596 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)[NH+]1CCCCC1 ZINC000056932230 966519268 /nfs/dbraw/zinc/51/92/68/966519268.db2.gz QZUJCJXRAYIDRF-QFIPXVFZSA-N 2 0 416.610 3.642 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000061791687 966555618 /nfs/dbraw/zinc/55/56/18/966555618.db2.gz IJWLUJSEJFACPH-IBGZPJMESA-N 2 0 404.624 3.520 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000061795729 966558340 /nfs/dbraw/zinc/55/83/40/966558340.db2.gz SXNSPSMJXJWROR-HXUWFJFHSA-N 2 0 400.592 3.836 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000061868865 966568615 /nfs/dbraw/zinc/56/86/15/966568615.db2.gz LTSNLROUVHHJPR-HXUWFJFHSA-N 2 0 408.590 3.980 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000062428991 966674023 /nfs/dbraw/zinc/67/40/23/966674023.db2.gz VGHSSWLPWGCLGK-OAQYLSRUSA-N 2 0 413.566 3.626 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)o1 ZINC000042743779 966841121 /nfs/dbraw/zinc/84/11/21/966841121.db2.gz FHBIPGNDHJQKBS-OALUTQOASA-N 2 0 413.562 3.661 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000042743776 966841423 /nfs/dbraw/zinc/84/14/23/966841423.db2.gz FHBIPGNDHJQKBS-RTBURBONSA-N 2 0 413.562 3.661 20 0 HHADRP CCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441584 966858515 /nfs/dbraw/zinc/85/85/15/966858515.db2.gz KOPJAVMFYZIKAC-UHFFFAOYSA-O 2 0 410.607 3.776 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929684 966870818 /nfs/dbraw/zinc/87/08/18/966870818.db2.gz GBOOTHIOTAQEAG-NHCUHLMSSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000042929681 966870945 /nfs/dbraw/zinc/87/09/45/966870945.db2.gz GBOOTHIOTAQEAG-SFTDATJTSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cnc(N(C)C)s3)cc2)C[C@H]1C ZINC000538122803 1013685147 /nfs/dbraw/zinc/68/51/47/1013685147.db2.gz RPVLHQURBWMDIV-HDICACEKSA-N 2 0 402.608 3.508 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542830217 1013695849 /nfs/dbraw/zinc/69/58/49/1013695849.db2.gz WRJRGDVYSMYONG-DJPFJPOOSA-N 2 0 407.002 3.895 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000063914745 966996058 /nfs/dbraw/zinc/99/60/58/966996058.db2.gz CJBSLQNBWPTEPI-UHFFFAOYSA-N 2 0 407.558 3.639 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000064229459 967095459 /nfs/dbraw/zinc/09/54/59/967095459.db2.gz CLJBSTWBBARUEA-UHFFFAOYSA-N 2 0 400.542 3.551 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[NH+](C)C)c1 ZINC000064237573 967102284 /nfs/dbraw/zinc/10/22/84/967102284.db2.gz FYZDBUKYQNSQQC-ZEQRLZLVSA-N 2 0 424.589 3.743 20 0 HHADRP Cc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705091 /nfs/dbraw/zinc/70/50/91/1013705091.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 2 0 401.986 3.563 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000542850552 1013709075 /nfs/dbraw/zinc/70/90/75/1013709075.db2.gz YXESRPITXBBMHA-MAUKXSAKSA-N 2 0 419.363 3.875 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[NH+](C)C)cc1 ZINC000064644411 967257504 /nfs/dbraw/zinc/25/75/04/967257504.db2.gz WVRGYALRCYKSHM-UGKGYDQZSA-N 2 0 414.619 3.871 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000065522918 967506472 /nfs/dbraw/zinc/50/64/72/967506472.db2.gz BJXHLQHFNWGJDI-NMMYMHLASA-N 2 0 406.574 3.568 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000045758051 967548312 /nfs/dbraw/zinc/54/83/12/967548312.db2.gz JYERQOGCSNEDJC-UHFFFAOYSA-N 2 0 408.590 3.733 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000045790113 967553692 /nfs/dbraw/zinc/55/36/92/967553692.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 2 0 408.590 3.944 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000046346467 967756355 /nfs/dbraw/zinc/75/63/55/967756355.db2.gz HQBOTRKVDGYGSM-NRFANRHFSA-N 2 0 400.592 3.577 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211290 1013764452 /nfs/dbraw/zinc/76/44/52/1013764452.db2.gz SWABPWOOGCRIGA-KOSHJBKYSA-N 2 0 424.564 3.638 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000047871620 968348301 /nfs/dbraw/zinc/34/83/01/968348301.db2.gz WFEBWWXBJNWYGC-RTBURBONSA-N 2 0 404.580 3.860 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000047884071 968351024 /nfs/dbraw/zinc/35/10/24/968351024.db2.gz OWTZTXFBUYLYKZ-BGYRXZFFSA-N 2 0 400.611 3.837 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000554109104 1013801573 /nfs/dbraw/zinc/80/15/73/1013801573.db2.gz MGTIXQYVWDLDJI-IEBWSBKVSA-N 2 0 420.001 3.572 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000554109100 1013801408 /nfs/dbraw/zinc/80/14/08/1013801408.db2.gz MGTIXQYVWDLDJI-HKUYNNGSSA-N 2 0 420.001 3.572 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000065976655 968747184 /nfs/dbraw/zinc/74/71/84/968747184.db2.gz MQWOKQOTEIMHDZ-UHFFFAOYSA-N 2 0 409.574 3.818 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292719 1013828017 /nfs/dbraw/zinc/82/80/17/1013828017.db2.gz ALFPUDBILSTEHW-FQEVSTJZSA-N 2 0 404.514 3.857 20 0 HHADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027241 968940558 /nfs/dbraw/zinc/94/05/58/968940558.db2.gz FSFAXUWLRUKWRH-BJKOFHAPSA-N 2 0 407.558 3.613 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626737 969049599 /nfs/dbraw/zinc/04/95/99/969049599.db2.gz BLMYSAOCTZYVNX-NRFANRHFSA-N 2 0 424.564 3.818 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554259691 1013880867 /nfs/dbraw/zinc/88/08/67/1013880867.db2.gz DMAXGLFITWTDLG-VQTJNVASSA-N 2 0 402.514 3.548 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1)C(C)C ZINC000110172654 969632705 /nfs/dbraw/zinc/63/27/05/969632705.db2.gz BHQHCGUNLIKQQH-UHFFFAOYSA-N 2 0 422.617 3.859 20 0 HHADRP O=C(NCCC[NH+]1CCCCCC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000111067648 969770534 /nfs/dbraw/zinc/77/05/34/969770534.db2.gz OYLZDVBTQDPFOE-OAQYLSRUSA-N 2 0 411.512 3.823 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000554320377 1013909297 /nfs/dbraw/zinc/90/92/97/1013909297.db2.gz WYFCCLLWWOHVQG-UHFFFAOYSA-N 2 0 422.392 3.626 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000142190212 970144890 /nfs/dbraw/zinc/14/48/90/970144890.db2.gz HIKIILVYKGCJQZ-OAQYLSRUSA-N 2 0 418.582 3.701 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000142201734 970145922 /nfs/dbraw/zinc/14/59/22/970145922.db2.gz AXJRJJBJQWBWOE-IBGZPJMESA-N 2 0 406.621 3.624 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000236629201 970149146 /nfs/dbraw/zinc/14/91/46/970149146.db2.gz LTDPCBNENKJAQM-UHFFFAOYSA-N 2 0 404.002 3.765 20 0 HHADRP CC1(C)Cc2cc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)ccc2O1 ZINC000236694201 970156727 /nfs/dbraw/zinc/15/67/27/970156727.db2.gz YOFDMQFBCCEJEN-UHFFFAOYSA-N 2 0 407.558 3.516 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2Cn2cccn2)CC1 ZINC000236814184 970175797 /nfs/dbraw/zinc/17/57/97/970175797.db2.gz MXDCKGNZKXEHEO-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236840000 970179664 /nfs/dbraw/zinc/17/96/64/970179664.db2.gz HEOQUZRHDDBKEV-QFIPXVFZSA-N 2 0 417.601 3.903 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236849199 970180156 /nfs/dbraw/zinc/18/01/56/970180156.db2.gz BITDYVPZKRKLPP-IBGZPJMESA-N 2 0 409.603 3.716 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236947908 970192868 /nfs/dbraw/zinc/19/28/68/970192868.db2.gz VSJJKGGDLDRDPJ-SFHVURJKSA-N 2 0 418.029 3.565 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236952530 970194176 /nfs/dbraw/zinc/19/41/76/970194176.db2.gz YRNYRLKSWPKREC-GOSISDBHSA-N 2 0 418.029 3.565 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)CC1 ZINC000236972665 970196850 /nfs/dbraw/zinc/19/68/50/970196850.db2.gz WZETUWHRQGFHGP-INIZCTEOSA-N 2 0 424.420 3.662 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000237083940 970219641 /nfs/dbraw/zinc/21/96/41/970219641.db2.gz HZHDPIYRZHIXHM-UHFFFAOYSA-N 2 0 403.574 3.575 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]CC3=Cc4cc(Cl)cc(Cl)c4OC3)ccn2)CC1 ZINC000237103323 970223263 /nfs/dbraw/zinc/22/32/63/970223263.db2.gz WDPQJIPBGPICRO-UHFFFAOYSA-N 2 0 419.356 3.706 20 0 HHADRP S=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145484457 970262152 /nfs/dbraw/zinc/26/21/52/970262152.db2.gz ADTQMVIPQHWOBX-NRFANRHFSA-N 2 0 412.603 3.545 20 0 HHADRP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000237331660 970264384 /nfs/dbraw/zinc/26/43/84/970264384.db2.gz VBBYHXSHNUFSCJ-JOCHJYFZSA-N 2 0 417.553 3.836 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cc2)c1 ZINC000237357365 970269562 /nfs/dbraw/zinc/26/95/62/970269562.db2.gz VYQRNDCFUUKETG-UHFFFAOYSA-N 2 0 413.562 3.613 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@@H](C)O1 ZINC000237403127 970278433 /nfs/dbraw/zinc/27/84/33/970278433.db2.gz NYZFPTUFOOFGNT-DBXWQHBBSA-N 2 0 410.986 3.877 20 0 HHADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000554546126 1013975043 /nfs/dbraw/zinc/97/50/43/1013975043.db2.gz YRBFLBZUBRPSKR-XMMPIXPASA-N 2 0 410.558 3.651 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000237560822 970313417 /nfs/dbraw/zinc/31/34/17/970313417.db2.gz HEYJHUIXAIJMCJ-GOSISDBHSA-N 2 0 418.029 3.932 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237589053 970317821 /nfs/dbraw/zinc/31/78/21/970317821.db2.gz NIJIDZIBJNEQCI-JOCHJYFZSA-N 2 0 417.601 3.821 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000149016841 970378851 /nfs/dbraw/zinc/37/88/51/970378851.db2.gz AQFDKOWJMMYXPU-UYAOXDASSA-N 2 0 416.591 3.689 20 0 HHADRP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237881568 970388304 /nfs/dbraw/zinc/38/83/04/970388304.db2.gz VHISTISLAWNVSJ-UHFFFAOYSA-N 2 0 421.564 3.903 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237884277 970389268 /nfs/dbraw/zinc/38/92/68/970389268.db2.gz GXKGUPBRKBSKOO-UHFFFAOYSA-N 2 0 405.464 3.821 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)c2)C1 ZINC000237924102 970395491 /nfs/dbraw/zinc/39/54/91/970395491.db2.gz AATFGKVTAJDFAG-HSZRJFAPSA-N 2 0 421.585 3.995 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237977859 970409617 /nfs/dbraw/zinc/40/96/17/970409617.db2.gz VXPAOSTZLOWXKW-XMMPIXPASA-N 2 0 404.558 3.866 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379356 970636007 /nfs/dbraw/zinc/63/60/07/970636007.db2.gz BOZGEHAUQQVGHU-QGZVFWFLSA-N 2 0 422.639 3.529 20 0 HHADRP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)CC1CC1 ZINC000261412458 970661428 /nfs/dbraw/zinc/66/14/28/970661428.db2.gz KZDWZJIYZCZAJA-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP Cc1cc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2[nH+]1 ZINC000301128770 970761845 /nfs/dbraw/zinc/76/18/45/970761845.db2.gz WHDMBPOMZMSOAN-NRFANRHFSA-N 2 0 401.558 3.977 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000409530359 972986487 /nfs/dbraw/zinc/98/64/87/972986487.db2.gz XMHJFRAHWNQCHG-QHCPKHFHSA-N 2 0 424.589 3.525 20 0 HHADRP FC(F)(F)c1cc(Br)ccc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000410070783 973550138 /nfs/dbraw/zinc/55/01/38/973550138.db2.gz ZWWRCRHRTMXQOQ-UHFFFAOYSA-N 2 0 406.290 3.590 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000410315235 973859859 /nfs/dbraw/zinc/85/98/59/973859859.db2.gz TXUIXJQWYPWKGG-UHFFFAOYSA-N 2 0 408.590 3.781 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)CC1 ZINC000425913187 974026777 /nfs/dbraw/zinc/02/67/77/974026777.db2.gz GDBRYXJLCLBKFV-UHFFFAOYSA-N 2 0 422.411 3.537 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995997 974110240 /nfs/dbraw/zinc/11/02/40/974110240.db2.gz NXSIUMKCLISUEY-NVXWUHKLSA-N 2 0 420.545 3.705 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426129672 974251373 /nfs/dbraw/zinc/25/13/73/974251373.db2.gz VUUSVMDCKSHLGD-RTWAWAEBSA-N 2 0 400.567 3.642 20 0 HHADRP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000426302178 974382287 /nfs/dbraw/zinc/38/22/87/974382287.db2.gz HFXKQTOSFNQQCB-YFNKSVMNSA-N 2 0 401.554 3.929 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000426409408 974436294 /nfs/dbraw/zinc/43/62/94/974436294.db2.gz GZDUNDIDQGACIJ-REWPJTCUSA-N 2 0 411.590 3.690 20 0 HHADRP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426766163 974644259 /nfs/dbraw/zinc/64/42/59/974644259.db2.gz XJMKITFZRNUYOC-NJYVYQBISA-N 2 0 413.606 3.566 20 0 HHADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426813953 974680257 /nfs/dbraw/zinc/68/02/57/974680257.db2.gz AXWQEWURLWSFMJ-AQNXPRMDSA-N 2 0 424.589 3.773 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426827105 974692102 /nfs/dbraw/zinc/69/21/02/974692102.db2.gz HIPLNYUILHMBMR-CEXWTWQISA-N 2 0 422.013 3.556 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884845 974730779 /nfs/dbraw/zinc/73/07/79/974730779.db2.gz WIWDXIKTPYSSPV-NSISKUIASA-N 2 0 409.496 3.831 20 0 HHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000427705712 975245835 /nfs/dbraw/zinc/24/58/35/975245835.db2.gz JXRODDVVBXBLQO-AWEZNQCLSA-N 2 0 410.331 3.817 20 0 HHADRP Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427932127 975355695 /nfs/dbraw/zinc/35/56/95/975355695.db2.gz NWBFKILDZOAQKM-QFIPXVFZSA-N 2 0 409.578 3.697 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000428245029 975562286 /nfs/dbraw/zinc/56/22/86/975562286.db2.gz ZYXHSPIMQQKUSE-GVAUOCQISA-N 2 0 420.601 3.699 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428270327 975584231 /nfs/dbraw/zinc/58/42/31/975584231.db2.gz MYNDNPOCCQTXAH-QMMLZNLJSA-N 2 0 400.592 3.703 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283287 975597211 /nfs/dbraw/zinc/59/72/11/975597211.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 2 0 420.601 3.787 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429022788 976304176 /nfs/dbraw/zinc/30/41/76/976304176.db2.gz AACAXYBYUJGEER-DYESRHJHSA-N 2 0 422.976 3.646 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c(Br)cccc34)C2)CC1 ZINC000429042075 976327625 /nfs/dbraw/zinc/32/76/25/976327625.db2.gz CZXQNBDDYOBISC-SFHVURJKSA-N 2 0 402.380 3.814 20 0 HHADRP Cc1cc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000429334117 976598369 /nfs/dbraw/zinc/59/83/69/976598369.db2.gz WGEQPDBUTRALOM-DEOSSOPVSA-N 2 0 424.593 3.634 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1Br ZINC000429448011 976725070 /nfs/dbraw/zinc/72/50/70/976725070.db2.gz SSPYDUREZFVGTP-QGZVFWFLSA-N 2 0 409.412 3.987 20 0 HHADRP Cc1cnccc1OC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000429720969 977011230 /nfs/dbraw/zinc/01/12/30/977011230.db2.gz JFJWCYJLFCWIBD-UHFFFAOYSA-N 2 0 407.558 3.715 20 0 HHADRP Fc1ccc(C[N@@H+]2CCCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000429720845 977011363 /nfs/dbraw/zinc/01/13/63/977011363.db2.gz IVGFUNGETUJRCL-RUZDIDTESA-N 2 0 411.565 3.625 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430912344 977880874 /nfs/dbraw/zinc/88/08/74/977880874.db2.gz HEBJBBLLJODBDF-UHFFFAOYSA-N 2 0 418.601 3.591 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000430924051 977890762 /nfs/dbraw/zinc/89/07/62/977890762.db2.gz HQDLZSCFWRGBED-UHFFFAOYSA-N 2 0 422.617 3.906 20 0 HHADRP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430930703 977894976 /nfs/dbraw/zinc/89/49/76/977894976.db2.gz YDJHVHQYQXNOTI-IBGZPJMESA-N 2 0 411.594 3.926 20 0 HHADRP CCN(C(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430932645 977897467 /nfs/dbraw/zinc/89/74/67/977897467.db2.gz ZNOOYKGPGKYYTJ-OAQYLSRUSA-N 2 0 414.638 3.556 20 0 HHADRP CC(C)c1ccccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430936705 977900274 /nfs/dbraw/zinc/90/02/74/977900274.db2.gz WBDJISMWYWBZOQ-UHFFFAOYSA-N 2 0 414.638 3.877 20 0 HHADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431097750 978016888 /nfs/dbraw/zinc/01/68/88/978016888.db2.gz DUGPEHFSWMOQAK-NRFANRHFSA-N 2 0 416.614 3.624 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114243 978026923 /nfs/dbraw/zinc/02/69/23/978026923.db2.gz KVHOUMKEXPSGAV-PMACEKPBSA-N 2 0 416.614 3.577 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114245 978027097 /nfs/dbraw/zinc/02/70/97/978027097.db2.gz KVHOUMKEXPSGAV-VQTJNVASSA-N 2 0 416.614 3.577 20 0 HHADRP Cc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431154427 978055238 /nfs/dbraw/zinc/05/52/38/978055238.db2.gz VRAOOWOEGKBOJC-UHFFFAOYSA-N 2 0 424.593 3.587 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000431330353 978215215 /nfs/dbraw/zinc/21/52/15/978215215.db2.gz VRYWZDZSNPKNOF-FQEVSTJZSA-N 2 0 400.954 3.799 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431354780 978231892 /nfs/dbraw/zinc/23/18/92/978231892.db2.gz ZMWGWMVPZIZZGX-VWLOTQADSA-N 2 0 405.586 3.926 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677694 978430674 /nfs/dbraw/zinc/43/06/74/978430674.db2.gz FGCGIHFWFKHZTK-IFMALSPDSA-N 2 0 424.589 3.939 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000431920822 978602236 /nfs/dbraw/zinc/60/22/36/978602236.db2.gz VKLDBZDPELXNDY-FGZHOGPDSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000431956724 978618333 /nfs/dbraw/zinc/61/83/33/978618333.db2.gz VCSRRTXDKSQOAY-RBBKRZOGSA-N 2 0 422.658 3.610 20 0 HHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432357381 978775997 /nfs/dbraw/zinc/77/59/97/978775997.db2.gz LMSXBZGUUPQZBH-NRFANRHFSA-N 2 0 419.573 3.584 20 0 HHADRP COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432785810 978973846 /nfs/dbraw/zinc/97/38/46/978973846.db2.gz NAMKYOHPTAEDOS-ZEQRLZLVSA-N 2 0 416.654 3.527 20 0 HHADRP CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871653 978997327 /nfs/dbraw/zinc/99/73/27/978997327.db2.gz LWMHPONFWIZHBO-UGKGYDQZSA-N 2 0 415.603 3.594 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCC1(c2ccccc2)CC1 ZINC000433078150 979061210 /nfs/dbraw/zinc/06/12/10/979061210.db2.gz UVUXKOLIDVZGJV-UHFFFAOYSA-N 2 0 417.597 3.823 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000433186578 979127489 /nfs/dbraw/zinc/12/74/89/979127489.db2.gz FLCHTOKRFVVIDI-FQEVSTJZSA-N 2 0 423.523 3.775 20 0 HHADRP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433215103 979148059 /nfs/dbraw/zinc/14/80/59/979148059.db2.gz WXEQHZKJCHUIII-HSZRJFAPSA-N 2 0 424.585 3.813 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916932 979678120 /nfs/dbraw/zinc/67/81/20/979678120.db2.gz BUZXBLUSUDDOFT-PLMTUMEDSA-N 2 0 422.976 3.788 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435284963 980759958 /nfs/dbraw/zinc/75/99/58/980759958.db2.gz MKLURFYXYUEWQZ-UNMCSNQZSA-N 2 0 409.578 3.842 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000435781503 981028683 /nfs/dbraw/zinc/02/86/83/981028683.db2.gz KKDMAUVWWRTVJX-UHFFFAOYSA-N 2 0 423.605 3.566 20 0 HHADRP O=C(c1ccccc1O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000436827149 981579138 /nfs/dbraw/zinc/57/91/38/981579138.db2.gz JNVBDBWUUBTDAB-NOTZXAQLSA-N 2 0 419.569 3.782 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448206417 981618601 /nfs/dbraw/zinc/61/86/01/981618601.db2.gz UZAMBXSHPHUXIZ-ZYKOEDHHSA-N 2 0 410.606 3.870 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448209906 981623534 /nfs/dbraw/zinc/62/35/34/981623534.db2.gz VULBRYWCTIRLGF-SIKLNZKXSA-N 2 0 416.635 3.618 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043802 981714241 /nfs/dbraw/zinc/71/42/41/981714241.db2.gz WCSJKJWLPYMDCF-LOSJGSFVSA-N 2 0 405.586 3.879 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448460554 981793781 /nfs/dbraw/zinc/79/37/81/981793781.db2.gz CTSVCKMCWCSVPX-SLFFLAALSA-N 2 0 406.640 3.893 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000448461319 981794674 /nfs/dbraw/zinc/79/46/74/981794674.db2.gz KJRGVICNCPNJFD-OFNKIYASSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)C1 ZINC000448460848 981794711 /nfs/dbraw/zinc/79/47/11/981794711.db2.gz GLOLSTOIAWORNK-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466221 981800618 /nfs/dbraw/zinc/80/06/18/981800618.db2.gz LRIOBSGGHHHGJM-NHTMILBNSA-N 2 0 410.606 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000448465793 981800853 /nfs/dbraw/zinc/80/08/53/981800853.db2.gz JNSWEHQNSGGOBB-QTEQDKRBSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448467823 981803955 /nfs/dbraw/zinc/80/39/55/981803955.db2.gz RRYWRGSSIYFOQN-AKIFATBCSA-N 2 0 400.611 3.831 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000448468168 981805281 /nfs/dbraw/zinc/80/52/81/981805281.db2.gz UMYRMALVNNXQIA-OFNKIYASSA-N 2 0 400.611 3.790 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448468580 981806747 /nfs/dbraw/zinc/80/67/47/981806747.db2.gz VIJZZKXPQPGEFO-ISKFKSNPSA-N 2 0 410.606 3.831 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168610 981940531 /nfs/dbraw/zinc/94/05/31/981940531.db2.gz JFWARCDXLPDZBQ-YFNKSVMNSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)(C)C ZINC000460339343 982111098 /nfs/dbraw/zinc/11/10/98/982111098.db2.gz CFXNUNXEOUXDBC-FKBYEOEOSA-N 2 0 400.611 3.516 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000460379590 982157834 /nfs/dbraw/zinc/15/78/34/982157834.db2.gz ISPMPEIKBIUHQK-XMMPIXPASA-N 2 0 404.558 3.766 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000437651889 982270285 /nfs/dbraw/zinc/27/02/85/982270285.db2.gz FZTAPSCKXJSHGQ-DEOSSOPVSA-N 2 0 412.622 3.790 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000438088914 982581503 /nfs/dbraw/zinc/58/15/03/982581503.db2.gz MWZCYJNGGSKCHD-SFHVURJKSA-N 2 0 412.578 3.585 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000438101155 982588958 /nfs/dbraw/zinc/58/89/58/982588958.db2.gz SGPITYOTUDDPMR-UHFFFAOYSA-N 2 0 401.624 3.766 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461209934 982923499 /nfs/dbraw/zinc/92/34/99/982923499.db2.gz CKFKKXNVYFYDHO-VDVKDMFPSA-N 2 0 420.601 3.841 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260177 982965701 /nfs/dbraw/zinc/96/57/01/982965701.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 2 0 411.512 3.774 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438847397 983114329 /nfs/dbraw/zinc/11/43/29/983114329.db2.gz CTXRCEZWMTVIKL-RDPSFJRHSA-N 2 0 421.589 3.571 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000438871867 983134059 /nfs/dbraw/zinc/13/40/59/983134059.db2.gz ZSDOBTSXMOYUQO-HXUWFJFHSA-N 2 0 401.599 3.562 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000438974887 983189368 /nfs/dbraw/zinc/18/93/68/983189368.db2.gz PSNCSJNQBCPAND-FQEVSTJZSA-N 2 0 421.589 3.702 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439196525 983304644 /nfs/dbraw/zinc/30/46/44/983304644.db2.gz GOJHJWHXNQLCOQ-FQEVSTJZSA-N 2 0 423.605 3.900 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199478 983307252 /nfs/dbraw/zinc/30/72/52/983307252.db2.gz NYZIMYYBHYGESP-GOTSBHOMSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000439210235 983312347 /nfs/dbraw/zinc/31/23/47/983312347.db2.gz GAQZPTSDFAYNFE-UHFFFAOYSA-N 2 0 414.619 3.528 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000439213304 983313227 /nfs/dbraw/zinc/31/32/27/983313227.db2.gz QZTOPRYSXVTOJJ-UHFFFAOYSA-N 2 0 414.619 3.794 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1OC ZINC000439844536 983555788 /nfs/dbraw/zinc/55/57/88/983555788.db2.gz VMBOXMNVPSIVJV-HXUWFJFHSA-N 2 0 403.567 3.761 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000440185470 983674380 /nfs/dbraw/zinc/67/43/80/983674380.db2.gz JJDVVHYCUYFBDI-OFNKIYASSA-N 2 0 415.626 3.807 20 0 HHADRP C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440327500 983723158 /nfs/dbraw/zinc/72/31/58/983723158.db2.gz NFOHUFWCVUVKIE-INIZCTEOSA-N 2 0 411.550 3.947 20 0 HHADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000441046203 984041721 /nfs/dbraw/zinc/04/17/21/984041721.db2.gz AJHSUBJFUPVOSZ-UHFFFAOYSA-N 2 0 413.528 3.965 20 0 HHADRP C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072104 984056086 /nfs/dbraw/zinc/05/60/86/984056086.db2.gz SALUYFFGHPQJSN-CCLHPLFOSA-N 2 0 417.597 3.808 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000441366216 984210736 /nfs/dbraw/zinc/21/07/36/984210736.db2.gz MPWZDQZYJKCOHO-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612418 984355755 /nfs/dbraw/zinc/35/57/55/984355755.db2.gz PCPMGQAPLUOHON-IFMALSPDSA-N 2 0 402.966 3.671 20 0 HHADRP CC[C@@H](C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)[NH+](CC)CC ZINC000461680250 984698290 /nfs/dbraw/zinc/69/82/90/984698290.db2.gz FFCAOYXYFBCVRC-QHCPKHFHSA-N 2 0 423.605 3.505 20 0 HHADRP CC[NH+]1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000461794888 984783092 /nfs/dbraw/zinc/78/30/92/984783092.db2.gz BQPQKNWRZBEILY-UHFFFAOYSA-N 3 0 412.544 3.682 20 0 HHADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462011434 984990075 /nfs/dbraw/zinc/99/00/75/984990075.db2.gz QZWPVLHGDQENGW-INIZCTEOSA-N 2 0 402.505 3.507 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462115232 985084991 /nfs/dbraw/zinc/08/49/91/985084991.db2.gz DZKWTTWUXALRCU-UHFFFAOYSA-N 2 0 402.529 3.944 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874714 985254130 /nfs/dbraw/zinc/25/41/30/985254130.db2.gz NNUXQVOIJSBYLZ-RDTXWAMCSA-N 2 0 412.441 3.848 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876048 985255494 /nfs/dbraw/zinc/25/54/94/985255494.db2.gz PERVQOMDZKYNAH-QGZVFWFLSA-N 2 0 400.792 3.705 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876047 985256053 /nfs/dbraw/zinc/25/60/53/985256053.db2.gz PERVQOMDZKYNAH-KRWDZBQOSA-N 2 0 400.792 3.705 20 0 HHADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000462614354 985557779 /nfs/dbraw/zinc/55/77/79/985557779.db2.gz GNRJJLKBVCITHQ-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468016409 985668876 /nfs/dbraw/zinc/66/88/76/985668876.db2.gz IUZIMOBHRFUOPV-WMZHIEFXSA-N 2 0 400.611 3.926 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746904 985688038 /nfs/dbraw/zinc/68/80/38/985688038.db2.gz VJVKFEVWDKRXTF-PMVMPFDFSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748836 985689935 /nfs/dbraw/zinc/68/99/35/985689935.db2.gz FSVRESFFKVSXHG-UNMCSNQZSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462748609 985690056 /nfs/dbraw/zinc/69/00/56/985690056.db2.gz DQHHADQFIUWBCA-BJKOFHAPSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044542 985703299 /nfs/dbraw/zinc/70/32/99/985703299.db2.gz JHICHVRCRIEISF-OXJNMPFZSA-N 2 0 421.632 3.706 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800509 985732819 /nfs/dbraw/zinc/73/28/19/985732819.db2.gz FTZNBUFUXOGPKO-DNQXCXABSA-N 2 0 403.586 3.832 20 0 HHADRP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000443597130 985773424 /nfs/dbraw/zinc/77/34/24/985773424.db2.gz ABLRWSMJLGLQEI-UHFFFAOYSA-N 2 0 400.567 3.540 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443645995 985837629 /nfs/dbraw/zinc/83/76/29/985837629.db2.gz CLJXEMCHVPQDHU-CYFREDJKSA-N 2 0 408.590 3.897 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966285 985911753 /nfs/dbraw/zinc/91/17/53/985911753.db2.gz NIANAZASCHCMLM-PIKADFDJSA-N 2 0 411.384 3.734 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026710 985985876 /nfs/dbraw/zinc/98/58/76/985985876.db2.gz BSGPBBOPBDCGSG-AREMUKBSSA-N 2 0 407.602 3.646 20 0 HHADRP Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000443916221 986117852 /nfs/dbraw/zinc/11/78/52/986117852.db2.gz ABYVNIJRXLLWBA-UHFFFAOYSA-N 2 0 416.614 3.578 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468686008 986398032 /nfs/dbraw/zinc/39/80/32/986398032.db2.gz BSUFWDJCKXMOSD-PXNSSMCTSA-N 2 0 412.981 3.845 20 0 HHADRP COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC000444230283 986417920 /nfs/dbraw/zinc/41/79/20/986417920.db2.gz YXNXZHOVBJEDQQ-MRXNPFEDSA-N 2 0 409.958 3.636 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000468705950 986419568 /nfs/dbraw/zinc/41/95/68/986419568.db2.gz IKKIOOFOGBSVGB-UHFFFAOYSA-N 2 0 418.379 3.715 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463618813 986594876 /nfs/dbraw/zinc/59/48/76/986594876.db2.gz QAXJJNSGFYMQBW-IBGZPJMESA-N 2 0 412.553 3.739 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000444544800 986733919 /nfs/dbraw/zinc/73/39/19/986733919.db2.gz KITZNMHYPXHDCY-UHFFFAOYSA-N 2 0 421.541 3.951 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522180 987197799 /nfs/dbraw/zinc/19/77/99/987197799.db2.gz OSSKTXKJDNBDDQ-YADHBBJMSA-N 2 0 412.622 3.555 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1Br ZINC000469595255 987260454 /nfs/dbraw/zinc/26/04/54/987260454.db2.gz REULAPNIPJYHCK-INIZCTEOSA-N 2 0 411.388 3.637 20 0 HHADRP C[C@H](NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C(C)(C)C[NH+](C)C ZINC000469686645 987344064 /nfs/dbraw/zinc/34/40/64/987344064.db2.gz ACBJJTKRMAKAHP-SFHVURJKSA-N 2 0 417.598 3.599 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469776784 987426492 /nfs/dbraw/zinc/42/64/92/987426492.db2.gz SMDSYGRFOIENJT-PNLZDCPESA-N 2 0 405.533 3.698 20 0 HHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469797327 987440398 /nfs/dbraw/zinc/44/03/98/987440398.db2.gz PGSBIOFYKQIDCH-VQTJNVASSA-N 2 0 407.649 3.828 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000469985208 987601412 /nfs/dbraw/zinc/60/14/12/987601412.db2.gz MZPWMGNAHYUOID-UHFFFAOYSA-N 2 0 421.541 3.899 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463823334 987920741 /nfs/dbraw/zinc/92/07/41/987920741.db2.gz HHASGJKQMHNGCK-UHFFFAOYSA-N 2 0 400.542 3.597 20 0 HHADRP CCOC(=O)[C@@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000470137904 988043421 /nfs/dbraw/zinc/04/34/21/988043421.db2.gz MMVIFGIMNNYMOQ-SANMLTNESA-N 2 0 423.601 3.828 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463956191 988068206 /nfs/dbraw/zinc/06/82/06/988068206.db2.gz XQOXNINHYXFBQB-QUCCMNQESA-N 2 0 400.592 3.657 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000463965945 988078450 /nfs/dbraw/zinc/07/84/50/988078450.db2.gz GDDMLHPIZHQLKB-LVCYWYKZSA-N 2 0 416.591 3.860 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000463965853 988079067 /nfs/dbraw/zinc/07/90/67/988079067.db2.gz BFDHCIPLMXUFGQ-UXHICEINSA-N 2 0 400.592 3.514 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189803 988107611 /nfs/dbraw/zinc/10/76/11/988107611.db2.gz YYJRYHDKKDOQEV-HKUYNNGSSA-N 2 0 412.500 3.624 20 0 HHADRP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000464326971 988461219 /nfs/dbraw/zinc/46/12/19/988461219.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 2 0 423.523 3.822 20 0 HHADRP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000464326973 988461737 /nfs/dbraw/zinc/46/17/37/988461737.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 2 0 423.523 3.822 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470551100 988562704 /nfs/dbraw/zinc/56/27/04/988562704.db2.gz IEDSCRDBHJZPNM-OAQYLSRUSA-N 2 0 400.526 3.841 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548606 988726567 /nfs/dbraw/zinc/72/65/67/988726567.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 2 0 411.512 3.631 20 0 HHADRP CCC1(CC)C[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCS1 ZINC000464583953 988762269 /nfs/dbraw/zinc/76/22/69/988762269.db2.gz WFRYZDQKWCSWGP-UHFFFAOYSA-N 2 0 403.636 3.683 20 0 HHADRP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746102 988785787 /nfs/dbraw/zinc/78/57/87/988785787.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 2 0 406.574 3.567 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752810 988794937 /nfs/dbraw/zinc/79/49/37/988794937.db2.gz BOMRCQRQXCTCRW-RDPSFJRHSA-N 2 0 412.622 3.934 20 0 HHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000464770625 988993786 /nfs/dbraw/zinc/99/37/86/988993786.db2.gz CGJPLNKHVPRPNP-INIZCTEOSA-N 2 0 416.347 3.724 20 0 HHADRP C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845010 989094661 /nfs/dbraw/zinc/09/46/61/989094661.db2.gz CYGBOULSMOBEQE-PZJWPPBQSA-N 2 0 422.491 3.899 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000464945940 989238346 /nfs/dbraw/zinc/23/83/46/989238346.db2.gz VRFGXVWPYOPBAY-QHCPKHFHSA-N 2 0 400.611 3.840 20 0 HHADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000471373442 989549546 /nfs/dbraw/zinc/54/95/46/989549546.db2.gz NVUNCJZFXUWTSJ-QILAJZQNSA-N 2 0 403.570 3.747 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471527099 989727076 /nfs/dbraw/zinc/72/70/76/989727076.db2.gz HWKMIAXYRIPKTH-PLQXJYEYSA-N 2 0 420.601 3.802 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777848 /nfs/dbraw/zinc/77/78/48/989777848.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 2 0 412.603 3.705 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(F)c1 ZINC000465436234 989781320 /nfs/dbraw/zinc/78/13/20/989781320.db2.gz VDNNLCITTCDJBT-FBBABVLZSA-N 2 0 418.582 3.872 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437836 989783129 /nfs/dbraw/zinc/78/31/29/989783129.db2.gz HNAATCGNIXEMLS-ZCYQVOJMSA-N 2 0 420.601 3.987 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471616074 989821105 /nfs/dbraw/zinc/82/11/05/989821105.db2.gz BJEDAHHZPVXTNA-FUPPJEDESA-N 2 0 400.611 3.566 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661975 989866325 /nfs/dbraw/zinc/86/63/25/989866325.db2.gz IPSYLKFDIQQPAB-QFIPXVFZSA-N 2 0 406.574 3.679 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000465529128 989887543 /nfs/dbraw/zinc/88/75/43/989887543.db2.gz KTOBTHJRLLGQHC-YADHBBJMSA-N 2 0 416.610 3.564 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528961 989887808 /nfs/dbraw/zinc/88/78/08/989887808.db2.gz UXCWELJHVWUBGE-RTWAWAEBSA-N 2 0 407.002 3.993 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465542392 989905871 /nfs/dbraw/zinc/90/58/71/989905871.db2.gz KCZSRKAQMLNYOD-UNMCSNQZSA-N 2 0 414.619 3.904 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593569 989971749 /nfs/dbraw/zinc/97/17/49/989971749.db2.gz GKWUPKNBIUOTSI-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465593677 989972749 /nfs/dbraw/zinc/97/27/49/989972749.db2.gz GUHFJLLCPHGERW-SFHLNBCPSA-N 2 0 406.640 3.942 20 0 HHADRP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000465605476 989987889 /nfs/dbraw/zinc/98/78/89/989987889.db2.gz RBFMOCIBEPMOGD-UHFFFAOYSA-N 2 0 420.601 3.571 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611555 989996692 /nfs/dbraw/zinc/99/66/92/989996692.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 2 0 400.611 3.947 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465630640 990017132 /nfs/dbraw/zinc/01/71/32/990017132.db2.gz JFJRPYJJDOWKHY-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465634740 990020923 /nfs/dbraw/zinc/02/09/23/990020923.db2.gz PMMRJIJMJDBKRG-RUZDIDTESA-N 2 0 420.601 3.946 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916570 990083435 /nfs/dbraw/zinc/08/34/35/990083435.db2.gz WYQPDPQAZRTXAE-RBBKRZOGSA-N 2 0 408.590 3.937 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704312 990090945 /nfs/dbraw/zinc/09/09/45/990090945.db2.gz GZZPFHUWBNERPK-DBQGFPOUSA-N 2 0 406.640 3.941 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737789 990123329 /nfs/dbraw/zinc/12/33/29/990123329.db2.gz OIBZSXPSSFKXNJ-OQLXKQOESA-N 2 0 400.611 3.516 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465760139 990145601 /nfs/dbraw/zinc/14/56/01/990145601.db2.gz SNSSOKRQWYKMOF-QWFCFKBJSA-N 2 0 406.640 3.941 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000465784732 990166974 /nfs/dbraw/zinc/16/69/74/990166974.db2.gz JGQAFAVEFYFLHD-OAQYLSRUSA-N 2 0 413.610 3.651 20 0 HHADRP Cc1cccc([C@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000465815443 990198393 /nfs/dbraw/zinc/19/83/93/990198393.db2.gz QNGUCZXQMXAWAW-XMMPIXPASA-N 2 0 421.589 3.757 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824629 990208159 /nfs/dbraw/zinc/20/81/59/990208159.db2.gz ZXVRZLWRABWGIO-UPVQGACJSA-N 2 0 408.590 3.761 20 0 HHADRP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c1C ZINC000472046902 990214846 /nfs/dbraw/zinc/21/48/46/990214846.db2.gz HRDBHOKHDCWLKC-NRFANRHFSA-N 2 0 404.558 3.772 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472059328 990222885 /nfs/dbraw/zinc/22/28/85/990222885.db2.gz USQOKSWSUPOSQS-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858558 990969399 /nfs/dbraw/zinc/96/93/99/990969399.db2.gz AOPPIDGMEUOAQS-PKTZIBPZSA-N 2 0 400.611 3.805 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866418 990977893 /nfs/dbraw/zinc/97/78/93/990977893.db2.gz WDSMPGJGBJXBDI-SJORKVTESA-N 2 0 409.644 3.559 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000466078796 991253539 /nfs/dbraw/zinc/25/35/39/991253539.db2.gz OEQGDPXMERSYIM-GHTZIAJQSA-N 2 0 404.624 3.791 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466085935 991264441 /nfs/dbraw/zinc/26/44/41/991264441.db2.gz STOXPIUMCZQJLD-IFMALSPDSA-N 2 0 414.619 3.904 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000466092308 991271176 /nfs/dbraw/zinc/27/11/76/991271176.db2.gz LATYQVBTDLXZHY-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000466101850 991280719 /nfs/dbraw/zinc/28/07/19/991280719.db2.gz QTRFZFIFPGFYJY-UHFFFAOYSA-N 2 0 408.590 3.789 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000466162751 991351039 /nfs/dbraw/zinc/35/10/39/991351039.db2.gz HKONJCRAGXTYNX-YQQQUEKLSA-N 2 0 420.001 3.619 20 0 HHADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215525 991426802 /nfs/dbraw/zinc/42/68/02/991426802.db2.gz GJSHKGGAMBPOHR-KOSHJBKYSA-N 2 0 406.574 3.697 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466530740 991829073 /nfs/dbraw/zinc/82/90/73/991829073.db2.gz RRIJTJXXWDPZBD-URXFXBBRSA-N 2 0 420.601 3.955 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466535602 991837258 /nfs/dbraw/zinc/83/72/58/991837258.db2.gz GSIPPHHJZFMKKV-GBXCKJPGSA-N 2 0 408.590 3.943 20 0 HHADRP O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466931351 992243490 /nfs/dbraw/zinc/24/34/90/992243490.db2.gz UFNWIXGKDWSGLM-OAQYLSRUSA-N 2 0 421.585 3.732 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468094 992760614 /nfs/dbraw/zinc/76/06/14/992760614.db2.gz QLLLDIWHNRNYLF-FPOVZHCZSA-N 2 0 410.562 3.720 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2)CC1 ZINC000467543727 992823356 /nfs/dbraw/zinc/82/33/56/992823356.db2.gz QTOBBLATMHRLDW-NRFANRHFSA-N 2 0 420.601 3.784 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cnn1-c1cc(C)ccc1C ZINC000480714527 993583801 /nfs/dbraw/zinc/58/38/01/993583801.db2.gz ZHSPBHYTIVQQPX-FQEVSTJZSA-N 2 0 418.589 3.795 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Br)s3)cn2)CC1 ZINC000480723080 993590462 /nfs/dbraw/zinc/59/04/62/993590462.db2.gz YIXSHTRJRMJNFK-AWEZNQCLSA-N 2 0 409.397 3.898 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)cn2)CC1 ZINC000480738066 993604543 /nfs/dbraw/zinc/60/45/43/993604543.db2.gz JJIYAYJAVPCWRR-SFHVURJKSA-N 2 0 422.552 3.708 20 0 HHADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cc1OCC ZINC000480740454 993607855 /nfs/dbraw/zinc/60/78/55/993607855.db2.gz WAZHYEFBRIOSHN-IBGZPJMESA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480775681 993640632 /nfs/dbraw/zinc/64/06/32/993640632.db2.gz PSWKYLJPPBTCAQ-NRFANRHFSA-N 2 0 421.589 3.592 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777331 993642998 /nfs/dbraw/zinc/64/29/98/993642998.db2.gz HSDHJDYPOSEAES-GHTZIAJQSA-N 3 0 412.544 3.537 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnccn1 ZINC000480783311 993650512 /nfs/dbraw/zinc/65/05/12/993650512.db2.gz ZNLOZNGYPOJLPB-QGZVFWFLSA-N 2 0 407.484 3.748 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783053 993650713 /nfs/dbraw/zinc/65/07/13/993650713.db2.gz YJEOKFGLVDHRAB-ATIYNZHBSA-N 2 0 417.601 3.961 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480791926 993661142 /nfs/dbraw/zinc/66/11/42/993661142.db2.gz ANLPRIKLLGAOCD-HXUWFJFHSA-N 2 0 420.601 3.775 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792401 993661172 /nfs/dbraw/zinc/66/11/72/993661172.db2.gz BHRQBDPJGLQTOX-HYBUGGRVSA-N 2 0 418.589 3.605 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906483 993762770 /nfs/dbraw/zinc/76/27/70/993762770.db2.gz BMDVODFWANFAOQ-RZFJZAQRSA-N 2 0 407.602 3.869 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000480970943 993811795 /nfs/dbraw/zinc/81/17/95/993811795.db2.gz MBLSRBBMHNAQKR-DYESRHJHSA-N 2 0 416.541 3.812 20 0 HHADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000481250678 994076845 /nfs/dbraw/zinc/07/68/45/994076845.db2.gz KUUYUIZQEUEYAY-IBGZPJMESA-N 2 0 403.368 3.837 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000481295223 994110698 /nfs/dbraw/zinc/11/06/98/994110698.db2.gz NYJBXZWCQBSVRX-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535556 994365880 /nfs/dbraw/zinc/36/58/80/994365880.db2.gz QGIYVQBRNGCEGK-RTWAWAEBSA-N 2 0 411.590 3.699 20 0 HHADRP CC1(C)CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2ccccc21 ZINC000481677675 994537509 /nfs/dbraw/zinc/53/75/09/994537509.db2.gz LLMYZXGPTPURCP-SIKLNZKXSA-N 2 0 421.589 3.684 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000481686194 994546853 /nfs/dbraw/zinc/54/68/53/994546853.db2.gz OGUFEHRCIIDBQI-QPPBQGQZSA-N 2 0 408.590 3.861 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000481718813 994580410 /nfs/dbraw/zinc/58/04/10/994580410.db2.gz BPNXNQYBKGTIPG-HNNXBMFYSA-N 2 0 410.580 3.854 20 0 HHADRP Cc1cc(Br)cc2c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)coc21 ZINC000473712575 994604203 /nfs/dbraw/zinc/60/42/03/994604203.db2.gz DJACRMJFMVHSLD-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000473805163 994731380 /nfs/dbraw/zinc/73/13/80/994731380.db2.gz HXXCCQIZYNDSCF-UHFFFAOYSA-N 2 0 415.626 3.804 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCCC[NH+]3CCCCC3)c2)CC1 ZINC000473827634 994757945 /nfs/dbraw/zinc/75/79/45/994757945.db2.gz HNAAYXGWPJKSKQ-UHFFFAOYSA-N 2 0 401.599 3.606 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000473835301 994769089 /nfs/dbraw/zinc/76/90/89/994769089.db2.gz JZEOZHJNRCTYRM-DEOSSOPVSA-N 2 0 421.589 3.615 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920950 994792966 /nfs/dbraw/zinc/79/29/66/994792966.db2.gz KMTAZIBDTPSPHV-FQEVSTJZSA-N 2 0 424.010 3.941 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000473870860 994811425 /nfs/dbraw/zinc/81/14/25/994811425.db2.gz FIKXQVCUDQAOTP-AEFFLSMTSA-N 2 0 404.530 3.690 20 0 HHADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473875472 994819584 /nfs/dbraw/zinc/81/95/84/994819584.db2.gz NQMMYUMBTFMZGI-OFNKIYASSA-N 2 0 400.611 3.974 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474004302 994994055 /nfs/dbraw/zinc/99/40/55/994994055.db2.gz DWQSMMCUOXEMAB-OFNKIYASSA-N 2 0 400.611 3.975 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474027685 995019322 /nfs/dbraw/zinc/01/93/22/995019322.db2.gz BUZZEURXYTXNMW-PMACEKPBSA-N 2 0 400.611 3.564 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474044515 995035326 /nfs/dbraw/zinc/03/53/26/995035326.db2.gz NCXVPBPNSYPZAZ-LMHXZZLNSA-N 2 0 412.622 3.981 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000482108753 995055586 /nfs/dbraw/zinc/05/55/86/995055586.db2.gz ISMXTWZTCFRHAB-MRXNPFEDSA-N 2 0 421.358 3.846 20 0 HHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCCO2 ZINC000482109084 995056759 /nfs/dbraw/zinc/05/67/59/995056759.db2.gz JDJODKCAWXNORH-NRFANRHFSA-N 2 0 400.954 3.751 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000482113776 995061003 /nfs/dbraw/zinc/06/10/03/995061003.db2.gz ZDPWPNAUSQCHQU-WMZHIEFXSA-N 2 0 410.562 3.561 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121226 995069455 /nfs/dbraw/zinc/06/94/55/995069455.db2.gz QOUXTZURKLHICX-YKSBVNFPSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482157101 995111543 /nfs/dbraw/zinc/11/15/43/995111543.db2.gz ZVTKYRGEHAJCBG-UHFFFAOYSA-N 2 0 415.965 3.554 20 0 HHADRP CC(C)[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000482213173 995197445 /nfs/dbraw/zinc/19/74/45/995197445.db2.gz OJHKSNZKHNTMAY-XMMPIXPASA-N 2 0 415.622 3.684 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1OC(F)(F)F ZINC000482235394 995218973 /nfs/dbraw/zinc/21/89/73/995218973.db2.gz DEOBDLZJJSCHHT-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482293375 995272464 /nfs/dbraw/zinc/27/24/64/995272464.db2.gz RYMRGKNNCWDGQS-RPBOFIJWSA-N 2 0 420.601 3.944 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)C[C@@H](C)O1 ZINC000474276517 995272636 /nfs/dbraw/zinc/27/26/36/995272636.db2.gz JYPQXFBBPKMZCY-QZTJIDSGSA-N 2 0 417.985 3.632 20 0 HHADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000482368922 995351162 /nfs/dbraw/zinc/35/11/62/995351162.db2.gz UPHIMXPTMNXNGC-RUZDIDTESA-N 2 0 406.574 3.921 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H](C)c3ccc(OC)c(OC)c3)cn2)CC1 ZINC000474478732 995438011 /nfs/dbraw/zinc/43/80/11/995438011.db2.gz BCOHDDOHUGIPIZ-RBUKOAKNSA-N 2 0 412.578 3.523 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)o1 ZINC000482444683 995441081 /nfs/dbraw/zinc/44/10/81/995441081.db2.gz ILCQUQOFPVJZNC-FQEVSTJZSA-N 2 0 405.546 3.990 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482453686 995453666 /nfs/dbraw/zinc/45/36/66/995453666.db2.gz CTQIVVZNCMTMGV-KRWDZBQOSA-N 2 0 416.639 3.792 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000474516644 995480104 /nfs/dbraw/zinc/48/01/04/995480104.db2.gz SYIODYDYZFBMTG-PMACEKPBSA-N 2 0 400.611 3.516 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482516813 995526956 /nfs/dbraw/zinc/52/69/56/995526956.db2.gz YYLZKEURTGIQND-QFBILLFUSA-N 2 0 410.400 3.526 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000482528844 995537512 /nfs/dbraw/zinc/53/75/12/995537512.db2.gz AGTVPTJRBUHKHQ-AVRDEDQJSA-N 2 0 417.956 3.940 20 0 HHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482541380 995549470 /nfs/dbraw/zinc/54/94/70/995549470.db2.gz FYZATXIQIJYVHA-AWEZNQCLSA-N 2 0 411.377 3.842 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1Br ZINC000482555816 995563374 /nfs/dbraw/zinc/56/33/74/995563374.db2.gz OCKHCSNKPMAYCE-LBPRGKRZSA-N 2 0 420.189 3.567 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474617507 995568581 /nfs/dbraw/zinc/56/85/81/995568581.db2.gz GJJKETAHJUGNQM-RBUKOAKNSA-N 2 0 409.603 3.985 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000482563669 995570291 /nfs/dbraw/zinc/57/02/91/995570291.db2.gz SSMCWYRRTTUIOS-UHFFFAOYSA-N 2 0 407.558 3.592 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482584432 995586653 /nfs/dbraw/zinc/58/66/53/995586653.db2.gz WGDFLWAVUZXJIK-DNQXCXABSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000474661376 995607823 /nfs/dbraw/zinc/60/78/23/995607823.db2.gz NAPDEQWJOQXAAH-CTWPCTMYSA-N 2 0 412.500 3.624 20 0 HHADRP COC1CCN(C2(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CCCC2)CC1 ZINC000482628431 995622875 /nfs/dbraw/zinc/62/28/75/995622875.db2.gz IMYMXBIJIFFNAU-HXUWFJFHSA-N 2 0 403.611 3.701 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647412 995642290 /nfs/dbraw/zinc/64/22/90/995642290.db2.gz AYUHKLAAYFGZAI-JXFKEZNVSA-N 2 0 417.500 3.836 20 0 HHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000482871113 995806138 /nfs/dbraw/zinc/80/61/38/995806138.db2.gz HKRMRJKBVYCIIO-INIZCTEOSA-N 2 0 400.592 3.712 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878564 995812091 /nfs/dbraw/zinc/81/20/91/995812091.db2.gz UZQAYKPECRAALW-GGPKGHCWSA-N 2 0 424.427 3.754 20 0 HHADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050301 995891662 /nfs/dbraw/zinc/89/16/62/995891662.db2.gz VARZNOKRQIAYDB-NQIIRXRSSA-N 2 0 411.512 3.936 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117554 995933238 /nfs/dbraw/zinc/93/32/38/995933238.db2.gz HJUIGOCAJLCWDK-DHLKQENFSA-N 2 0 410.606 3.701 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC3CC[NH+](C4CCCCC4)CC3)CCCC2)CC1 ZINC000475131954 995943499 /nfs/dbraw/zinc/94/34/99/995943499.db2.gz WDANKIJGOZGSSM-UHFFFAOYSA-N 2 0 420.642 3.506 20 0 HHADRP CC[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000475138408 995947538 /nfs/dbraw/zinc/94/75/38/995947538.db2.gz KQSNZQKETFPKCI-QHCPKHFHSA-N 2 0 412.622 3.920 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475145258 995952576 /nfs/dbraw/zinc/95/25/76/995952576.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475165244 995964915 /nfs/dbraw/zinc/96/49/15/995964915.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175424 995972381 /nfs/dbraw/zinc/97/23/81/995972381.db2.gz XYBBPTXNTBINFA-RTWAWAEBSA-N 2 0 400.592 3.657 20 0 HHADRP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175421 995972540 /nfs/dbraw/zinc/97/25/40/995972540.db2.gz XYBBPTXNTBINFA-LEWJYISDSA-N 2 0 400.592 3.657 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177584 995974429 /nfs/dbraw/zinc/97/44/29/995974429.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475278686 996041406 /nfs/dbraw/zinc/04/14/06/996041406.db2.gz JJJPVMNBOFWTDD-IFMALSPDSA-N 2 0 419.569 3.953 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)cc1 ZINC000483517206 996228227 /nfs/dbraw/zinc/22/82/27/996228227.db2.gz DRTYDHHXNRMKCN-HSZRJFAPSA-N 2 0 414.594 3.538 20 0 HHADRP COC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000483520606 996230314 /nfs/dbraw/zinc/23/03/14/996230314.db2.gz VRNAXXHKHGYJHJ-FQEVSTJZSA-N 2 0 413.528 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@@H]1C ZINC000483526932 996233653 /nfs/dbraw/zinc/23/36/53/996233653.db2.gz BGVGGBODMNSYOA-RRPUWOKSSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483620964 996290782 /nfs/dbraw/zinc/29/07/82/996290782.db2.gz HCHGOGVVLCKXGW-FUPPJEDESA-N 2 0 400.611 3.945 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475965247 996503550 /nfs/dbraw/zinc/50/35/50/996503550.db2.gz MASJQIIBFXLHJE-OAQYLSRUSA-N 2 0 402.583 3.903 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475965243 996503588 /nfs/dbraw/zinc/50/35/88/996503588.db2.gz MASJQIIBFXLHJE-NRFANRHFSA-N 2 0 402.583 3.903 20 0 HHADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483982760 996505017 /nfs/dbraw/zinc/50/50/17/996505017.db2.gz VQUPAVWYHORLGT-QPPBQGQZSA-N 2 0 420.601 3.992 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000484292447 996683258 /nfs/dbraw/zinc/68/32/58/996683258.db2.gz OUSAKFDKOWXDKH-IBGZPJMESA-N 2 0 422.411 3.653 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000484295241 996685014 /nfs/dbraw/zinc/68/50/14/996685014.db2.gz VEMIHNNTYPKLDE-VCOUNFBDSA-N 2 0 407.624 3.778 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000484470632 996790702 /nfs/dbraw/zinc/79/07/02/996790702.db2.gz GISUQEYBQUAUEF-UHFFFAOYSA-N 2 0 419.569 3.566 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488271 996809998 /nfs/dbraw/zinc/80/99/98/996809998.db2.gz UVZDEAJGKWNMBO-LMMKCTJWSA-N 2 0 413.400 3.943 20 0 HHADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000484501665 996827775 /nfs/dbraw/zinc/82/77/75/996827775.db2.gz ZHNIJPQGTWYKLE-HXUWFJFHSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000484508426 996838042 /nfs/dbraw/zinc/83/80/42/996838042.db2.gz PGPWYURIERXDCZ-NZQKXSOJSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000476807825 997360814 /nfs/dbraw/zinc/36/08/14/997360814.db2.gz NZFIPLAVUXPTBJ-ICSRJNTNSA-N 2 0 420.598 3.610 20 0 HHADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476970549 997588891 /nfs/dbraw/zinc/58/88/91/997588891.db2.gz IDMWKYCPJJDQQX-HXUWFJFHSA-N 2 0 401.595 3.630 20 0 HHADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476989483 997615722 /nfs/dbraw/zinc/61/57/22/997615722.db2.gz YIKLUZJYIPJNAM-HXUWFJFHSA-N 2 0 401.595 3.630 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477029984 997661919 /nfs/dbraw/zinc/66/19/19/997661919.db2.gz UVCJNNBNFQYANB-TYCQWZJGSA-N 2 0 407.961 3.995 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1F ZINC000477065579 997711311 /nfs/dbraw/zinc/71/13/11/997711311.db2.gz XNVVWCCKRHTCDB-HSZRJFAPSA-N 2 0 412.553 3.597 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000485391692 997819939 /nfs/dbraw/zinc/81/99/39/997819939.db2.gz CTGQYPQIGBEQBL-DEOSSOPVSA-N 2 0 414.638 3.705 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000477313501 998001494 /nfs/dbraw/zinc/00/14/94/998001494.db2.gz GEFBDCHXRZHJSQ-NOTZXAQLSA-N 2 0 424.589 3.857 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000477523263 998243279 /nfs/dbraw/zinc/24/32/79/998243279.db2.gz JUYOEAPSNFLXSL-IBGZPJMESA-N 2 0 415.603 3.601 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111582 998558733 /nfs/dbraw/zinc/55/87/33/998558733.db2.gz RSJFWCVVKHAISS-WIYYLYMNSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255348 998678548 /nfs/dbraw/zinc/67/85/48/998678548.db2.gz VDROZJUWGZTSDG-FUPPJEDESA-N 2 0 400.611 3.851 20 0 HHADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400022 998748592 /nfs/dbraw/zinc/74/85/92/998748592.db2.gz CYYNJHYJDGFUSF-NQIIRXRSSA-N 2 0 411.512 3.936 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477929 998787481 /nfs/dbraw/zinc/78/74/81/998787481.db2.gz PQVXDSTYBYZFBV-PUHATCMVSA-N 2 0 424.589 3.935 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000478185955 998810396 /nfs/dbraw/zinc/81/03/96/998810396.db2.gz XGOHUGWTABUJGR-HOTGVXAUSA-N 2 0 406.368 3.976 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000486663995 998883314 /nfs/dbraw/zinc/88/33/14/998883314.db2.gz KTMPNEAGPNBUTE-UHFFFAOYSA-N 2 0 414.554 3.514 20 0 HHADRP c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000487060495 999051055 /nfs/dbraw/zinc/05/10/55/999051055.db2.gz KQLKFDXNNJBWDQ-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000478791384 999142653 /nfs/dbraw/zinc/14/26/53/999142653.db2.gz DJGSAJDEQWJWAT-NZQKXSOJSA-N 2 0 424.589 3.604 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830375 999164303 /nfs/dbraw/zinc/16/43/03/999164303.db2.gz KHKKYOGSWAONNX-SIKLNZKXSA-N 2 0 412.578 3.715 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000479053846 999269981 /nfs/dbraw/zinc/26/99/81/999269981.db2.gz COTLVHHXYRHBLW-GOSISDBHSA-N 2 0 403.592 3.642 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073367 999280774 /nfs/dbraw/zinc/28/07/74/999280774.db2.gz XUFUTZMPOHJVQL-PKTZIBPZSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000479307544 999376637 /nfs/dbraw/zinc/37/66/37/999376637.db2.gz NNSJBHKHSIGTPJ-JSFDBMSQSA-N 2 0 412.622 3.931 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000479325615 999385875 /nfs/dbraw/zinc/38/58/75/999385875.db2.gz WEPWOQCNOPETOU-FQEVSTJZSA-N 2 0 413.566 3.838 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c1 ZINC000479330620 999388807 /nfs/dbraw/zinc/38/88/07/999388807.db2.gz LNNYODFNZMIXBG-SFHVURJKSA-N 2 0 403.592 3.643 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479365319 999405860 /nfs/dbraw/zinc/40/58/60/999405860.db2.gz VPHODMQVHJCCEB-PMACEKPBSA-N 2 0 412.391 3.901 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438984 999417612 /nfs/dbraw/zinc/41/76/12/999417612.db2.gz PIHZHTWHBWSRBI-NOZRDPDXSA-N 2 0 416.569 3.996 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461066 999427508 /nfs/dbraw/zinc/42/75/08/999427508.db2.gz BESVVLJZTVNNRF-UYAOXDASSA-N 2 0 401.576 3.621 20 0 HHADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000488298863 999428832 /nfs/dbraw/zinc/42/88/32/999428832.db2.gz XFAVNINZGYCZLI-QHCPKHFHSA-N 2 0 401.595 3.803 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000488334724 999445553 /nfs/dbraw/zinc/44/55/53/999445553.db2.gz XDAMRRVXXOAWBD-RBZQAINGSA-N 2 0 422.573 3.575 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488429163 999484867 /nfs/dbraw/zinc/48/48/67/999484867.db2.gz BTUOPGRRDDAEEZ-UHFFFAOYSA-N 2 0 414.421 3.952 20 0 HHADRP c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000488585678 999536324 /nfs/dbraw/zinc/53/63/24/999536324.db2.gz JKNOMQTUVPFIJW-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479875532 999632816 /nfs/dbraw/zinc/63/28/16/999632816.db2.gz QZQDJTLDSAEBLE-IAGOWNOFSA-N 2 0 424.010 3.982 20 0 HHADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480050522 999701613 /nfs/dbraw/zinc/70/16/13/999701613.db2.gz WBXQFAJUXWSFDV-KRWDZBQOSA-N 2 0 407.624 3.821 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000489140513 999710430 /nfs/dbraw/zinc/71/04/30/999710430.db2.gz PODMZCDOARQAQW-PMOQBDJRSA-N 2 0 424.589 3.935 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229495 999726790 /nfs/dbraw/zinc/72/67/90/999726790.db2.gz YFGKMIRTNGDBOP-CMKODMSKSA-N 2 0 418.607 3.982 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000489247953 999729763 /nfs/dbraw/zinc/72/97/63/999729763.db2.gz KWKZPVMAZQJZJX-XMSQKQJNSA-N 2 0 414.619 3.951 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480147512 999730642 /nfs/dbraw/zinc/73/06/42/999730642.db2.gz YNFZQRBGGOBBEE-LJQANCHMSA-N 2 0 415.603 3.774 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000489293361 999738938 /nfs/dbraw/zinc/73/89/38/999738938.db2.gz FZIFZVGYADWJPI-YKSBVNFPSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-n2cncn2)cc1 ZINC000480244047 999754903 /nfs/dbraw/zinc/75/49/03/999754903.db2.gz UMVGYELZCYGFHA-VAMGGRTRSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480256636 999757539 /nfs/dbraw/zinc/75/75/39/999757539.db2.gz LJWBKWRTNAZCCL-LJQANCHMSA-N 2 0 413.587 3.673 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410740 999761110 /nfs/dbraw/zinc/76/11/10/999761110.db2.gz ZPKLXPWMCWEFKY-XQPJFTJZSA-N 2 0 404.624 3.503 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000489433180 999766417 /nfs/dbraw/zinc/76/64/17/999766417.db2.gz UYUZVCZLBIOIJN-BAGYTPMASA-N 2 0 412.578 3.872 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000489520253 999783019 /nfs/dbraw/zinc/78/30/19/999783019.db2.gz CLPPYHMNTAKVCU-YGOYIFOWSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000489536385 999786849 /nfs/dbraw/zinc/78/68/49/999786849.db2.gz XPPBMFFKPWIVSM-FCEUIQTBSA-N 2 0 410.562 3.626 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1F ZINC000489581688 999796794 /nfs/dbraw/zinc/79/67/94/999796794.db2.gz KMMGZMTXDZLALA-UHFFFAOYSA-N 2 0 412.553 3.693 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCCO2 ZINC000489587502 999797926 /nfs/dbraw/zinc/79/79/26/999797926.db2.gz PSVRXGUFRBTLHU-HXUWFJFHSA-N 2 0 400.954 3.799 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480450401 999802012 /nfs/dbraw/zinc/80/20/12/999802012.db2.gz UDHCIIUVDAUCBD-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000489635713 999807135 /nfs/dbraw/zinc/80/71/35/999807135.db2.gz ROUDZEWEVKAJTD-JOCHJYFZSA-N 2 0 402.966 3.924 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)c2cc1C ZINC000489661036 999812304 /nfs/dbraw/zinc/81/23/04/999812304.db2.gz VLPIEDLOEXIQFJ-DEOSSOPVSA-N 2 0 420.601 3.858 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)c2cc1C ZINC000489661037 999812350 /nfs/dbraw/zinc/81/23/50/999812350.db2.gz VLPIEDLOEXIQFJ-XMMPIXPASA-N 2 0 420.601 3.858 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000489836423 999846695 /nfs/dbraw/zinc/84/66/95/999846695.db2.gz QLBGXLQZIRUHFP-GIWBLDEGSA-N 2 0 400.611 3.851 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000489869843 999851890 /nfs/dbraw/zinc/85/18/90/999851890.db2.gz AVVAQORHDJQMIB-XMMPIXPASA-N 2 0 424.589 3.604 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695396 999861393 /nfs/dbraw/zinc/86/13/93/999861393.db2.gz JOSDBVHEBRKZET-AQNXPRMDSA-N 2 0 404.562 3.991 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173576 999904925 /nfs/dbraw/zinc/90/49/25/999904925.db2.gz WMTFQICKPOGSDZ-GCJKJVERSA-N 2 0 403.517 3.993 20 0 HHADRP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825906 1000012558 /nfs/dbraw/zinc/01/25/58/1000012558.db2.gz LKVWKXYOPCFHSA-BWKNWUBXSA-N 2 0 405.586 3.925 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000490981521 1000030348 /nfs/dbraw/zinc/03/03/48/1000030348.db2.gz YPGVIQXESNYQMG-UHFFFAOYSA-N 2 0 418.651 3.864 20 0 HHADRP Cc1ccc([C@@H]([NH2+]CCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002910 1000032733 /nfs/dbraw/zinc/03/27/33/1000032733.db2.gz DJLDJJBTRMMZGV-HSZRJFAPSA-N 2 0 400.588 3.809 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000491029318 1000036323 /nfs/dbraw/zinc/03/63/23/1000036323.db2.gz HXWZJDBXYQDPJC-HRAATJIYSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000491034691 1000037297 /nfs/dbraw/zinc/03/72/97/1000037297.db2.gz SXPVZSPNRQALMU-HRAATJIYSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCC1)c1ccccc1 ZINC000491322004 1000064990 /nfs/dbraw/zinc/06/49/90/1000064990.db2.gz KCLTXHMOPYCPFM-LJQANCHMSA-N 2 0 424.593 3.935 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491342308 1000066693 /nfs/dbraw/zinc/06/66/93/1000066693.db2.gz IPJLIPXRBHJALJ-NRFANRHFSA-N 2 0 420.370 3.905 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c2ccccc2)CC1 ZINC000491446100 1000075633 /nfs/dbraw/zinc/07/56/33/1000075633.db2.gz KWQVGOCDUWAABM-QFIPXVFZSA-N 2 0 424.593 3.745 20 0 HHADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000491893783 1000099623 /nfs/dbraw/zinc/09/96/23/1000099623.db2.gz WCFDADQBULMSAZ-UHFFFAOYSA-N 2 0 401.382 3.551 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000493227568 1000163899 /nfs/dbraw/zinc/16/38/99/1000163899.db2.gz KJSQNVGHBJXIRO-LJQANCHMSA-N 2 0 407.327 3.724 20 0 HHADRP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978615 1000249901 /nfs/dbraw/zinc/24/99/01/1000249901.db2.gz TWMVMCWPDYSDSQ-UNMCSNQZSA-N 2 0 415.965 3.515 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070210 1000294368 /nfs/dbraw/zinc/29/43/68/1000294368.db2.gz VTXLFIJNODTNLD-XXBNENTESA-N 2 0 409.599 3.628 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494191345 1000353152 /nfs/dbraw/zinc/35/31/52/1000353152.db2.gz INCWXHPECYAKEO-KRWDZBQOSA-N 2 0 409.755 3.959 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504935348 1000457326 /nfs/dbraw/zinc/45/73/26/1000457326.db2.gz DULVKRARIFYMOU-DEOSSOPVSA-N 2 0 406.574 3.615 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566972 1000557381 /nfs/dbraw/zinc/55/73/81/1000557381.db2.gz XMKASADKIOLLDZ-XMMPIXPASA-N 2 0 409.549 3.773 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158812 1000585195 /nfs/dbraw/zinc/58/51/95/1000585195.db2.gz ATLLBDSOVLGHPN-ROUUACIJSA-N 2 0 407.530 3.624 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923574 1000732058 /nfs/dbraw/zinc/73/20/58/1000732058.db2.gz LYFZBCVZEVVLJW-WIOPSUGQSA-N 2 0 411.565 3.831 20 0 HHADRP Cc1noc(C2CCC([NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2)n1 ZINC000494926695 1000733561 /nfs/dbraw/zinc/73/35/61/1000733561.db2.gz YSDUAPIUSDJVCT-UHFFFAOYSA-N 2 0 411.594 3.592 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000495088284 1000827966 /nfs/dbraw/zinc/82/79/66/1000827966.db2.gz UUZUMLIRBOGSIL-NFBKMPQASA-N 2 0 403.586 3.833 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604623 1000930093 /nfs/dbraw/zinc/93/00/93/1000930093.db2.gz SPAYDBHRJVLIDW-OALUTQOASA-N 2 0 407.530 3.624 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccsc1 ZINC000505604622 1000930434 /nfs/dbraw/zinc/93/04/34/1000930434.db2.gz SPAYDBHRJVLIDW-MOPGFXCFSA-N 2 0 407.530 3.624 20 0 HHADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691512 1000977839 /nfs/dbraw/zinc/97/78/39/1000977839.db2.gz HGKVPWXWQMWBFN-WOJBJXKFSA-N 2 0 424.511 3.550 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750771 1001005843 /nfs/dbraw/zinc/00/58/43/1001005843.db2.gz VFVJJMWWQSIOFV-FQEVSTJZSA-N 2 0 414.619 3.530 20 0 HHADRP FC(F)(F)COc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506007601 1001158226 /nfs/dbraw/zinc/15/82/26/1001158226.db2.gz NDMDEVNJBGSIJP-UHFFFAOYSA-N 2 0 400.485 3.952 20 0 HHADRP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017349 1001165272 /nfs/dbraw/zinc/16/52/72/1001165272.db2.gz KTIZSMUEZVOUBQ-GOSISDBHSA-N 2 0 407.986 3.800 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C[C@@H]1C ZINC000497345624 1001301782 /nfs/dbraw/zinc/30/17/82/1001301782.db2.gz FEFNLMJAGBEEBP-WPFOTENUSA-N 2 0 415.622 3.855 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000497433903 1001362372 /nfs/dbraw/zinc/36/23/72/1001362372.db2.gz DUYUTTOBSRNAEO-GCJKJVERSA-N 2 0 412.578 3.727 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476454 /nfs/dbraw/zinc/47/64/54/1001476454.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 2 0 412.622 3.585 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506630541 1001476771 /nfs/dbraw/zinc/47/67/71/1001476771.db2.gz CCSFJHSHLVXKIP-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506630539 1001476823 /nfs/dbraw/zinc/47/68/23/1001476823.db2.gz CCSFJHSHLVXKIP-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690676 1001486505 /nfs/dbraw/zinc/48/65/05/1001486505.db2.gz JZONRNXROZXOCR-KSEOMHKRSA-N 2 0 412.578 3.872 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793697 1001533447 /nfs/dbraw/zinc/53/34/47/1001533447.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497866568 1001542152 /nfs/dbraw/zinc/54/21/52/1001542152.db2.gz FLKFDPOOYXNLKV-UZLBHIALSA-N 2 0 406.368 3.747 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)cc2ccccc21 ZINC000498343503 1001785977 /nfs/dbraw/zinc/78/59/77/1001785977.db2.gz XKRLMZSDYNGCNV-UHFFFAOYSA-N 2 0 420.395 3.948 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000507379694 1002035950 /nfs/dbraw/zinc/03/59/50/1002035950.db2.gz JSBQPGDRVYIDPJ-LJQANCHMSA-N 2 0 407.002 3.583 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000507443267 1002073294 /nfs/dbraw/zinc/07/32/94/1002073294.db2.gz MCJZSXOYVJXSAU-INIZCTEOSA-N 2 0 414.331 3.826 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694775 1002081562 /nfs/dbraw/zinc/08/15/62/1002081562.db2.gz MUJJAMOIVZRVSW-RDGATRHJSA-N 2 0 422.617 3.979 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707381 1002091226 /nfs/dbraw/zinc/09/12/26/1002091226.db2.gz SXPBGXJDCSFFKA-URXFXBBRSA-N 2 0 408.590 3.670 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1Cc2ccccc2C1 ZINC000507522681 1002131414 /nfs/dbraw/zinc/13/14/14/1002131414.db2.gz BNCIZNLPVSJOMA-ISJGIBHGSA-N 2 0 403.570 3.809 20 0 HHADRP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000507533032 1002141694 /nfs/dbraw/zinc/14/16/94/1002141694.db2.gz SSZGWOJWGVLPQG-ICDZXHCJSA-N 2 0 403.570 3.791 20 0 HHADRP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000498798962 1002184337 /nfs/dbraw/zinc/18/43/37/1002184337.db2.gz MHUAVBQMFLFMIV-CYGHRXIMSA-N 2 0 403.533 3.664 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000507827999 1002371503 /nfs/dbraw/zinc/37/15/03/1002371503.db2.gz HPWKSEVSASSZML-UHFFFAOYSA-N 2 0 415.622 3.883 20 0 HHADRP COc1ccc(Cl)cc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507932145 1002466073 /nfs/dbraw/zinc/46/60/73/1002466073.db2.gz OEUNXGHPFSYHIP-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2)C1 ZINC000499188876 1002578806 /nfs/dbraw/zinc/57/88/06/1002578806.db2.gz IXBGGYMSCGMVAN-KHUIQGCPSA-N 2 0 405.590 3.829 20 0 HHADRP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221123 1002607110 /nfs/dbraw/zinc/60/71/10/1002607110.db2.gz CYASOIIQNAEJGW-IGSOQLKZSA-N 2 0 418.629 3.982 20 0 HHADRP CCc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)ncn1 ZINC000499239812 1002630825 /nfs/dbraw/zinc/63/08/25/1002630825.db2.gz QANQVOXNANQXGT-JOZNFPNDSA-N 2 0 405.590 3.793 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249161 1002646583 /nfs/dbraw/zinc/64/65/83/1002646583.db2.gz JXUCHWGCWYWCJH-KOUNCHBCSA-N 2 0 405.542 3.587 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722662 1003163955 /nfs/dbraw/zinc/16/39/55/1003163955.db2.gz YFYOKSXVKLUOTL-REWPJTCUSA-N 2 0 417.557 3.522 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000508882771 1003306491 /nfs/dbraw/zinc/30/64/91/1003306491.db2.gz RDCYLCFTEBGECK-PGRDOPGGSA-N 2 0 400.542 3.590 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000508889998 1003318613 /nfs/dbraw/zinc/31/86/13/1003318613.db2.gz FHGRXFFTLPQEKR-RDPSFJRHSA-N 2 0 423.605 3.939 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000500134474 1003494586 /nfs/dbraw/zinc/49/45/86/1003494586.db2.gz ANEDPZQQDPVRFE-UHFFFAOYSA-N 2 0 423.605 3.910 20 0 HHADRP C[C@@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC[NH+](C)CC1 ZINC000511871251 1003850143 /nfs/dbraw/zinc/85/01/43/1003850143.db2.gz ZXEILPOLHSNZLZ-DCEDVJGZSA-N 2 0 418.585 3.604 20 0 HHADRP C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500781205 1003952803 /nfs/dbraw/zinc/95/28/03/1003952803.db2.gz NNHYJEHRGWNGII-FYYLOGMGSA-N 2 0 421.589 3.571 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCCC1 ZINC000500794623 1003961011 /nfs/dbraw/zinc/96/10/11/1003961011.db2.gz VDILFVCXQCZIPZ-JOCHJYFZSA-N 2 0 416.610 3.596 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000509594883 1003968410 /nfs/dbraw/zinc/96/84/10/1003968410.db2.gz WASSJQCILADRFW-LJQANCHMSA-N 2 0 420.001 3.574 20 0 HHADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512139256 1004050970 /nfs/dbraw/zinc/05/09/70/1004050970.db2.gz KRXPJJFQQBQBSJ-NJDAHSKKSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)C[C@@H](C)O1 ZINC000512188415 1004089031 /nfs/dbraw/zinc/08/90/31/1004089031.db2.gz YIAHCEXIYJFNKK-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512197134 1004097933 /nfs/dbraw/zinc/09/79/33/1004097933.db2.gz SJWRWXFIPBEAGZ-PMACEKPBSA-N 2 0 410.606 3.869 20 0 HHADRP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021604 1004123833 /nfs/dbraw/zinc/12/38/33/1004123833.db2.gz GRJVSGNUWSQIBX-SFHVURJKSA-N 2 0 410.587 3.757 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000501030448 1004134542 /nfs/dbraw/zinc/13/45/42/1004134542.db2.gz CKPRCVRJBFQEQX-QFIPXVFZSA-N 2 0 419.013 3.994 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140323 /nfs/dbraw/zinc/14/03/23/1004140323.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 2 0 411.977 3.944 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501052908 1004155549 /nfs/dbraw/zinc/15/55/49/1004155549.db2.gz JZAMQBLPFRUGQF-SFTDATJTSA-N 2 0 404.986 3.747 20 0 HHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000501056031 1004158416 /nfs/dbraw/zinc/15/84/16/1004158416.db2.gz DKGAHEYMPLLLKL-FCUGFLGKSA-N 2 0 420.686 3.586 20 0 HHADRP c1ccc(C[NH+]2CC[C@@]3(CCN(C[C@H]4C[N@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284796 1004187485 /nfs/dbraw/zinc/18/74/85/1004187485.db2.gz DKCSGTMHDXJYSI-KAYWLYCHSA-N 2 0 419.613 3.876 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501090527 1004196836 /nfs/dbraw/zinc/19/68/36/1004196836.db2.gz SLSUFGYXBVGQKG-LJQANCHMSA-N 2 0 423.561 3.583 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512322256 1004215961 /nfs/dbraw/zinc/21/59/61/1004215961.db2.gz IQFWTWRJEBNUNJ-NLWGTHIKSA-N 2 0 405.608 3.530 20 0 HHADRP CC(C)CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339705 1004227714 /nfs/dbraw/zinc/22/77/14/1004227714.db2.gz YZLQUDHXXOZQPS-NRFANRHFSA-N 2 0 407.549 3.723 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000509962452 1004234008 /nfs/dbraw/zinc/23/40/08/1004234008.db2.gz CLWJUKBPGWIOCX-UHFFFAOYSA-N 2 0 414.525 3.552 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccsc1 ZINC000501173895 1004254636 /nfs/dbraw/zinc/25/46/36/1004254636.db2.gz KUVCKCTUPSAEEE-UXHICEINSA-N 2 0 406.571 3.872 20 0 HHADRP CC(C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000501187371 1004264795 /nfs/dbraw/zinc/26/47/95/1004264795.db2.gz MHAJFYUVSITZFT-QFIPXVFZSA-N 2 0 404.599 3.642 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512393162 1004266866 /nfs/dbraw/zinc/26/68/66/1004266866.db2.gz OKJIYDVGJKREAK-YFNKSVMNSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512403893 1004274375 /nfs/dbraw/zinc/27/43/75/1004274375.db2.gz PJAUVSVYTUMEFM-UHFFFAOYSA-N 2 0 400.542 3.563 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512429304 1004296126 /nfs/dbraw/zinc/29/61/26/1004296126.db2.gz FJLGDKHONUVADX-OFNKIYASSA-N 2 0 400.611 3.660 20 0 HHADRP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2)n1 ZINC000512434254 1004299933 /nfs/dbraw/zinc/29/99/33/1004299933.db2.gz VKPUSCSOQKTVMV-UHFFFAOYSA-N 2 0 422.495 3.825 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000510119342 1004337672 /nfs/dbraw/zinc/33/76/72/1004337672.db2.gz NVLCXCDKQYVHAX-IFMALSPDSA-N 2 0 409.574 3.658 20 0 HHADRP Cc1ccc(C)c(OCCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512487567 1004338456 /nfs/dbraw/zinc/33/84/56/1004338456.db2.gz WLYMDCVBIMUTQR-RUZDIDTESA-N 2 0 407.602 3.964 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501363434 1004368536 /nfs/dbraw/zinc/36/85/36/1004368536.db2.gz OYYQOQXUWOFVGB-QEFHDYNCSA-N 2 0 408.590 3.888 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000501402313 1004394567 /nfs/dbraw/zinc/39/45/67/1004394567.db2.gz YUHPFYIUJZUHFK-DHIUTWEWSA-N 2 0 416.610 3.642 20 0 HHADRP CCCCCC(=O)NC1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000512586818 1004402614 /nfs/dbraw/zinc/40/26/14/1004402614.db2.gz LOEVUUXCLCAUBX-UHFFFAOYSA-N 2 0 414.638 3.880 20 0 HHADRP O[C@]1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611229 1004424527 /nfs/dbraw/zinc/42/45/27/1004424527.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 2 0 419.613 3.514 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436223 /nfs/dbraw/zinc/43/62/23/1004436223.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 2 0 419.613 3.909 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270828 1004439677 /nfs/dbraw/zinc/43/96/77/1004439677.db2.gz HGYNIQGZVIAQTR-ACIOBRDBSA-N 2 0 400.611 3.564 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501475648 1004450087 /nfs/dbraw/zinc/45/00/87/1004450087.db2.gz GLRJZVOLSXEBMQ-ZWKOTPCHSA-N 2 0 407.002 3.867 20 0 HHADRP c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646765 1004458089 /nfs/dbraw/zinc/45/80/89/1004458089.db2.gz CYLLCBQCUGMHRY-ISJGIBHGSA-N 2 0 401.558 3.717 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646885 1004458353 /nfs/dbraw/zinc/45/83/53/1004458353.db2.gz DXVFLLNVKUKELA-PZUNEJSGSA-N 2 0 419.617 3.953 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CC1 ZINC000512649423 1004460906 /nfs/dbraw/zinc/46/09/06/1004460906.db2.gz RYQNYNYXGOAHIY-OAQXCZEZSA-N 2 0 411.634 3.844 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512661846 1004473184 /nfs/dbraw/zinc/47/31/84/1004473184.db2.gz USGQVUBHTVRHEZ-DNVJHFABSA-N 2 0 419.569 3.692 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510325953 1004483788 /nfs/dbraw/zinc/48/37/88/1004483788.db2.gz IYQCNHZTLJCHTP-SFTDATJTSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000512687054 1004494185 /nfs/dbraw/zinc/49/41/85/1004494185.db2.gz LSWPXHKICAGUON-DHIUTWEWSA-N 2 0 400.655 3.635 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501573937 1004528218 /nfs/dbraw/zinc/52/82/18/1004528218.db2.gz KXKGTNTXRHLIBO-UHFFFAOYSA-N 2 0 401.599 3.523 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000510388370 1004528435 /nfs/dbraw/zinc/52/84/35/1004528435.db2.gz GHSBEWHZQDYQBB-VXKWHMMOSA-N 2 0 410.562 3.861 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1OC ZINC000501634835 1004567359 /nfs/dbraw/zinc/56/73/59/1004567359.db2.gz DNGQKWGBDRHUEZ-FQEVSTJZSA-N 2 0 418.582 3.508 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)o1 ZINC000510465183 1004584778 /nfs/dbraw/zinc/58/47/78/1004584778.db2.gz ZEDNIAVEZIMDKB-JOCHJYFZSA-N 2 0 410.562 3.820 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000512837346 1004596384 /nfs/dbraw/zinc/59/63/84/1004596384.db2.gz HYVWBRZDBYZBBO-IBGZPJMESA-N 2 0 424.511 3.550 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510495390 1004614362 /nfs/dbraw/zinc/61/43/62/1004614362.db2.gz YZPKNUWXWMHEKE-IRLDBZIGSA-N 2 0 412.622 3.646 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000512851984 1004615346 /nfs/dbraw/zinc/61/53/46/1004615346.db2.gz LRYUIVIJSLGCNA-MOPGFXCFSA-N 2 0 424.511 3.596 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512853134 1004616613 /nfs/dbraw/zinc/61/66/13/1004616613.db2.gz TZPZBZHQZMKDRX-PMACEKPBSA-N 2 0 424.511 3.550 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525343 1004654671 /nfs/dbraw/zinc/65/46/71/1004654671.db2.gz MWAPZZQVBROGHV-JZWVFAODSA-N 2 0 400.611 3.804 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000510547575 1004681345 /nfs/dbraw/zinc/68/13/45/1004681345.db2.gz OZFIVTXNBXJLDU-CVDCTZTESA-N 2 0 411.615 3.965 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000512911765 1004682486 /nfs/dbraw/zinc/68/24/86/1004682486.db2.gz JWTWDSAGJHRKIT-GGAORHGYSA-N 2 0 416.610 3.736 20 0 HHADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501784848 1004725922 /nfs/dbraw/zinc/72/59/22/1004725922.db2.gz JJIBRUJHQCRJSQ-QHCPKHFHSA-N 2 0 401.595 3.803 20 0 HHADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)(N2CCCCC2)CC1 ZINC000513035775 1004770641 /nfs/dbraw/zinc/77/06/41/1004770641.db2.gz MCBFJFZQIOSLGL-UHFFFAOYSA-N 2 0 419.057 3.844 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510640876 1004771864 /nfs/dbraw/zinc/77/18/64/1004771864.db2.gz WGTICQPXNQYALB-ZVDOUQERSA-N 2 0 413.610 3.559 20 0 HHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000513046667 1004776518 /nfs/dbraw/zinc/77/65/18/1004776518.db2.gz MXPLEOAEGZDCGU-HXUWFJFHSA-N 2 0 413.528 3.931 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000510674628 1004792768 /nfs/dbraw/zinc/79/27/68/1004792768.db2.gz JMIFRVTULIYQCE-SFHVURJKSA-N 2 0 401.580 3.690 20 0 HHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000510698981 1004805045 /nfs/dbraw/zinc/80/50/45/1004805045.db2.gz BAXAHVPGNMSYMK-KRWDZBQOSA-N 2 0 406.496 3.963 20 0 HHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000510731092 1004821751 /nfs/dbraw/zinc/82/17/51/1004821751.db2.gz FJZDAIDXBVQNSK-SFHVURJKSA-N 2 0 415.528 3.901 20 0 HHADRP CC1(C)CC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC(C)(C)[NH2+]1 ZINC000510882462 1004908867 /nfs/dbraw/zinc/90/88/67/1004908867.db2.gz KLZZXPUDHVWMKI-FQEVSTJZSA-N 2 0 400.611 3.896 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000502116164 1004909811 /nfs/dbraw/zinc/90/98/11/1004909811.db2.gz CRGULDGPNKGTMH-WOJBJXKFSA-N 2 0 400.611 3.838 20 0 HHADRP c1csc(N2CCC([NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000513334261 1004916097 /nfs/dbraw/zinc/91/60/97/1004916097.db2.gz FXAZBFMGUKXNCN-UHFFFAOYSA-N 2 0 414.619 3.773 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000513368981 1004929601 /nfs/dbraw/zinc/92/96/01/1004929601.db2.gz BYOLPNUIQHYKBE-HSZRJFAPSA-N 2 0 400.611 3.758 20 0 HHADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000510942857 1004946495 /nfs/dbraw/zinc/94/64/95/1004946495.db2.gz COFSSEYCCZCXJR-XDZVQPMWSA-N 2 0 417.597 3.720 20 0 HHADRP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510951208 1004950027 /nfs/dbraw/zinc/95/00/27/1004950027.db2.gz KVLWBJMYNTXIEH-RPISRQAYSA-N 2 0 421.585 3.723 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510976725 1004962592 /nfs/dbraw/zinc/96/25/92/1004962592.db2.gz VIQOIXFWFZKLRE-TZIWHRDSSA-N 2 0 401.595 3.790 20 0 HHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000513506279 1004995134 /nfs/dbraw/zinc/99/51/34/1004995134.db2.gz PLVMGCIZGNGENU-IRLDBZIGSA-N 2 0 409.574 3.544 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000513690782 1005084158 /nfs/dbraw/zinc/08/41/58/1005084158.db2.gz MDYOOBMWAQSXRH-VAMGGRTRSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511232953 1005084674 /nfs/dbraw/zinc/08/46/74/1005084674.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 2 0 401.570 3.807 20 0 HHADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000513712413 1005092432 /nfs/dbraw/zinc/09/24/32/1005092432.db2.gz BZCDOFLWUCRCJA-GOSISDBHSA-N 2 0 401.576 3.788 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410683 1005164470 /nfs/dbraw/zinc/16/44/70/1005164470.db2.gz PBJGSIAJAKGQQQ-BAMDZGJYSA-N 2 0 412.622 3.992 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000513963038 1005204296 /nfs/dbraw/zinc/20/42/96/1005204296.db2.gz JWGRDRWJCXZOGS-NRFANRHFSA-N 2 0 423.601 3.729 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCC3([NH+]4CCSCC4)CCCC3)CC2)CC1 ZINC000502774057 1005211696 /nfs/dbraw/zinc/21/16/96/1005211696.db2.gz YFGRHCCHKXMEHH-UHFFFAOYSA-N 2 0 422.683 3.690 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000513981010 1005212104 /nfs/dbraw/zinc/21/21/04/1005212104.db2.gz DGWXELPZJLBIJH-UHFFFAOYSA-N 2 0 424.589 3.799 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)CC1 ZINC000502795107 1005220657 /nfs/dbraw/zinc/22/06/57/1005220657.db2.gz WOAZHQCIHWVICX-CBNMVNINSA-N 2 0 402.583 3.759 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000514010700 1005227116 /nfs/dbraw/zinc/22/71/16/1005227116.db2.gz DIYDTABDAILENZ-NRFANRHFSA-N 2 0 414.619 3.781 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021347 1005231268 /nfs/dbraw/zinc/23/12/68/1005231268.db2.gz YNFHSAUVHKIVIH-QRVBRYPASA-N 2 0 421.029 3.970 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021345 1005231467 /nfs/dbraw/zinc/23/14/67/1005231467.db2.gz YNFHSAUVHKIVIH-GUDVDZBRSA-N 2 0 421.029 3.970 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000502829077 1005235437 /nfs/dbraw/zinc/23/54/37/1005235437.db2.gz PVEPKWSZWMDKCZ-XPNTWCBSSA-N 2 0 400.611 3.708 20 0 HHADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514032745 1005236205 /nfs/dbraw/zinc/23/62/05/1005236205.db2.gz KUYYGLNFLJKQTM-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033132 1005236379 /nfs/dbraw/zinc/23/63/79/1005236379.db2.gz QBBHZJQDZQABDO-YKSBVNFPSA-N 2 0 406.574 3.917 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CC2)CC1 ZINC000502833191 1005237636 /nfs/dbraw/zinc/23/76/36/1005237636.db2.gz SUDRODSITYQBMD-XLLVLBFCSA-N 2 0 402.627 3.688 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000511626385 1005250333 /nfs/dbraw/zinc/25/03/33/1005250333.db2.gz IOHHGVKELHAFEA-XMMPIXPASA-N 2 0 421.585 3.861 20 0 HHADRP COc1ccc2ccccc2c1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000511630049 1005252380 /nfs/dbraw/zinc/25/23/80/1005252380.db2.gz QRPQMZANSPSUQL-UHFFFAOYSA-N 2 0 411.590 3.764 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000502896908 1005264449 /nfs/dbraw/zinc/26/44/49/1005264449.db2.gz XCVMKMNACOWYQC-NRFANRHFSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269984 /nfs/dbraw/zinc/26/99/84/1005269984.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 2 0 400.611 3.879 20 0 HHADRP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502909880 1005270690 /nfs/dbraw/zinc/27/06/90/1005270690.db2.gz IQFGSWCXUZDMED-OAQYLSRUSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502937814 1005283138 /nfs/dbraw/zinc/28/31/38/1005283138.db2.gz FCMRQUSHNVFTOV-NHCUHLMSSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502946550 1005287266 /nfs/dbraw/zinc/28/72/66/1005287266.db2.gz BKOJEFPLVSULFB-FQEVSTJZSA-N 2 0 408.590 3.863 20 0 HHADRP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000502966005 1005295426 /nfs/dbraw/zinc/29/54/26/1005295426.db2.gz FPJUCDWVKZUQNT-UHFFFAOYSA-N 2 0 412.622 3.601 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[NH+](C)C)c1 ZINC000514181874 1005301236 /nfs/dbraw/zinc/30/12/36/1005301236.db2.gz FYZDBUKYQNSQQC-DNQXCXABSA-N 2 0 424.589 3.743 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000511773322 1005318839 /nfs/dbraw/zinc/31/88/39/1005318839.db2.gz AZKYQZBYXZNPID-UHFFFAOYSA-N 2 0 421.589 3.615 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000514244394 1005330518 /nfs/dbraw/zinc/33/05/18/1005330518.db2.gz HJQJGRDFMPHEMU-NRFANRHFSA-N 2 0 407.002 3.898 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000503333115 1005392222 /nfs/dbraw/zinc/39/22/22/1005392222.db2.gz TVQXDAKUMWSGMV-QHCPKHFHSA-N 2 0 400.611 3.792 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)cc1 ZINC000503349637 1005395630 /nfs/dbraw/zinc/39/56/30/1005395630.db2.gz WJZFASCUDPGJFX-GMAHTHKFSA-N 2 0 400.611 3.895 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000503386841 1005404910 /nfs/dbraw/zinc/40/49/10/1005404910.db2.gz FIXGWJOGDXQWKX-ISKFKSNPSA-N 2 0 412.622 3.977 20 0 HHADRP O=C(C[NH2+][C@@H]1CCCC12CCOCC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503417660 1005414334 /nfs/dbraw/zinc/41/43/34/1005414334.db2.gz WFBQDBZFNHLZTQ-NHCUHLMSSA-N 2 0 419.997 3.532 20 0 HHADRP CC(C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000503445442 1005422461 /nfs/dbraw/zinc/42/24/61/1005422461.db2.gz DFNXHKKHGDZMSH-PKTZIBPZSA-N 2 0 406.659 3.896 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)C2)CC1 ZINC000503498474 1005437754 /nfs/dbraw/zinc/43/77/54/1005437754.db2.gz LYZZQMKPNIOQAB-DENIHFKCSA-N 2 0 404.574 3.582 20 0 HHADRP CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000503735759 1005487283 /nfs/dbraw/zinc/48/72/83/1005487283.db2.gz AAFLJICUELCBCW-HSZRJFAPSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)(CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000503970838 1005522830 /nfs/dbraw/zinc/52/28/30/1005522830.db2.gz WZFZZTJVDRJOFV-UHFFFAOYSA-N 2 0 407.002 3.868 20 0 HHADRP CC(C)[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000504267821 1005585960 /nfs/dbraw/zinc/58/59/60/1005585960.db2.gz PHFPBTBCTINLPS-QFIPXVFZSA-N 2 0 403.636 3.722 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000514566652 1006039622 /nfs/dbraw/zinc/03/96/22/1006039622.db2.gz OOWKOAFAVWLQBP-DEOSSOPVSA-N 2 0 406.574 3.919 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000514579201 1006045846 /nfs/dbraw/zinc/04/58/46/1006045846.db2.gz WHNJMQWYUCHZHM-UHFFFAOYSA-N 2 0 424.564 3.839 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531317685 1006117658 /nfs/dbraw/zinc/11/76/58/1006117658.db2.gz HXARXOAUAGYIHJ-NRFANRHFSA-N 2 0 402.970 3.894 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795218 1006130007 /nfs/dbraw/zinc/13/00/07/1006130007.db2.gz ZNWFMWVZRCMDMQ-JXFKEZNVSA-N 2 0 404.352 3.723 20 0 HHADRP C[NH+]1CCN(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166867 /nfs/dbraw/zinc/16/68/67/1006166867.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 2 0 418.629 3.760 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206984 1006200022 /nfs/dbraw/zinc/20/00/22/1006200022.db2.gz KIBOQRAZRJUXDD-OYMMLTSBSA-N 2 0 424.992 3.892 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000531453771 1006207070 /nfs/dbraw/zinc/20/70/70/1006207070.db2.gz GNYHHGNMQSTJFU-NFBKMPQASA-N 2 0 406.574 3.776 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NCc1ccc(Cl)cc1 ZINC000534228451 1006226775 /nfs/dbraw/zinc/22/67/75/1006226775.db2.gz QCPNKDQESOGBNR-UHFFFAOYSA-N 2 0 411.977 3.944 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250097 1006257433 /nfs/dbraw/zinc/25/74/33/1006257433.db2.gz IJNTUNYTBZTDLO-NQIIRXRSSA-N 2 0 424.992 3.893 20 0 HHADRP Cc1ccc(-n2cc(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000531584457 1006286879 /nfs/dbraw/zinc/28/68/79/1006286879.db2.gz MXIUCDQHUGGCCP-QHCPKHFHSA-N 2 0 411.638 3.840 20 0 HHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000531610638 1006304847 /nfs/dbraw/zinc/30/48/47/1006304847.db2.gz XUYXNFXLEXRUNG-UHFFFAOYSA-N 2 0 414.594 3.639 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531704511 1006366637 /nfs/dbraw/zinc/36/66/37/1006366637.db2.gz DWGKRZVNHLOCSP-FVWXCPNNSA-N 2 0 417.491 3.854 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)[NH+]2CCCCC2)cc1 ZINC000515290888 1006380145 /nfs/dbraw/zinc/38/01/45/1006380145.db2.gz KFIDBKVABVDVAF-HSZRJFAPSA-N 2 0 416.610 3.643 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448944 1006430385 /nfs/dbraw/zinc/43/03/85/1006430385.db2.gz YILIMHZIGDSINC-DNQXCXABSA-N 2 0 412.622 3.833 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000515389564 1006431733 /nfs/dbraw/zinc/43/17/33/1006431733.db2.gz IHPFAEVFUBIPOI-PZUNEJSGSA-N 2 0 420.601 3.686 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(OC(F)(F)F)cc43)cn2)CC1 ZINC000531942031 1006534428 /nfs/dbraw/zinc/53/44/28/1006534428.db2.gz MXKAGDBJNLCLCQ-LJQANCHMSA-N 2 0 406.452 3.509 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000538343846 1006611149 /nfs/dbraw/zinc/61/11/49/1006611149.db2.gz ONKRJEUNNXPSKQ-UHFFFAOYSA-N 2 0 409.603 3.718 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000532105696 1006639212 /nfs/dbraw/zinc/63/92/12/1006639212.db2.gz QKSWNNPUPZJJAA-URXFXBBRSA-N 2 0 406.618 3.970 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756235 1006645824 /nfs/dbraw/zinc/64/58/24/1006645824.db2.gz SGZKBQGKWFQNRF-VQTJNVASSA-N 2 0 411.565 3.895 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1 ZINC000515759664 1006650263 /nfs/dbraw/zinc/65/02/63/1006650263.db2.gz TZPXMRJUHQYYKJ-LJQANCHMSA-N 2 0 410.562 3.972 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515804930 1006685161 /nfs/dbraw/zinc/68/51/61/1006685161.db2.gz ZLUFVOCXJUJRGT-QHCPKHFHSA-N 2 0 412.553 3.736 20 0 HHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c(C)c1 ZINC000532188767 1006707716 /nfs/dbraw/zinc/70/77/16/1006707716.db2.gz XZVLAHKKFHQLGJ-CTNGQTDRSA-N 2 0 414.619 3.660 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000532201549 1006718091 /nfs/dbraw/zinc/71/80/91/1006718091.db2.gz NTLYNKOOEWRDHL-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP CN(c1ccccc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000532358645 1006816470 /nfs/dbraw/zinc/81/64/70/1006816470.db2.gz SNETYAABXSDRKM-UHFFFAOYSA-N 2 0 420.601 3.629 20 0 HHADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532409902 1006855641 /nfs/dbraw/zinc/85/56/41/1006855641.db2.gz HZBCTMLOIYNULZ-GUDVDZBRSA-N 2 0 422.013 3.681 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000532455186 1006896971 /nfs/dbraw/zinc/89/69/71/1006896971.db2.gz BZSGIZXNRUZCIB-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000516159439 1006922046 /nfs/dbraw/zinc/92/20/46/1006922046.db2.gz WZAMFSOTDOJMPI-SFTDATJTSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000538662954 1006938291 /nfs/dbraw/zinc/93/82/91/1006938291.db2.gz UDDSKNNNTFYHCF-JOCHJYFZSA-N 2 0 415.622 3.824 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(CCN3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512101 1006950096 /nfs/dbraw/zinc/95/00/96/1006950096.db2.gz VSCVSEXCYTWUMT-UIOOFZCWSA-N 2 0 418.714 3.874 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233227 1006964826 /nfs/dbraw/zinc/96/48/26/1006964826.db2.gz RGZXZBSBIAUKNP-IRFCIJBXSA-N 2 0 415.626 3.625 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943342 1006985345 /nfs/dbraw/zinc/98/53/45/1006985345.db2.gz UHXBRLPIGQLWBI-QFBILLFUSA-N 2 0 410.965 3.646 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534962178 1007011394 /nfs/dbraw/zinc/01/13/94/1007011394.db2.gz NSZDNZDHXAFVLE-QHCPKHFHSA-N 2 0 412.622 3.805 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734956 1007016021 /nfs/dbraw/zinc/01/60/21/1007016021.db2.gz OPTWPMVHUXPZRA-VMPITWQZSA-N 2 0 409.549 3.799 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000538741031 1007025907 /nfs/dbraw/zinc/02/59/07/1007025907.db2.gz QYOHGEDELDRYMC-KRWDZBQOSA-N 2 0 410.484 3.675 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000516352957 1007035401 /nfs/dbraw/zinc/03/54/01/1007035401.db2.gz HZYJCPMLBYIGNL-CQSZACIVSA-N 2 0 422.333 3.831 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000534987231 1007045837 /nfs/dbraw/zinc/04/58/37/1007045837.db2.gz CDBJFWGZGWKIQA-XNWPKKHHSA-N 2 0 410.965 3.596 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991205 1007050816 /nfs/dbraw/zinc/05/08/16/1007050816.db2.gz CLBLDTBDCKSYGA-WRWLIDTKSA-N 2 0 410.965 3.503 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532635573 1007055242 /nfs/dbraw/zinc/05/52/42/1007055242.db2.gz URMUAJCLSHXFBK-JOCHJYFZSA-N 2 0 422.573 3.797 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089647 1007102914 /nfs/dbraw/zinc/10/29/14/1007102914.db2.gz STPMTWGKKNIADQ-GPXOXTDOSA-N 2 0 421.585 3.641 20 0 HHADRP Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000532708128 1007122070 /nfs/dbraw/zinc/12/20/70/1007122070.db2.gz QOZAGIKMUNJUGB-NZQKXSOJSA-N 2 0 408.590 3.846 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(Br)cc43)cn2)CC1 ZINC000538867942 1007145446 /nfs/dbraw/zinc/14/54/46/1007145446.db2.gz YXRKGLNFJBUIPX-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163643 /nfs/dbraw/zinc/16/36/43/1007163643.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 2 0 400.611 3.975 20 0 HHADRP CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813320 1007198718 /nfs/dbraw/zinc/19/87/18/1007198718.db2.gz CRTDCBUGZLYLIS-IFMALSPDSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945856 1007230239 /nfs/dbraw/zinc/23/02/39/1007230239.db2.gz SOBMSVJMWPDGDE-MRXNPFEDSA-N 2 0 402.489 3.925 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000538950977 1007238758 /nfs/dbraw/zinc/23/87/58/1007238758.db2.gz SOPPVAPXFJTWHP-UHFFFAOYSA-N 2 0 401.551 3.578 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000532926089 1007297905 /nfs/dbraw/zinc/29/79/05/1007297905.db2.gz QTDFQPYZDNPUTI-XMMPIXPASA-N 2 0 411.615 3.886 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cnn1-c1cc(C)ccc1C ZINC000539047301 1007344276 /nfs/dbraw/zinc/34/42/76/1007344276.db2.gz NCXDIGICRRZGGK-IBGZPJMESA-N 2 0 407.562 3.984 20 0 HHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000539063774 1007356227 /nfs/dbraw/zinc/35/62/27/1007356227.db2.gz VDGFOCYQJKBFTG-GDIGMMSISA-N 2 0 411.384 3.876 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986596 1007358085 /nfs/dbraw/zinc/35/80/85/1007358085.db2.gz FYULQXUKZDEANX-XJUOHMSHSA-N 2 0 422.617 3.506 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000535366296 1007424308 /nfs/dbraw/zinc/42/43/08/1007424308.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 2 0 406.574 3.642 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000517140066 1007454466 /nfs/dbraw/zinc/45/44/66/1007454466.db2.gz BYJIOHNUJJBISX-QHCPKHFHSA-N 2 0 400.611 3.838 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464534 /nfs/dbraw/zinc/46/45/34/1007464534.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 2 0 412.603 3.876 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000533248258 1007567122 /nfs/dbraw/zinc/56/71/22/1007567122.db2.gz HBGHVBRIQFATFW-UHFFFAOYSA-N 2 0 407.558 3.910 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000533275128 1007587567 /nfs/dbraw/zinc/58/75/67/1007587567.db2.gz AIMZRAKZBWSFSI-UHFFFAOYSA-N 2 0 422.573 3.796 20 0 HHADRP Brc1cccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)c1 ZINC000539310655 1007609372 /nfs/dbraw/zinc/60/93/72/1007609372.db2.gz HARPVHBWRZPBBZ-UHFFFAOYSA-N 2 0 407.396 3.961 20 0 HHADRP CC[C@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315227 1007613728 /nfs/dbraw/zinc/61/37/28/1007613728.db2.gz UFTFQCOOHVBDKL-NBCNXNJRSA-N 2 0 401.501 3.785 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000539363467 1007666781 /nfs/dbraw/zinc/66/67/81/1007666781.db2.gz NIESQHVYVVGOIK-QHCPKHFHSA-N 2 0 402.542 3.993 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699946 1007735759 /nfs/dbraw/zinc/73/57/59/1007735759.db2.gz KVSINEKRAILDBA-OXJNMPFZSA-N 2 0 410.965 3.644 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699974 1007735859 /nfs/dbraw/zinc/73/58/59/1007735859.db2.gz KZZGCKVDMCPPHD-NQIIRXRSSA-N 2 0 424.992 3.845 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+](C)C)cc1 ZINC000535704718 1007743449 /nfs/dbraw/zinc/74/34/49/1007743449.db2.gz KDXYHCHEJAJJCH-JOCHJYFZSA-N 2 0 400.542 3.552 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000535705513 1007744522 /nfs/dbraw/zinc/74/45/22/1007744522.db2.gz SBQVWTBKWDFHOM-FGZHOGPDSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000535705514 1007744651 /nfs/dbraw/zinc/74/46/51/1007744651.db2.gz SBQVWTBKWDFHOM-VXKWHMMOSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653462 1007866420 /nfs/dbraw/zinc/86/64/20/1007866420.db2.gz UYLAGFOJBAEKGY-ISKFKSNPSA-N 2 0 420.601 3.541 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H](C)C1 ZINC000539627180 1007943727 /nfs/dbraw/zinc/94/37/27/1007943727.db2.gz MUYGDGFKVOJYTE-PXDATVDWSA-N 2 0 414.638 3.768 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636687 1007953027 /nfs/dbraw/zinc/95/30/27/1007953027.db2.gz HKQAYIUIWUHOSL-NRFANRHFSA-N 2 0 410.606 3.938 20 0 HHADRP Cc1cccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC000517777160 1007959876 /nfs/dbraw/zinc/95/98/76/1007959876.db2.gz CJZSODBKKDPTEY-DEOSSOPVSA-N 2 0 405.586 3.874 20 0 HHADRP Cc1c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000539648064 1007965853 /nfs/dbraw/zinc/96/58/53/1007965853.db2.gz MYOBRDDUZQBHOX-IERDGZPVSA-N 2 0 420.001 3.577 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884296 1008028296 /nfs/dbraw/zinc/02/82/96/1008028296.db2.gz NVNBHBXJHNEJAY-NFBKMPQASA-N 2 0 416.610 3.642 20 0 HHADRP COc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)c1OC ZINC000539825939 1008121095 /nfs/dbraw/zinc/12/10/95/1008121095.db2.gz YQRUIPSQRHVPBU-UHFFFAOYSA-N 2 0 424.029 3.985 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000539862564 1008147554 /nfs/dbraw/zinc/14/75/54/1008147554.db2.gz LUUSYOWDGPSAHP-QHCPKHFHSA-N 2 0 403.574 3.626 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539863343 1008148396 /nfs/dbraw/zinc/14/83/96/1008148396.db2.gz WLYUYFRYZFPLIV-OALUTQOASA-N 2 0 412.578 3.797 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955806 1008231844 /nfs/dbraw/zinc/23/18/44/1008231844.db2.gz SPJBNXJAAXXMKO-KMDXXIMOSA-N 2 0 422.573 3.577 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955805 1008231910 /nfs/dbraw/zinc/23/19/10/1008231910.db2.gz SPJBNXJAAXXMKO-HJOGWXRNSA-N 2 0 422.573 3.577 20 0 HHADRP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045057 1008254252 /nfs/dbraw/zinc/25/42/52/1008254252.db2.gz AVMQTXYASWZQKF-IBGZPJMESA-N 2 0 410.562 3.964 20 0 HHADRP CN(c1ccccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000540068011 1008269150 /nfs/dbraw/zinc/26/91/50/1008269150.db2.gz LKLFWLUVDPDEQW-UHFFFAOYSA-N 3 0 407.606 3.618 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c(C)n2n1 ZINC000540085928 1008279830 /nfs/dbraw/zinc/27/98/30/1008279830.db2.gz YWYYVPKEVHGUMR-DLBZAZTESA-N 2 0 410.541 3.649 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000518402430 1008289929 /nfs/dbraw/zinc/28/99/29/1008289929.db2.gz AHLYVVHASLTQBC-RTBURBONSA-N 2 0 404.599 3.642 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000518431979 1008302989 /nfs/dbraw/zinc/30/29/89/1008302989.db2.gz HQNQJJDSJMIOIP-UHFFFAOYSA-N 2 0 401.595 3.683 20 0 HHADRP C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540141170 1008309099 /nfs/dbraw/zinc/30/90/99/1008309099.db2.gz FMOPESVURHEJNR-MGPUTAFESA-N 2 0 407.352 3.774 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000540171475 1008321175 /nfs/dbraw/zinc/32/11/75/1008321175.db2.gz XWKDEAFYOZHLMV-FQEVSTJZSA-N 2 0 417.557 3.549 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540176998 1008324148 /nfs/dbraw/zinc/32/41/48/1008324148.db2.gz XHILAUNEQKOYGL-IBGZPJMESA-N 2 0 416.610 3.784 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540182324 1008326357 /nfs/dbraw/zinc/32/63/57/1008326357.db2.gz AGWMGOHEGJOONL-IERDGZPVSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573422 1008351251 /nfs/dbraw/zinc/35/12/51/1008351251.db2.gz POLVOUQPXFGGGG-JTHBVZDNSA-N 2 0 421.585 3.922 20 0 HHADRP CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000540376811 1008406502 /nfs/dbraw/zinc/40/65/02/1008406502.db2.gz SQZXMUPPZYRJPC-SFHVURJKSA-N 2 0 413.587 3.923 20 0 HHADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000540468587 1008443626 /nfs/dbraw/zinc/44/36/26/1008443626.db2.gz PFISGEOHGXOEDU-HXUWFJFHSA-N 2 0 400.588 3.871 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000545459289 1008570660 /nfs/dbraw/zinc/57/06/60/1008570660.db2.gz NJHHIBNHJDIXQH-UHFFFAOYSA-N 2 0 410.400 3.540 20 0 HHADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCC(C)CC1 ZINC000543014942 1008592765 /nfs/dbraw/zinc/59/27/65/1008592765.db2.gz OWABGUGYBWDKBT-LQOCYXTFSA-N 2 0 401.639 3.842 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000543161236 1008734516 /nfs/dbraw/zinc/73/45/16/1008734516.db2.gz VSAUQSKRCZKTCR-DEOSSOPVSA-N 2 0 405.517 3.741 20 0 HHADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000549164578 1008735558 /nfs/dbraw/zinc/73/55/58/1008735558.db2.gz ICQLCCQGZPKXQF-YKSBVNFPSA-N 2 0 407.558 3.798 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204272 1008775869 /nfs/dbraw/zinc/77/58/69/1008775869.db2.gz GSJJVAWKWIXWHH-BAGYTPMASA-N 2 0 400.611 3.659 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000549226974 1008797109 /nfs/dbraw/zinc/79/71/09/1008797109.db2.gz AJBCLJRJNJDTKU-WZYRSQIMSA-N 2 0 400.563 3.526 20 0 HHADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000543236294 1008804445 /nfs/dbraw/zinc/80/44/45/1008804445.db2.gz GDFMQMWTKAYYOL-PKTZIBPZSA-N 2 0 401.518 3.633 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2sccc2Cl)CC1)Cc1ccccc1 ZINC000549350394 1008929793 /nfs/dbraw/zinc/92/97/93/1008929793.db2.gz WHXFKPVIKKQVLV-UHFFFAOYSA-N 2 0 405.995 3.862 20 0 HHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000543432052 1009021534 /nfs/dbraw/zinc/02/15/34/1009021534.db2.gz GHKNCZWHOICENG-FQEVSTJZSA-N 2 0 423.605 3.552 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccc(Cl)cc1 ZINC000549457213 1009049506 /nfs/dbraw/zinc/04/95/06/1009049506.db2.gz RFJGXLBFTAMBSL-NRFANRHFSA-N 2 0 411.937 3.687 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCCCC1 ZINC000519940227 1009093250 /nfs/dbraw/zinc/09/32/50/1009093250.db2.gz WOKDDZHSZRFYOF-LJQANCHMSA-N 2 0 406.640 3.914 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000520129798 1009282874 /nfs/dbraw/zinc/28/28/74/1009282874.db2.gz TTYDHAVKXAGYAJ-OALUTQOASA-N 2 0 424.580 3.796 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130477 1009284174 /nfs/dbraw/zinc/28/41/74/1009284174.db2.gz HBYNKFXKCIUKKT-VGSWGCGISA-N 2 0 410.553 3.549 20 0 HHADRP COc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000520202257 1009339770 /nfs/dbraw/zinc/33/97/70/1009339770.db2.gz QOIORHMPXMWXCF-QFIPXVFZSA-N 2 0 416.610 3.738 20 0 HHADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2(C[NH+](C)[C@@H]3C[C@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859942 1009426471 /nfs/dbraw/zinc/42/64/71/1009426471.db2.gz KURIAZDCAZAZHE-ZDNVTZCJSA-N 2 0 420.638 3.562 20 0 HHADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000520417424 1009542181 /nfs/dbraw/zinc/54/21/81/1009542181.db2.gz KUMQMQLKVLNWER-QGZVFWFLSA-N 2 0 414.516 3.653 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000543993218 1009592247 /nfs/dbraw/zinc/59/22/47/1009592247.db2.gz WGSBURPUYUVNPJ-RRQGHBQHSA-N 2 0 409.596 3.721 20 0 HHADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000543993295 1009592366 /nfs/dbraw/zinc/59/23/66/1009592366.db2.gz VZNJJICWOORZOM-AWEZNQCLSA-N 2 0 409.596 3.723 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000543998237 1009599216 /nfs/dbraw/zinc/59/92/16/1009599216.db2.gz PDUWOMXHFMVCAC-ROUUACIJSA-N 2 0 400.567 3.606 20 0 HHADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000544041173 1009643053 /nfs/dbraw/zinc/64/30/53/1009643053.db2.gz ABTQMTCBPTUKFF-VLCRHTCISA-N 2 0 414.594 3.551 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000520613114 1009688796 /nfs/dbraw/zinc/68/87/96/1009688796.db2.gz RNAFPBWXBQDZTO-NHCUHLMSSA-N 2 0 400.611 3.981 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2conc2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000550097481 1009699759 /nfs/dbraw/zinc/69/97/59/1009699759.db2.gz QSRPPIFQJIVTRY-VWLOTQADSA-N 2 0 404.558 3.734 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000544093684 1009702681 /nfs/dbraw/zinc/70/26/81/1009702681.db2.gz NWUDLYSCPHGHIC-HXUWFJFHSA-N 2 0 407.480 3.732 20 0 HHADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704846 /nfs/dbraw/zinc/70/48/46/1009704846.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 2 0 421.560 3.942 20 0 HHADRP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933996 1009893769 /nfs/dbraw/zinc/89/37/69/1009893769.db2.gz IDURLTIMNVCQKD-VQTJNVASSA-N 2 0 417.619 3.945 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842984 1009897889 /nfs/dbraw/zinc/89/78/89/1009897889.db2.gz BJXHLQHFNWGJDI-JXALWOEJSA-N 2 0 406.574 3.568 20 0 HHADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000520985371 1010025432 /nfs/dbraw/zinc/02/54/32/1010025432.db2.gz UZHYYIMCLVMIDK-JOCHJYFZSA-N 2 0 416.610 3.665 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521071104 1010088072 /nfs/dbraw/zinc/08/80/72/1010088072.db2.gz MMRZWTGENKLUPK-NRFANRHFSA-N 2 0 410.553 3.549 20 0 HHADRP c1ccc([C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cncnc2)cc1 ZINC000544566033 1010195322 /nfs/dbraw/zinc/19/53/22/1010195322.db2.gz SDXPXRWNQXYPQS-VWLOTQADSA-N 2 0 401.558 3.758 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000544635736 1010259278 /nfs/dbraw/zinc/25/92/78/1010259278.db2.gz CLSHCQCWWUTTBA-AUSIDOKSSA-N 2 0 416.610 3.594 20 0 HHADRP CS(=O)(=O)C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000550997733 1010307532 /nfs/dbraw/zinc/30/75/32/1010307532.db2.gz PEHYHLFWTXZYIS-XMMPIXPASA-N 2 0 412.599 3.862 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547508240 1010333510 /nfs/dbraw/zinc/33/35/10/1010333510.db2.gz DOGLONPTPQVJMI-QTGUNEKASA-N 2 0 419.548 3.899 20 0 HHADRP CC[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000544790907 1010385839 /nfs/dbraw/zinc/38/58/39/1010385839.db2.gz MSNCWQHBQXUXPK-JOCHJYFZSA-N 2 0 410.562 3.755 20 0 HHADRP CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)CC1 ZINC000544826163 1010417707 /nfs/dbraw/zinc/41/77/07/1010417707.db2.gz CJSHJKKYMRSLPJ-UHFFFAOYSA-N 2 0 422.411 3.826 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544832025 1010422640 /nfs/dbraw/zinc/42/26/40/1010422640.db2.gz IFLNUFUDFYDFSL-HSZRJFAPSA-N 2 0 400.998 3.882 20 0 HHADRP O=C1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264826 1010481215 /nfs/dbraw/zinc/48/12/15/1010481215.db2.gz OGUGNBLALAWFON-JTHBVZDNSA-N 2 0 419.569 3.978 20 0 HHADRP CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548441714 1010628176 /nfs/dbraw/zinc/62/81/76/1010628176.db2.gz MQCFVPGTKFKVKO-VWLOTQADSA-N 2 0 420.601 3.957 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000521826689 1010642694 /nfs/dbraw/zinc/64/26/94/1010642694.db2.gz LDQQZUYFGMOHDA-UHFFFAOYSA-N 2 0 415.585 3.831 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487168 1010643845 /nfs/dbraw/zinc/64/38/45/1010643845.db2.gz BBYHXRGQHIOTBL-CVJWPJSTSA-N 3 0 407.602 3.644 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875438 1010679431 /nfs/dbraw/zinc/67/94/31/1010679431.db2.gz BOOCRRFIEKHXHC-TZIWHRDSSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703253 1010749304 /nfs/dbraw/zinc/74/93/04/1010749304.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 2 0 407.602 3.778 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000548922702 1010761367 /nfs/dbraw/zinc/76/13/67/1010761367.db2.gz PLIHZVOWBUXQAH-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545387618 1010768164 /nfs/dbraw/zinc/76/81/64/1010768164.db2.gz ZKXOZWMGFJKNMT-OXJNMPFZSA-N 2 0 420.479 3.979 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000522048169 1010777614 /nfs/dbraw/zinc/77/76/14/1010777614.db2.gz FNFLEWZGOZIFGT-NRFANRHFSA-N 2 0 408.590 3.513 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000522173543 1010846547 /nfs/dbraw/zinc/84/65/47/1010846547.db2.gz WFLUCZGHAPSKOD-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522293957 1010911120 /nfs/dbraw/zinc/91/11/20/1010911120.db2.gz QABWPCRQIQIGEF-DEOSSOPVSA-N 2 0 406.574 3.746 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522354107 1010951838 /nfs/dbraw/zinc/95/18/38/1010951838.db2.gz BUGOIZOYFUGLFY-QFIPXVFZSA-N 2 0 410.562 3.820 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000522406696 1010987502 /nfs/dbraw/zinc/98/75/02/1010987502.db2.gz SJDGXIBJOWMADV-ZEQRLZLVSA-N 2 0 421.589 3.619 20 0 HHADRP CCCN(C(=O)NC[C@H]1CC[NH+](CCC)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522433684 1011009399 /nfs/dbraw/zinc/00/93/99/1011009399.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000522598263 1011101854 /nfs/dbraw/zinc/10/18/54/1011101854.db2.gz VIMYBFNXICMQCX-HXUWFJFHSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000522627427 1011122076 /nfs/dbraw/zinc/12/20/76/1011122076.db2.gz HITUXIZNYJUYBC-LJQANCHMSA-N 2 0 410.562 3.974 20 0 HHADRP CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)oc21 ZINC000540593516 1011251132 /nfs/dbraw/zinc/25/11/32/1011251132.db2.gz HWNNQYCMZWBBAJ-KRWDZBQOSA-N 2 0 409.530 3.974 20 0 HHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606337 1011259273 /nfs/dbraw/zinc/25/92/73/1011259273.db2.gz NTGJWBXNAYZBRE-GOSISDBHSA-N 2 0 405.608 3.600 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000540651427 1011303815 /nfs/dbraw/zinc/30/38/15/1011303815.db2.gz AETJDRQSMKANFF-UXHICEINSA-N 2 0 423.532 3.974 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536192735 1011333106 /nfs/dbraw/zinc/33/31/06/1011333106.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 2 0 406.574 3.595 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521052 1011712421 /nfs/dbraw/zinc/71/24/21/1011712421.db2.gz YONWWJHFZOPCCH-ICSRJNTNSA-N 2 0 404.574 3.683 20 0 HHADRP COc1cc2c(cc1C[N@H+](C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@@H](C)C2 ZINC000536667082 1011819899 /nfs/dbraw/zinc/81/98/99/1011819899.db2.gz YSOJKLBPXFIOSC-IBGZPJMESA-N 2 0 415.622 3.647 20 0 HHADRP COCCOc1cc2c(cc1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)OCO2 ZINC000536698324 1011867566 /nfs/dbraw/zinc/86/75/66/1011867566.db2.gz WLCVEQMHYJNGHG-UHFFFAOYSA-N 2 0 404.551 3.529 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000541209875 1011879988 /nfs/dbraw/zinc/87/99/88/1011879988.db2.gz UIUQYKAJCBOASL-KRWDZBQOSA-N 2 0 408.546 3.604 20 0 HHADRP Cc1ccc(CN(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)o1 ZINC000536713847 1011886740 /nfs/dbraw/zinc/88/67/40/1011886740.db2.gz RDWQZQQXUXTVRL-UHFFFAOYSA-N 2 0 410.562 3.713 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000541217469 1011891208 /nfs/dbraw/zinc/89/12/08/1011891208.db2.gz WJIYEFULEURZRL-AWEZNQCLSA-N 2 0 409.596 3.580 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000552047568 1012067232 /nfs/dbraw/zinc/06/72/32/1012067232.db2.gz QUUMSWBVTYKEIE-XTWGIRIWSA-N 2 0 415.603 3.689 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000541378974 1012095471 /nfs/dbraw/zinc/09/54/71/1012095471.db2.gz YRJKRWLEFROZLE-DVECYGJZSA-N 2 0 406.530 3.991 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000536874454 1012116175 /nfs/dbraw/zinc/11/61/75/1012116175.db2.gz CZRUNQQFGFPNKC-NRFANRHFSA-N 2 0 423.601 3.901 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000523604339 1012171820 /nfs/dbraw/zinc/17/18/20/1012171820.db2.gz PCOKURYSYSBDCG-UCBGAZFYSA-N 2 0 412.622 3.992 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552150315 1012171800 /nfs/dbraw/zinc/17/18/00/1012171800.db2.gz WERYDKDWOQWGGN-UHFFFAOYSA-N 2 0 414.553 3.796 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC000541424787 1012173027 /nfs/dbraw/zinc/17/30/27/1012173027.db2.gz FJKKMNBFNFWFAS-FQEVSTJZSA-N 2 0 417.594 3.505 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1)CC(C)C ZINC000536927214 1012212602 /nfs/dbraw/zinc/21/26/02/1012212602.db2.gz ZGUJSQUHNPKENX-UHFFFAOYSA-N 2 0 407.643 3.628 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)o1 ZINC000523644356 1012236708 /nfs/dbraw/zinc/23/67/08/1012236708.db2.gz CNHUVYOMFXPTDP-QFIPXVFZSA-N 2 0 424.589 3.861 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000541476767 1012246496 /nfs/dbraw/zinc/24/64/96/1012246496.db2.gz JONCVIFEQUYBPJ-OFAXGOBFSA-N 2 0 414.594 3.537 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000541476770 1012246913 /nfs/dbraw/zinc/24/69/13/1012246913.db2.gz JONCVIFEQUYBPJ-SXSPYAJSSA-N 2 0 414.594 3.537 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949332 1012251090 /nfs/dbraw/zinc/25/10/90/1012251090.db2.gz YNRBPHICYLLOFQ-SFHVURJKSA-N 2 0 415.603 3.949 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000537018240 1012322339 /nfs/dbraw/zinc/32/23/39/1012322339.db2.gz POIDSTNQEVAPJZ-FUHIMQAGSA-N 2 0 417.500 3.718 20 0 HHADRP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578534 1012369315 /nfs/dbraw/zinc/36/93/15/1012369315.db2.gz RHHZWLBHSPAWBE-SFTDATJTSA-N 2 0 402.966 3.842 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000552365595 1012375565 /nfs/dbraw/zinc/37/55/65/1012375565.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 2 0 417.544 3.619 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403566 1012415357 /nfs/dbraw/zinc/41/53/57/1012415357.db2.gz JTYAVWIIIOIGLQ-FKBYEOEOSA-N 2 0 413.512 3.705 20 0 HHADRP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552420893 1012437381 /nfs/dbraw/zinc/43/73/81/1012437381.db2.gz YAOFOFDUAIEQIW-RCZSKKKRSA-N 2 0 419.560 3.913 20 0 HHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000537114981 1012491602 /nfs/dbraw/zinc/49/16/02/1012491602.db2.gz TYFOGDRCQMLQFA-FQEVSTJZSA-N 2 0 415.969 3.536 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@H]1C ZINC000537169369 1012572581 /nfs/dbraw/zinc/57/25/81/1012572581.db2.gz ACDVBRGYPWISSK-OYRHEFFESA-N 2 0 423.601 3.687 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876590 1012573470 /nfs/dbraw/zinc/57/34/70/1012573470.db2.gz MISWDNNKHPEPRD-IYWMVGAKSA-N 2 0 406.640 3.626 20 0 HHADRP CN(C)C1(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)Cc2ccccc2C1 ZINC000537189698 1012602438 /nfs/dbraw/zinc/60/24/38/1012602438.db2.gz ANEYNFXPUMKVHB-HSZRJFAPSA-N 2 0 405.586 3.663 20 0 HHADRP O=C(CCCc1ccc2ccccc2c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000537192405 1012606485 /nfs/dbraw/zinc/60/64/85/1012606485.db2.gz DYDRKIWQOHWKPB-UHFFFAOYSA-N 2 0 416.569 3.886 20 0 HHADRP COc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000537205160 1012626570 /nfs/dbraw/zinc/62/65/70/1012626570.db2.gz WVFJDXJXTQUSOR-OAQYLSRUSA-N 2 0 423.601 3.759 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000523940630 1012674887 /nfs/dbraw/zinc/67/48/87/1012674887.db2.gz SKYGVCJKMGTBBG-FGZHOGPDSA-N 2 0 412.578 3.889 20 0 HHADRP CSC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541916992 1012775376 /nfs/dbraw/zinc/77/53/76/1012775376.db2.gz WNVYBLFLNMGUJU-RBUKOAKNSA-N 2 0 403.558 3.971 20 0 HHADRP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000541918681 1012778251 /nfs/dbraw/zinc/77/82/51/1012778251.db2.gz JKABYYWDWKXXQO-CRAIPNDOSA-N 2 0 404.938 3.775 20 0 HHADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000541928660 1012789241 /nfs/dbraw/zinc/78/92/41/1012789241.db2.gz AZRJDBVARVRCDE-UHFFFAOYSA-N 2 0 419.635 3.535 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000552922580 1012922706 /nfs/dbraw/zinc/92/27/06/1012922706.db2.gz KKOCSKFGSGDKPJ-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000570252250 1072211637 /nfs/dbraw/zinc/21/16/37/1072211637.db2.gz YHIXURGALVITLR-WOLJRWFJSA-N 2 0 424.585 3.783 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857860 1072480779 /nfs/dbraw/zinc/48/07/79/1072480779.db2.gz GERAKGFCKMTQTH-NJDAHSKKSA-N 2 0 400.611 3.564 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000586865181 1072486835 /nfs/dbraw/zinc/48/68/35/1072486835.db2.gz DNSJJRPHKOOCMX-JOCHJYFZSA-N 2 0 412.578 3.874 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869375 1072492417 /nfs/dbraw/zinc/49/24/17/1072492417.db2.gz WREIZRVQQKSGQR-YADHBBJMSA-N 2 0 412.578 3.874 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC001168321658 1072502228 /nfs/dbraw/zinc/50/22/28/1072502228.db2.gz JTRMMVUUTACAGU-UHFFFAOYSA-N 2 0 423.580 3.842 20 0 HHADRP Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168322928 1072503308 /nfs/dbraw/zinc/50/33/08/1072503308.db2.gz JKEUFAXTLAEWOC-YABDQXBESA-N 2 0 412.622 3.917 20 0 HHADRP c1ccc(CN(Cc2ccccc2)C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)COC2)cc1 ZINC001168355966 1072599992 /nfs/dbraw/zinc/59/99/92/1072599992.db2.gz GWZSBQCOTXSIEX-UHFFFAOYSA-N 2 0 419.613 3.922 20 0 HHADRP CC(=O)CCN(CCNC1CC[NH+](CC2CC2)CC1)c1nc2cc(Cl)ccc2o1 ZINC001168363065 1072888051 /nfs/dbraw/zinc/88/80/51/1072888051.db2.gz RZFXCHPWACJBTL-UHFFFAOYSA-N 2 0 418.969 3.731 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000554970668 1073025696 /nfs/dbraw/zinc/02/56/96/1073025696.db2.gz BCWDVSRTKRQAPX-UHFFFAOYSA-N 2 0 411.493 3.882 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654644 1073103439 /nfs/dbraw/zinc/10/34/39/1073103439.db2.gz AUOIKURSQDBRLW-BGYRXZFFSA-N 2 0 413.606 3.632 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C(C)C ZINC000588656448 1073105123 /nfs/dbraw/zinc/10/51/23/1073105123.db2.gz NZEMIPKYWGNINM-NHCUHLMSSA-N 2 0 415.622 3.878 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105205 /nfs/dbraw/zinc/10/52/05/1073105205.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 2 0 415.622 3.880 20 0 HHADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000555209930 1073250323 /nfs/dbraw/zinc/25/03/23/1073250323.db2.gz NZCNTYYYUVQGHC-RTWAWAEBSA-N 2 0 423.601 3.840 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228031 1073273420 /nfs/dbraw/zinc/27/34/20/1073273420.db2.gz TVQONZCHQHWFSI-HGSOSGBHSA-N 2 0 402.579 3.895 20 0 HHADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452359 1073291346 /nfs/dbraw/zinc/29/13/46/1073291346.db2.gz JCUQOVRNHFYGSU-IFMALSPDSA-N 2 0 402.966 3.972 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555335593 1073360770 /nfs/dbraw/zinc/36/07/70/1073360770.db2.gz PYNFJJIFJKXKIH-RTBURBONSA-N 2 0 411.594 3.595 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417712 1073452053 /nfs/dbraw/zinc/45/20/53/1073452053.db2.gz ISYVVWINPRWYRT-CVDCTZTESA-N 2 0 419.585 3.558 20 0 HHADRP C[NH+](C)CC1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000590125944 1073572167 /nfs/dbraw/zinc/57/21/67/1073572167.db2.gz XERHQEOZXLCHDA-QHCPKHFHSA-N 2 0 418.528 3.705 20 0 HHADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000555563969 1073632252 /nfs/dbraw/zinc/63/22/52/1073632252.db2.gz UKMMUCRMEUQMRT-DENIHFKCSA-N 2 0 402.579 3.635 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555612482 1073674784 /nfs/dbraw/zinc/67/47/84/1073674784.db2.gz OJPYOBPRUOHDIZ-QHCPKHFHSA-N 2 0 407.558 3.663 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555629156 1073697153 /nfs/dbraw/zinc/69/71/53/1073697153.db2.gz YCEWVROMXDMTIM-HTAPYJJXSA-N 2 0 407.493 3.557 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000555959415 1074005722 /nfs/dbraw/zinc/00/57/22/1074005722.db2.gz XYINLZGDKNIYRG-GPXOXTDOSA-N 2 0 405.586 3.669 20 0 HHADRP O=C(c1cccc(Br)c1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366732 1074091885 /nfs/dbraw/zinc/09/18/85/1074091885.db2.gz ZCPQNYNPKCUAOR-UHFFFAOYSA-N 2 0 420.395 3.518 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591078486 1074100107 /nfs/dbraw/zinc/10/01/07/1074100107.db2.gz NCLWXFYWRHHVKK-FQEVSTJZSA-N 2 0 401.595 3.792 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000591092150 1074107237 /nfs/dbraw/zinc/10/72/37/1074107237.db2.gz HMXSHCSLIGSPKC-NFBKMPQASA-N 2 0 409.574 3.973 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591447030 1074303015 /nfs/dbraw/zinc/30/30/15/1074303015.db2.gz TZIYZGYSUNSSAP-FQEVSTJZSA-N 2 0 401.595 3.934 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591548549 1074384156 /nfs/dbraw/zinc/38/41/56/1074384156.db2.gz PGXZJSLEURTOEM-NRFANRHFSA-N 2 0 404.986 3.574 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559444 1074408706 /nfs/dbraw/zinc/40/87/06/1074408706.db2.gz OQBUKCIKVBIITG-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000591582126 1074424746 /nfs/dbraw/zinc/42/47/46/1074424746.db2.gz ZSDLBQQFHJBXSO-QHCPKHFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000591590462 1074452706 /nfs/dbraw/zinc/45/27/06/1074452706.db2.gz IOAQJXZFLJPZGA-QHCPKHFHSA-N 2 0 400.611 3.838 20 0 HHADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000760889084 1074522921 /nfs/dbraw/zinc/52/29/21/1074522921.db2.gz YCZHVHCDJYOFGV-VXKWHMMOSA-N 2 0 414.981 3.988 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592490623 1074770071 /nfs/dbraw/zinc/77/00/71/1074770071.db2.gz VWPSFNWHHKZOGH-GOSISDBHSA-N 2 0 407.002 3.583 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000593500114 1075204733 /nfs/dbraw/zinc/20/47/33/1075204733.db2.gz MVZWIMRFCNLXQI-QFIPXVFZSA-N 2 0 410.562 3.803 20 0 HHADRP CN(c1ccccc1CN(CC[NH+](C)C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000574725863 1075312456 /nfs/dbraw/zinc/31/24/56/1075312456.db2.gz JTCDNFGNEOBDTH-UHFFFAOYSA-N 2 0 412.597 3.920 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001168405675 1075362238 /nfs/dbraw/zinc/36/22/38/1075362238.db2.gz ZKXAJHGMELEZSY-LEWJYISDSA-N 2 0 413.606 3.567 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597205399 1075634001 /nfs/dbraw/zinc/63/40/01/1075634001.db2.gz TYPCWQWUYFHPGG-NHCUHLMSSA-N 2 0 402.583 3.760 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597205402 1075634059 /nfs/dbraw/zinc/63/40/59/1075634059.db2.gz TYPCWQWUYFHPGG-SFTDATJTSA-N 2 0 402.583 3.760 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000602277890 1075725868 /nfs/dbraw/zinc/72/58/68/1075725868.db2.gz LXGUSCPZXPVZMR-SFHVURJKSA-N 2 0 418.379 3.967 20 0 HHADRP Clc1ncc2c(c1N1CC[C@@H]3[NH2+]CC[C@@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164410792 718875267 /nfs/dbraw/zinc/87/52/67/718875267.db2.gz HCUWFCJIOAOPAQ-SFTDATJTSA-N 2 0 424.976 3.697 20 0 HHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619696 719011941 /nfs/dbraw/zinc/01/19/41/719011941.db2.gz WVAPIRVRPSVBTR-HTAPYJJXSA-N 2 0 405.970 3.615 20 0 HHADRP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@H]3C2)cc1 ZINC001164621620 719111376 /nfs/dbraw/zinc/11/13/76/719111376.db2.gz AIGUNJJEMLFYBB-VWNXMTODSA-N 2 0 406.574 3.561 20 0 HHADRP Fc1cccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656429 719297155 /nfs/dbraw/zinc/29/71/55/719297155.db2.gz XHKLKXFRCRMWFF-ISKFKSNPSA-N 2 0 410.537 3.866 20 0 HHADRP CCOc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164756909 720888534 /nfs/dbraw/zinc/88/85/34/720888534.db2.gz SCPRYFUZFYMVPH-DHLKQENFSA-N 2 0 422.573 3.630 20 0 HHADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771864 721210062 /nfs/dbraw/zinc/21/00/62/721210062.db2.gz RLEKCFBXZRZMFZ-VXKWHMMOSA-N 2 0 416.573 3.527 20 0 HHADRP C[NH+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]21 ZINC001165020639 721826280 /nfs/dbraw/zinc/82/62/80/721826280.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 2 0 405.590 3.808 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000301386021 970900025 /nfs/dbraw/zinc/90/00/25/970900025.db2.gz CMOPZNSDTCMHFH-UHFFFAOYSA-N 2 0 406.368 3.897 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050875 971476840 /nfs/dbraw/zinc/47/68/40/971476840.db2.gz VCVIKNKCVUJJIM-KNQAVFIVSA-N 2 0 401.501 3.596 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078960 971492163 /nfs/dbraw/zinc/49/21/63/971492163.db2.gz SURYOJTUOKFRSE-VWNXMTODSA-N 2 0 409.549 3.991 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303338571 971640444 /nfs/dbraw/zinc/64/04/44/971640444.db2.gz YBNSQMYREIKABT-JOCHJYFZSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000303451304 971750747 /nfs/dbraw/zinc/75/07/47/971750747.db2.gz IQLHWWTUXUDITK-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488680 971787235 /nfs/dbraw/zinc/78/72/35/971787235.db2.gz RRYOFSCGLHYOMC-FPOVZHCZSA-N 2 0 414.619 3.780 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488656 971787253 /nfs/dbraw/zinc/78/72/53/971787253.db2.gz RRGFFINKCYLYRC-STJMVAOPSA-N 2 0 412.622 3.992 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489756 971788640 /nfs/dbraw/zinc/78/86/40/971788640.db2.gz RXRUYQBJRURVML-UCBGAZFYSA-N 2 0 406.574 3.784 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000303765697 972015544 /nfs/dbraw/zinc/01/55/44/972015544.db2.gz PNYRESSIYWBKCS-UNMCSNQZSA-N 2 0 409.574 3.752 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000537607331 1013147824 /nfs/dbraw/zinc/14/78/24/1013147824.db2.gz WVUQAZCTURQYLG-QFIPXVFZSA-N 2 0 403.517 3.995 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000537622601 1013170956 /nfs/dbraw/zinc/17/09/56/1013170956.db2.gz DKUBGQPSPXSMNS-XMMPIXPASA-N 2 0 415.622 3.769 20 0 HHADRP Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(OCC[NH+](C)C)c1 ZINC000303844287 972381734 /nfs/dbraw/zinc/38/17/34/972381734.db2.gz TVSSHUCVWUVMDV-UHFFFAOYSA-N 2 0 410.562 3.675 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000537660765 1013221807 /nfs/dbraw/zinc/22/18/07/1013221807.db2.gz GPQDMTPKOWGLNV-OALUTQOASA-N 2 0 400.542 3.723 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1OCc1ccccc1 ZINC000553259221 1013225730 /nfs/dbraw/zinc/22/57/30/1013225730.db2.gz FBMMTFALOGGRQF-LJQANCHMSA-N 2 0 407.558 3.659 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678308 1013237278 /nfs/dbraw/zinc/23/72/78/1013237278.db2.gz UAGVFPRXQFLADM-CTNGQTDRSA-N 2 0 406.412 3.927 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C2CCCCC2)n1 ZINC000542302836 1013261574 /nfs/dbraw/zinc/26/15/74/1013261574.db2.gz GEVJISFLWJOYNF-UHFFFAOYSA-N 2 0 423.605 3.583 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015404495 962748549 /nfs/dbraw/zinc/74/85/49/962748549.db2.gz BGOKDGHCTQHKDC-NRFANRHFSA-N 2 0 406.574 3.822 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)s1 ZINC000537843481 1013405178 /nfs/dbraw/zinc/40/51/78/1013405178.db2.gz SEJLORNHNDYZCG-UHFFFAOYSA-N 2 0 406.983 3.651 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843546 1013406534 /nfs/dbraw/zinc/40/65/34/1013406534.db2.gz ADHVXYKWUQUWAQ-VQTJNVASSA-N 2 0 424.589 3.894 20 0 HHADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466079 1013413644 /nfs/dbraw/zinc/41/36/44/1013413644.db2.gz FTSGTHXBKNMJSR-MRXNPFEDSA-N 2 0 411.449 3.824 20 0 HHADRP COc1c(C)cnc(CN2CCC([N@H+](C)C[C@@H](O)CCc3ccccc3)CC2)c1C ZINC000542510065 1013454312 /nfs/dbraw/zinc/45/43/12/1013454312.db2.gz IGYCETNERBBKOX-QHCPKHFHSA-N 2 0 411.590 3.597 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000050136928 964273690 /nfs/dbraw/zinc/27/36/90/964273690.db2.gz UXIHIVSWHVCJIX-LJQANCHMSA-N 2 0 418.607 3.635 20 0 HHADRP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713846 964960338 /nfs/dbraw/zinc/96/03/38/964960338.db2.gz FZLYLTXMNDMRPD-OAQYLSRUSA-N 2 0 417.557 3.812 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969026 1013545962 /nfs/dbraw/zinc/54/59/62/1013545962.db2.gz IQOAYOLLSNPHOK-ZACQAIPSSA-N 2 0 405.974 3.769 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000029656830 965448719 /nfs/dbraw/zinc/44/87/19/965448719.db2.gz LDRSCPMOJMWYQO-QFIPXVFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513421 965712803 /nfs/dbraw/zinc/71/28/03/965712803.db2.gz SOXZGIWGRJBJSM-JOCHJYFZSA-N 2 0 422.617 3.649 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000030664319 965760732 /nfs/dbraw/zinc/76/07/32/965760732.db2.gz GDOKMSAEDGTURF-UHFFFAOYSA-N 2 0 421.564 3.794 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000030919112 965832828 /nfs/dbraw/zinc/83/28/28/965832828.db2.gz NYGJIYSTKBWRSD-UHFFFAOYSA-N 2 0 407.562 3.558 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000031093046 965893306 /nfs/dbraw/zinc/89/33/06/965893306.db2.gz TUKUTMBRPVEJFC-QHCPKHFHSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061142268 966380557 /nfs/dbraw/zinc/38/05/57/966380557.db2.gz BTXMZPUJVDICSU-OAQYLSRUSA-N 2 0 410.562 3.553 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000061498636 966481419 /nfs/dbraw/zinc/48/14/19/966481419.db2.gz CNKLURHFFMRKOC-OAQYLSRUSA-N 2 0 400.611 3.840 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000061551047 966498107 /nfs/dbraw/zinc/49/81/07/966498107.db2.gz NGHQQCCEGXSPFB-UHFFFAOYSA-N 2 0 418.651 3.689 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000061553635 966499164 /nfs/dbraw/zinc/49/91/64/966499164.db2.gz USDYNIUXIOLGNR-OYRHEFFESA-N 2 0 400.611 3.840 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000061795523 966558417 /nfs/dbraw/zinc/55/84/17/966558417.db2.gz OFFCTHAEUDSNRS-QHCPKHFHSA-N 2 0 424.589 3.783 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000062252887 966632225 /nfs/dbraw/zinc/63/22/25/966632225.db2.gz DZQOYDMHMVTMKY-IRXDYDNUSA-N 2 0 410.484 3.870 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000062499841 966692581 /nfs/dbraw/zinc/69/25/81/966692581.db2.gz VGTSZPSLMOSVNJ-CVDCTZTESA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(F)c1 ZINC000062529346 966698457 /nfs/dbraw/zinc/69/84/57/966698457.db2.gz PRBFWYORDXTTPX-JOCHJYFZSA-N 2 0 404.574 3.772 20 0 HHADRP C[C@H]1CCC[C@](CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000063150563 966763964 /nfs/dbraw/zinc/76/39/64/966763964.db2.gz HYPQSBUXADCPEV-CVDCTZTESA-N 2 0 402.652 3.626 20 0 HHADRP CN(CCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784826 1013681101 /nfs/dbraw/zinc/68/11/01/1013681101.db2.gz RCTRJUKKFBQFBB-IIBYNOLFSA-N 2 0 404.917 3.510 20 0 HHADRP CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441661 966858716 /nfs/dbraw/zinc/85/87/16/966858716.db2.gz RFSHETFUGIOPIQ-UHFFFAOYSA-O 2 0 416.636 3.837 20 0 HHADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043111659 966907979 /nfs/dbraw/zinc/90/79/79/966907979.db2.gz IOLQOQYWYNBEMD-UHFFFAOYSA-N 2 0 413.610 3.534 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944219 1013714657 /nfs/dbraw/zinc/71/46/57/1013714657.db2.gz BSAFTAIEFDSPOU-NZQKXSOJSA-N 2 0 412.578 3.654 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000538157859 1013719406 /nfs/dbraw/zinc/71/94/06/1013719406.db2.gz NGWGOAFLAJMTQV-HXUWFJFHSA-N 2 0 400.567 3.501 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000538210226 1013763906 /nfs/dbraw/zinc/76/39/06/1013763906.db2.gz DKWMLQLBKNGIHO-QGZVFWFLSA-N 2 0 416.516 3.786 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000065742574 968620760 /nfs/dbraw/zinc/62/07/60/968620760.db2.gz ZQOVDESDXGEALT-VWLOTQADSA-N 2 0 420.601 3.784 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000065873781 968693632 /nfs/dbraw/zinc/69/36/32/968693632.db2.gz MPNHQPPARUKJMA-SIKLNZKXSA-N 2 0 401.501 3.596 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065938343 968728182 /nfs/dbraw/zinc/72/81/82/968728182.db2.gz DZNWCJBOQLHWOP-UHFFFAOYSA-N 2 0 415.528 3.767 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)c1ccccc1O2 ZINC000538292702 1013828053 /nfs/dbraw/zinc/82/80/53/1013828053.db2.gz ASYHIYNJTBFBJW-QHCPKHFHSA-N 2 0 419.569 3.887 20 0 HHADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027247 968940976 /nfs/dbraw/zinc/94/09/76/968940976.db2.gz IHDQCJOQJJARHA-ZEQRLZLVSA-N 2 0 407.558 3.613 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110153779 969630856 /nfs/dbraw/zinc/63/08/56/969630856.db2.gz FNVRYGICEIRJQR-OAQYLSRUSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152493 969630901 /nfs/dbraw/zinc/63/09/01/969630901.db2.gz LXSOISMOVMSBSX-NQIIRXRSSA-N 2 0 411.512 3.678 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110153777 969631035 /nfs/dbraw/zinc/63/10/35/969631035.db2.gz FNVRYGICEIRJQR-NRFANRHFSA-N 2 0 411.512 3.678 20 0 HHADRP O=C(N1CC[NH+](C2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110165133 969631996 /nfs/dbraw/zinc/63/19/96/969631996.db2.gz PPDGBNVAUFMTIA-OAQYLSRUSA-N 2 0 409.496 3.528 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000110434857 969667575 /nfs/dbraw/zinc/66/75/75/969667575.db2.gz HLHJILOOAZETOR-IAGOWNOFSA-N 2 0 411.384 3.649 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@H](C)O1 ZINC000112664903 969822786 /nfs/dbraw/zinc/82/27/86/969822786.db2.gz JIFVIOJYTQDNKK-CALCHBBNSA-N 2 0 418.969 3.754 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000195719216 969979179 /nfs/dbraw/zinc/97/91/79/969979179.db2.gz BYFQYIGDUPYKSE-IRXDYDNUSA-N 2 0 421.383 3.614 20 0 HHADRP COc1cccc(C[NH+]2CCC(NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000139332951 970029934 /nfs/dbraw/zinc/02/99/34/970029934.db2.gz UXPPBDOBDOFOPP-UHFFFAOYSA-N 2 0 407.558 3.685 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)N1CC[NH+](C)CC1 ZINC000236695146 970156905 /nfs/dbraw/zinc/15/69/05/970156905.db2.gz ARHFLAGKIGZECV-JOCHJYFZSA-N 2 0 416.997 3.676 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000236853096 970180255 /nfs/dbraw/zinc/18/02/55/970180255.db2.gz APEJOVNMDKNHAD-IBGZPJMESA-N 2 0 422.552 3.708 20 0 HHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000236940010 970191035 /nfs/dbraw/zinc/19/10/35/970191035.db2.gz PEESOMRGANPQKB-UHFFFAOYSA-N 2 0 418.029 3.709 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000236981851 970200327 /nfs/dbraw/zinc/20/03/27/970200327.db2.gz VXOXXWBNSCZTOH-QGZVFWFLSA-N 2 0 401.526 3.836 20 0 HHADRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1OCc1ccccn1 ZINC000237071536 970217433 /nfs/dbraw/zinc/21/74/33/970217433.db2.gz GVCTXBNNXAZDAE-UHFFFAOYSA-N 2 0 422.617 3.926 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000237100688 970222349 /nfs/dbraw/zinc/22/23/49/970222349.db2.gz DCENNSYWXKJSOZ-UHFFFAOYSA-N 2 0 403.452 3.623 20 0 HHADRP COc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237148052 970231981 /nfs/dbraw/zinc/23/19/81/970231981.db2.gz HIUICNAGEFUGQR-SFHVURJKSA-N 2 0 417.981 3.653 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237169564 970235125 /nfs/dbraw/zinc/23/51/25/970235125.db2.gz MEYXPRNGYFVFCC-UHFFFAOYSA-N 2 0 417.601 3.903 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000237172848 970236021 /nfs/dbraw/zinc/23/60/21/970236021.db2.gz FGCYSIYCUPGUSL-UHFFFAOYSA-N 2 0 413.871 3.940 20 0 HHADRP C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000237203718 970240333 /nfs/dbraw/zinc/24/03/33/970240333.db2.gz HKEUGGACXQRKRS-UHFFFAOYSA-N 2 0 417.347 3.691 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000145628745 970267385 /nfs/dbraw/zinc/26/73/85/970267385.db2.gz JIOMLSVWKBTMHI-UHFFFAOYSA-N 2 0 402.652 3.579 20 0 HHADRP C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)CN1CC[NH+](C)CC1 ZINC000237415440 970281102 /nfs/dbraw/zinc/28/11/02/970281102.db2.gz NPEDFEAECYPJJB-SFHVURJKSA-N 2 0 414.981 3.565 20 0 HHADRP COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000237431571 970284719 /nfs/dbraw/zinc/28/47/19/970284719.db2.gz AIWYQQRFAVVJIA-UHFFFAOYSA-N 2 0 423.479 3.764 20 0 HHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237502782 970302763 /nfs/dbraw/zinc/30/27/63/970302763.db2.gz YGKATMYKXIHCOD-FQEVSTJZSA-N 2 0 421.564 3.712 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000554548744 1013975656 /nfs/dbraw/zinc/97/56/56/1013975656.db2.gz HPZPOVPVKMSBML-KRWDZBQOSA-N 2 0 423.026 3.757 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996156 970377346 /nfs/dbraw/zinc/37/73/46/970377346.db2.gz XFLGSDMQDAZRGA-QFBILLFUSA-N 2 0 406.621 3.624 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237831527 970377505 /nfs/dbraw/zinc/37/75/05/970377505.db2.gz FMCRZZDXFWSDSH-QFIPXVFZSA-N 2 0 411.977 3.915 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1)c1ccc(Cl)cc1 ZINC000237977686 970409086 /nfs/dbraw/zinc/40/90/86/970409086.db2.gz SNLBMDRTLRZJMP-JOCHJYFZSA-N 2 0 415.965 3.919 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000150219008 970435784 /nfs/dbraw/zinc/43/57/84/970435784.db2.gz QJLXZSJGPZELAN-UHFFFAOYSA-N 2 0 400.611 3.660 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000195547994 970505238 /nfs/dbraw/zinc/50/52/38/970505238.db2.gz UUVXLHHNFWSVEM-HXUWFJFHSA-N 2 0 404.624 3.695 20 0 HHADRP Cc1c2cc(Br)ccc2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000253592422 970565008 /nfs/dbraw/zinc/56/50/08/970565008.db2.gz ZIUGOHVVVSIDRO-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725780 972618747 /nfs/dbraw/zinc/61/87/47/972618747.db2.gz NPCMUGMQGUTCNW-BAGYTPMASA-N 2 0 417.594 3.513 20 0 HHADRP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725789 972619098 /nfs/dbraw/zinc/61/90/98/972619098.db2.gz NPCMUGMQGUTCNW-HJNYFJLDSA-N 2 0 417.594 3.513 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000409573807 973022585 /nfs/dbraw/zinc/02/25/85/973022585.db2.gz GZWUVLMFYGRJAV-RUZDIDTESA-N 2 0 422.617 3.570 20 0 HHADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409621037 973067552 /nfs/dbraw/zinc/06/75/52/973067552.db2.gz KQNBLBFQXXMOPZ-KRWDZBQOSA-N 2 0 420.479 3.532 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000410313437 973857404 /nfs/dbraw/zinc/85/74/04/973857404.db2.gz PICBBAUDPYMXGX-VWLOTQADSA-N 2 0 422.617 3.858 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000410333546 973910699 /nfs/dbraw/zinc/91/06/99/973910699.db2.gz SLFIKGFNHVIQJK-VWLOTQADSA-N 2 0 420.601 3.923 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000410346725 973933003 /nfs/dbraw/zinc/93/30/03/973933003.db2.gz WYCBKVPXHUPZRU-UHFFFAOYSA-N 2 0 400.611 3.838 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)CCC(F)(F)F ZINC000425993082 974106141 /nfs/dbraw/zinc/10/61/41/974106141.db2.gz AIHAADAYDBLMDC-QZTJIDSGSA-N 2 0 406.537 3.557 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426019610 974139664 /nfs/dbraw/zinc/13/96/64/974139664.db2.gz FTPUQGVKQMEWMB-XXBNENTESA-N 2 0 400.998 3.882 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000426162829 974276102 /nfs/dbraw/zinc/27/61/02/974276102.db2.gz TUOPTUYDXWJBEI-UHFFFAOYSA-N 2 0 400.567 3.547 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000426409403 974436123 /nfs/dbraw/zinc/43/61/23/974436123.db2.gz GZDUNDIDQGACIJ-NZQKXSOJSA-N 2 0 411.590 3.690 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426770179 974646963 /nfs/dbraw/zinc/64/69/63/974646963.db2.gz PRJPPFMMLDEPEI-KDURUIRLSA-N 2 0 419.635 3.948 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426770181 974647420 /nfs/dbraw/zinc/64/74/20/974647420.db2.gz PRJPPFMMLDEPEI-RTBURBONSA-N 2 0 419.635 3.948 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426793892 974665280 /nfs/dbraw/zinc/66/52/80/974665280.db2.gz PQMIAEVAQAXLCV-ZGXWSNOMSA-N 2 0 419.585 3.603 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426820673 974685933 /nfs/dbraw/zinc/68/59/33/974685933.db2.gz MKROIMGIWPRQAY-QRVBRYPASA-N 2 0 422.013 3.556 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830484 974695827 /nfs/dbraw/zinc/69/58/27/974695827.db2.gz YMBRBDHFIOOISK-VSKRKVRLSA-N 2 0 415.622 3.553 20 0 HHADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427216481 974984478 /nfs/dbraw/zinc/98/44/78/974984478.db2.gz DRTVJMQJUJIUEI-UHFFFAOYSA-N 2 0 415.578 3.525 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428270326 975584536 /nfs/dbraw/zinc/58/45/36/975584536.db2.gz MYNDNPOCCQTXAH-JRGCBEDISA-N 2 0 400.592 3.703 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000428273335 975588125 /nfs/dbraw/zinc/58/81/25/975588125.db2.gz ZTRSPCYDEJKXMZ-ZJSXRUAMSA-N 2 0 408.590 3.861 20 0 HHADRP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532982 975827811 /nfs/dbraw/zinc/82/78/11/975827811.db2.gz HXFWAWOTIFXUOU-NLFFAJNJSA-N 2 0 421.585 3.535 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428638248 975939703 /nfs/dbraw/zinc/93/97/03/975939703.db2.gz FVYBAYNKDMDTLY-XPNTWCBSSA-N 2 0 400.611 3.993 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428872301 976161846 /nfs/dbraw/zinc/16/18/46/976161846.db2.gz MKPBEYZBNKZIIW-YSZBQJHXSA-N 2 0 412.553 3.781 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428963454 976251335 /nfs/dbraw/zinc/25/13/35/976251335.db2.gz MSUXRVPQIUYANQ-AREMUKBSSA-N 2 0 423.601 3.628 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429022794 976303938 /nfs/dbraw/zinc/30/39/38/976303938.db2.gz AACAXYBYUJGEER-UWJYYQICSA-N 2 0 422.976 3.646 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000429222413 976516469 /nfs/dbraw/zinc/51/64/69/976516469.db2.gz VKLIHPXNFYTFRP-HXUWFJFHSA-N 2 0 414.594 3.637 20 0 HHADRP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712129 /nfs/dbraw/zinc/71/21/29/976712129.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 2 0 419.613 3.778 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744921 /nfs/dbraw/zinc/74/49/21/976744921.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 2 0 414.638 3.833 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745159 /nfs/dbraw/zinc/74/51/59/976745159.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 2 0 414.638 3.833 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000429495474 976753166 /nfs/dbraw/zinc/75/31/66/976753166.db2.gz WGWKQMNTWNGMAN-SZPZYZBQSA-N 2 0 422.658 3.564 20 0 HHADRP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430107658 977322617 /nfs/dbraw/zinc/32/26/17/977322617.db2.gz SMQARQOIPWAVLG-SANMLTNESA-N 2 0 421.585 3.534 20 0 HHADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914107 977882978 /nfs/dbraw/zinc/88/29/78/977882978.db2.gz IBXOAJFQYBVICF-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430917070 977884376 /nfs/dbraw/zinc/88/43/76/977884376.db2.gz JCSQRBXXUWIYMY-GOSISDBHSA-N 2 0 421.029 3.795 20 0 HHADRP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430936703 977900583 /nfs/dbraw/zinc/90/05/83/977900583.db2.gz WAIKMRBORUVMPY-UHFFFAOYSA-N 2 0 421.029 3.715 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000431060991 977991104 /nfs/dbraw/zinc/99/11/04/977991104.db2.gz UQFAIZYBEWCXJX-UHFFFAOYSA-N 2 0 415.626 3.708 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000431074115 978004770 /nfs/dbraw/zinc/00/47/70/978004770.db2.gz QATMBKKLVXUTBK-NFBKMPQASA-N 2 0 415.626 3.769 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322757 978207628 /nfs/dbraw/zinc/20/76/28/978207628.db2.gz YAEIUTZBPVZTKC-XUZZJYLKSA-N 2 0 420.601 3.611 20 0 HHADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431368444 978242774 /nfs/dbraw/zinc/24/27/74/978242774.db2.gz HEHOSBIYCWVHEK-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431676751 978429811 /nfs/dbraw/zinc/42/98/11/978429811.db2.gz AIMYUDKFQAZJCS-FGCOXFRFSA-N 2 0 408.590 3.512 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432252807 978730379 /nfs/dbraw/zinc/73/03/79/978730379.db2.gz JXUZWOKRTRJBKZ-UHFFFAOYSA-N 2 0 404.357 3.849 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000432688854 978937433 /nfs/dbraw/zinc/93/74/33/978937433.db2.gz FWHILSQULUZYOB-LJQANCHMSA-N 2 0 402.583 3.745 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000432805982 978980052 /nfs/dbraw/zinc/98/00/52/978980052.db2.gz RBEWJRUHHKOINA-QFIPXVFZSA-N 2 0 409.578 3.937 20 0 HHADRP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@@H]2O)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854932 978993071 /nfs/dbraw/zinc/99/30/71/978993071.db2.gz SYZMCABGHFYEJR-TWVZQSRDSA-N 2 0 418.622 3.661 20 0 HHADRP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433125349 979086288 /nfs/dbraw/zinc/08/62/88/979086288.db2.gz JMSVDUMRINIFTE-HXUWFJFHSA-N 2 0 420.557 3.711 20 0 HHADRP COc1ccccc1N1CC[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433172513 979116595 /nfs/dbraw/zinc/11/65/95/979116595.db2.gz CROCHBRBARPQQW-QHCPKHFHSA-N 2 0 419.569 3.789 20 0 HHADRP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H](C)O)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203439 979139138 /nfs/dbraw/zinc/13/91/38/979139138.db2.gz XOAMQSBXMMFFRC-WNXIRNOKSA-N 2 0 418.622 3.946 20 0 HHADRP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212662 979146339 /nfs/dbraw/zinc/14/63/39/979146339.db2.gz KXVVQMBZDYMQEW-UHFFFAOYSA-N 2 0 405.586 3.642 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000433357817 979255315 /nfs/dbraw/zinc/25/53/15/979255315.db2.gz ZFYXGTLHAFFMJL-UHFFFAOYSA-N 2 0 415.965 3.675 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000433395617 979273897 /nfs/dbraw/zinc/27/38/97/979273897.db2.gz AUYKDJDPPUAQGX-WPYKKVEZSA-N 2 0 421.601 3.696 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000433892951 979656328 /nfs/dbraw/zinc/65/63/28/979656328.db2.gz IEALFNXOZSVOAQ-GOSISDBHSA-N 2 0 416.570 3.604 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109170 /nfs/dbraw/zinc/10/91/70/980109170.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 2 0 410.606 3.701 20 0 HHADRP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435284960 980759883 /nfs/dbraw/zinc/75/98/83/980759883.db2.gz MKLURFYXYUEWQZ-IFMALSPDSA-N 2 0 409.578 3.842 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436270446 981278694 /nfs/dbraw/zinc/27/86/94/981278694.db2.gz APSGAVNUXKHZLH-WHSGIHJSSA-N 2 0 411.590 3.942 20 0 HHADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)n2)ccc1O ZINC000436742531 981541332 /nfs/dbraw/zinc/54/13/32/981541332.db2.gz WMRJOFJTIYPCGY-QRVBRYPASA-N 2 0 414.550 3.626 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208982 981622962 /nfs/dbraw/zinc/62/29/62/981622962.db2.gz MTAWTQIHVSFXRC-ISKFKSNPSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210964 981624829 /nfs/dbraw/zinc/62/48/29/981624829.db2.gz DVAOOSSXJHFKGD-MZYLBHOOSA-N 2 0 400.611 3.707 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448217959 981632452 /nfs/dbraw/zinc/63/24/52/981632452.db2.gz QXYJNPKXUKCHLJ-XUZZJYLKSA-N 2 0 410.606 3.618 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000448246270 981651785 /nfs/dbraw/zinc/65/17/85/981651785.db2.gz AROFCJXHVJJOLD-UHFFFAOYSA-N 2 0 418.379 3.700 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043793 981714284 /nfs/dbraw/zinc/71/42/84/981714284.db2.gz WCSJKJWLPYMDCF-DQEYMECFSA-N 2 0 405.586 3.879 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437048412 981718930 /nfs/dbraw/zinc/71/89/30/981718930.db2.gz ZGEGJYPRLSJQJL-XMMPIXPASA-N 2 0 405.586 3.879 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@H](C)C1 ZINC000448468724 981807232 /nfs/dbraw/zinc/80/72/32/981807232.db2.gz WGZVCPJFWVKEAG-MZKRTTBSSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H](C)C1 ZINC000448523544 981851482 /nfs/dbraw/zinc/85/14/82/981851482.db2.gz YYQAJGSROMINFS-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CSC1(CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC[NH+](C)CC1 ZINC000460220331 981996325 /nfs/dbraw/zinc/99/63/25/981996325.db2.gz GRVFYLOIRXGGNG-IBGZPJMESA-N 2 0 418.651 3.777 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460319284 982097191 /nfs/dbraw/zinc/09/71/91/982097191.db2.gz NRWAHSAMDZCSLW-BJKOFHAPSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437548212 982178175 /nfs/dbraw/zinc/17/81/75/982178175.db2.gz KQTTXQBPHXUMJQ-AUSIDOKSSA-N 2 0 413.610 3.703 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347094 /nfs/dbraw/zinc/34/70/94/982347094.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 2 0 418.585 3.595 20 0 HHADRP C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437787958 982357478 /nfs/dbraw/zinc/35/74/78/982357478.db2.gz SHPZVOPZHAKUCY-LNLGZHKDSA-N 2 0 409.574 3.836 20 0 HHADRP Cc1ccc2cc(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)ccc2n1 ZINC000438122325 982598852 /nfs/dbraw/zinc/59/88/52/982598852.db2.gz BIOHWGIBSOXXQK-UHFFFAOYSA-N 2 0 404.558 3.806 20 0 HHADRP Cc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186259 982640037 /nfs/dbraw/zinc/64/00/37/982640037.db2.gz GLFPWTKPXWEISO-HSZRJFAPSA-N 2 0 402.542 3.530 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987513 982709849 /nfs/dbraw/zinc/70/98/49/982709849.db2.gz AIHQFEXPNMJAMX-RBUKOAKNSA-N 2 0 400.394 3.829 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438840723 983108850 /nfs/dbraw/zinc/10/88/50/983108850.db2.gz NYPHORJSHDFZRB-ZCNNSNEGSA-N 2 0 415.626 3.663 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977046 983190167 /nfs/dbraw/zinc/19/01/67/983190167.db2.gz SENSRXLBPBHSOY-GBXCKJPGSA-N 2 0 421.589 3.743 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000438993363 983199803 /nfs/dbraw/zinc/19/98/03/983199803.db2.gz JXEQTBKGHVFOMQ-GOSISDBHSA-N 2 0 411.546 3.979 20 0 HHADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000439229570 983319662 /nfs/dbraw/zinc/31/96/62/983319662.db2.gz NNDHNRAZKGMBTR-UGKGYDQZSA-N 2 0 401.595 3.559 20 0 HHADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000439229567 983319774 /nfs/dbraw/zinc/31/97/74/983319774.db2.gz NNDHNRAZKGMBTR-DENIHFKCSA-N 2 0 401.595 3.559 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230500 983320690 /nfs/dbraw/zinc/32/06/90/983320690.db2.gz SAOLMVHWKIZKHE-AZUAARDMSA-N 2 0 400.592 3.657 20 0 HHADRP Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000439457694 983419094 /nfs/dbraw/zinc/41/90/94/983419094.db2.gz RCTRUMLBDLNOLA-JOCHJYFZSA-N 2 0 424.593 3.588 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000440104607 983646147 /nfs/dbraw/zinc/64/61/47/983646147.db2.gz MOUDQXOZYJQQPX-JOCHJYFZSA-N 2 0 412.578 3.847 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440180055 983671943 /nfs/dbraw/zinc/67/19/43/983671943.db2.gz QQNPSJXFUMDECP-NWSQWKLXSA-N 2 0 415.626 3.807 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185193 983674321 /nfs/dbraw/zinc/67/43/21/983674321.db2.gz JLOVRXCEPLEBFF-GBXCKJPGSA-N 2 0 421.589 3.523 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](c2ccccc2)C1 ZINC000440326785 983722789 /nfs/dbraw/zinc/72/27/89/983722789.db2.gz LWJJIUAZEXPXJG-JOCHJYFZSA-N 2 0 407.587 3.674 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252896 984139736 /nfs/dbraw/zinc/13/97/36/984139736.db2.gz GZYDKDGXHWNTGZ-KBRIMQKVSA-N 2 0 400.350 3.506 20 0 HHADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000441346050 984199691 /nfs/dbraw/zinc/19/96/91/984199691.db2.gz MPMHRIHVXPMAQE-VWLOTQADSA-N 2 0 420.601 3.802 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874712 985254637 /nfs/dbraw/zinc/25/46/37/985254637.db2.gz NNUXQVOIJSBYLZ-KSSFIOAISA-N 2 0 412.441 3.848 20 0 HHADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462510647 985461887 /nfs/dbraw/zinc/46/18/87/985461887.db2.gz LQKBZABQCQYTLN-TZIWHRDSSA-N 2 0 418.651 3.681 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000462746906 985687858 /nfs/dbraw/zinc/68/78/58/985687858.db2.gz VJVKFEVWDKRXTF-WWNPGLIZSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748834 985690088 /nfs/dbraw/zinc/69/00/88/985690088.db2.gz FSVRESFFKVSXHG-IRLDBZIGSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750037 985691265 /nfs/dbraw/zinc/69/12/65/985691265.db2.gz LQQHJSJVTZDQQI-BJKOFHAPSA-N 2 0 412.622 3.662 20 0 HHADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000468060800 985718787 /nfs/dbraw/zinc/71/87/87/985718787.db2.gz SRIXPSLLVNFFJJ-RJGXRXQPSA-N 2 0 409.574 3.988 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccc(F)cc2)CC1 ZINC000468071808 985729370 /nfs/dbraw/zinc/72/93/70/985729370.db2.gz RCBKEGPVABGBSN-RUZDIDTESA-N 3 0 418.645 3.995 20 0 HHADRP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1OC ZINC000443593823 985769769 /nfs/dbraw/zinc/76/97/69/985769769.db2.gz QBLLWKLIQJADDQ-GOSISDBHSA-N 2 0 403.567 3.619 20 0 HHADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596226 985773168 /nfs/dbraw/zinc/77/31/68/985773168.db2.gz VUEAUDUSLKLSOM-HXUWFJFHSA-N 2 0 410.606 3.803 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000468334744 986031223 /nfs/dbraw/zinc/03/12/23/986031223.db2.gz WBQFWEBOKPXXJR-UHFFFAOYSA-N 2 0 409.018 3.925 20 0 HHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000463112432 986075762 /nfs/dbraw/zinc/07/57/62/986075762.db2.gz UNPYMNVBUVRWMD-AIZNXBIQSA-N 2 0 409.622 3.758 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000463238516 986206523 /nfs/dbraw/zinc/20/65/23/986206523.db2.gz QXLBKLRGTQGOSW-IBGZPJMESA-N 2 0 406.492 3.552 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000444033634 986229648 /nfs/dbraw/zinc/22/96/48/986229648.db2.gz GPOFRUDVIUZFMR-UHFFFAOYSA-N 2 0 410.006 3.533 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000444460978 986642676 /nfs/dbraw/zinc/64/26/76/986642676.db2.gz MXMNFEWSPVMGET-XMMPIXPASA-N 2 0 407.558 3.637 20 0 HHADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469130908 986850498 /nfs/dbraw/zinc/85/04/98/986850498.db2.gz UBPOARZCRTVZDV-FAXKSRBJSA-N 2 0 403.368 3.819 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469278859 986998163 /nfs/dbraw/zinc/99/81/63/986998163.db2.gz VFQYJCPTJAIKLD-IBGZPJMESA-N 2 0 414.516 3.653 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2)CC1 ZINC000469696421 987353699 /nfs/dbraw/zinc/35/36/99/987353699.db2.gz UXRXEZOQTSZFKL-QFIPXVFZSA-N 2 0 420.601 3.565 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469776783 987426500 /nfs/dbraw/zinc/42/65/00/987426500.db2.gz SMDSYGRFOIENJT-JKSBSHDWSA-N 2 0 405.533 3.698 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)NCc1ccc(Cl)s1 ZINC000469785840 987431404 /nfs/dbraw/zinc/43/14/04/987431404.db2.gz FUYZYAXSDSUDNM-HZPDHXFCSA-N 2 0 405.995 3.764 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470025730 987636641 /nfs/dbraw/zinc/63/66/41/987636641.db2.gz ZQVUVWCUHLVDJU-LJQANCHMSA-N 2 0 414.516 3.728 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000463964084 988076519 /nfs/dbraw/zinc/07/65/19/988076519.db2.gz LIGDJGSKVGUUJB-YADHBBJMSA-N 2 0 410.562 3.580 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccs1 ZINC000463972359 988084652 /nfs/dbraw/zinc/08/46/52/988084652.db2.gz VYWKAIUOSXLMSK-MDZRGWNJSA-N 2 0 406.621 3.795 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062958 988185349 /nfs/dbraw/zinc/18/53/49/988185349.db2.gz SKSKFGZXKVALQL-YTFSRNRJSA-N 2 0 416.606 3.861 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279398 988234600 /nfs/dbraw/zinc/23/46/00/988234600.db2.gz KKWHRVNOQXTDJZ-QFBILLFUSA-N 2 0 414.516 3.681 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470282843 988238653 /nfs/dbraw/zinc/23/86/53/988238653.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 2 0 400.611 3.516 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@@H](C)C1 ZINC000470287093 988243916 /nfs/dbraw/zinc/24/39/16/988243916.db2.gz YBNYAECXPMJPBS-ZYSHUDEJSA-N 2 0 414.516 3.680 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674341 988697739 /nfs/dbraw/zinc/69/77/39/988697739.db2.gz LEPHVDHKGVVDPB-VWLOTQADSA-N 2 0 420.601 3.565 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733274 988766865 /nfs/dbraw/zinc/76/68/65/988766865.db2.gz QPMQQRLVRWOVKC-ISKFKSNPSA-N 2 0 412.622 3.833 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470744485 988783898 /nfs/dbraw/zinc/78/38/98/988783898.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470749461 988790492 /nfs/dbraw/zinc/79/04/92/988790492.db2.gz NZUHEJPXRHNTRW-YPAWHYETSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752809 988794855 /nfs/dbraw/zinc/79/48/55/988794855.db2.gz BOMRCQRQXCTCRW-HYBUGGRVSA-N 2 0 412.622 3.934 20 0 HHADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000464670414 988867782 /nfs/dbraw/zinc/86/77/82/988867782.db2.gz MNAKUFGULQQFHJ-CTNGQTDRSA-N 2 0 411.512 3.631 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470886612 988958817 /nfs/dbraw/zinc/95/88/17/988958817.db2.gz UCQWYVCSRRNHTF-FQEVSTJZSA-N 2 0 419.013 3.679 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000464956215 989254435 /nfs/dbraw/zinc/25/44/35/989254435.db2.gz WWGGVCZTZNYDQT-NFBKMPQASA-N 2 0 400.611 3.838 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471381992 989560636 /nfs/dbraw/zinc/56/06/36/989560636.db2.gz DRNSYEQKCLZVKM-QHCPKHFHSA-N 2 0 405.586 3.805 20 0 HHADRP C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431591 989776263 /nfs/dbraw/zinc/77/62/63/989776263.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 2 0 406.574 3.567 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471589517 989793251 /nfs/dbraw/zinc/79/32/51/989793251.db2.gz GNBYJOGOELVPQH-PLQXJYEYSA-N 2 0 418.585 3.556 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000471611246 989815839 /nfs/dbraw/zinc/81/58/39/989815839.db2.gz BNKBOZGZRGKXMB-ZIAGYGMSSA-N 2 0 407.452 3.566 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000471683398 989887387 /nfs/dbraw/zinc/88/73/87/989887387.db2.gz UAALANZSXBTTMO-JOCHJYFZSA-N 2 0 424.564 3.611 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465532387 989891836 /nfs/dbraw/zinc/89/18/36/989891836.db2.gz FGMLYTZTANGUAP-ZVDOUQERSA-N 2 0 406.640 3.941 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000465548166 989911033 /nfs/dbraw/zinc/91/10/33/989911033.db2.gz UEQMCSCOJCGKOX-NRFANRHFSA-N 2 0 407.002 3.898 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713552 989911907 /nfs/dbraw/zinc/91/19/07/989911907.db2.gz FYPCQZDZMFGVRQ-GIESBBMHSA-N 2 0 418.548 3.601 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729379 989924827 /nfs/dbraw/zinc/92/48/27/989924827.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 2 0 406.574 3.643 20 0 HHADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465587824 989963171 /nfs/dbraw/zinc/96/31/71/989963171.db2.gz APIVIEQUSRDOIR-JOCHJYFZSA-N 2 0 419.013 3.868 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000465676575 990062362 /nfs/dbraw/zinc/06/23/62/990062362.db2.gz ABQODXUZCRXDIO-FYYLOGMGSA-N 2 0 400.611 3.662 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000465694790 990080964 /nfs/dbraw/zinc/08/09/64/990080964.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465700456 990086813 /nfs/dbraw/zinc/08/68/13/990086813.db2.gz YGIFPGBONAUUQT-CVDCTZTESA-N 2 0 412.553 3.734 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816775 990199652 /nfs/dbraw/zinc/19/96/52/990199652.db2.gz QOMPIPPTCAWZJW-IRLDBZIGSA-N 2 0 412.578 3.969 20 0 HHADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2c1C ZINC000472051335 990217561 /nfs/dbraw/zinc/21/75/61/990217561.db2.gz FNONJJKTWACAPN-UHFFFAOYSA-N 2 0 404.558 3.900 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000465895530 991021686 /nfs/dbraw/zinc/02/16/86/991021686.db2.gz BZGVESIGMTZLEJ-QNWVGRARSA-N 2 0 400.611 3.803 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932753 991068478 /nfs/dbraw/zinc/06/84/78/991068478.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 2 0 420.601 3.815 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000465939981 991077843 /nfs/dbraw/zinc/07/78/43/991077843.db2.gz JLEITZLMIZCFHI-HSZRJFAPSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000465952536 991091325 /nfs/dbraw/zinc/09/13/25/991091325.db2.gz KSXOBXWWAKQCJD-JOCHJYFZSA-N 2 0 400.611 3.949 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228575 991450972 /nfs/dbraw/zinc/45/09/72/991450972.db2.gz WFAJGKJZHKDHBG-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000466256060 991498682 /nfs/dbraw/zinc/49/86/82/991498682.db2.gz SVXKPQJHVNQDGM-HSZRJFAPSA-N 2 0 410.562 3.907 20 0 HHADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466345383 991604271 /nfs/dbraw/zinc/60/42/71/991604271.db2.gz YZOIJKJMFIKVJX-UHFFFAOYSA-N 2 0 409.500 3.833 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466530739 991828976 /nfs/dbraw/zinc/82/89/76/991828976.db2.gz RRIJTJXXWDPZBD-QPPBQGQZSA-N 2 0 420.601 3.955 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000466720742 992032301 /nfs/dbraw/zinc/03/23/01/992032301.db2.gz BJPPLZJTYPENTI-QZTJIDSGSA-N 2 0 410.002 3.729 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466783725 992091413 /nfs/dbraw/zinc/09/14/13/992091413.db2.gz ZQVQVALMZYVVKJ-GBXCKJPGSA-N 2 0 408.590 3.643 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466796705 992103323 /nfs/dbraw/zinc/10/33/23/992103323.db2.gz RFBAWUKNMMPOAO-HYBUGGRVSA-N 2 0 408.590 3.501 20 0 HHADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000466925623 992237871 /nfs/dbraw/zinc/23/78/71/992237871.db2.gz OVFQSSWUMQPZEV-REWPJTCUSA-N 2 0 401.595 3.609 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000467161085 992480146 /nfs/dbraw/zinc/48/01/46/992480146.db2.gz GQEIEFOWABGGDT-VQTJNVASSA-N 2 0 401.595 3.566 20 0 HHADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000467241988 992563760 /nfs/dbraw/zinc/56/37/60/992563760.db2.gz KCXCFPYBFDDRPM-UHFFFAOYSA-N 2 0 420.601 3.501 20 0 HHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000467360426 992678926 /nfs/dbraw/zinc/67/89/26/992678926.db2.gz UPFUECOXDAUHBA-MRXNPFEDSA-N 2 0 407.480 3.718 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(Br)c3)cn2)CC1 ZINC000467837776 993069066 /nfs/dbraw/zinc/06/90/66/993069066.db2.gz BNTFJFFZUZNPRB-INIZCTEOSA-N 2 0 403.368 3.837 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472114739 993165938 /nfs/dbraw/zinc/16/59/38/993165938.db2.gz HHYZANCUXCQODG-GPUOULLFSA-N 2 0 420.601 3.718 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000472309409 993321619 /nfs/dbraw/zinc/32/16/19/993321619.db2.gz IIHUAFQFEFWKJC-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000472336246 993344276 /nfs/dbraw/zinc/34/42/76/993344276.db2.gz MCICTZYMVBSAEY-PKTZIBPZSA-N 2 0 410.562 3.974 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000472336247 993344509 /nfs/dbraw/zinc/34/45/09/993344509.db2.gz MCICTZYMVBSAEY-XZOQPEGZSA-N 2 0 410.562 3.974 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366131 993363147 /nfs/dbraw/zinc/36/31/47/993363147.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 2 0 420.601 3.815 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000472369957 993367245 /nfs/dbraw/zinc/36/72/45/993367245.db2.gz SWNMMIDMWNITQM-XMMPIXPASA-N 2 0 408.590 3.590 20 0 HHADRP CCCN(CC[NH+](CC)CC)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472457615 993459893 /nfs/dbraw/zinc/45/98/93/993459893.db2.gz SJQQODWDRGSTAC-UHFFFAOYSA-N 2 0 406.537 3.555 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Br)s3)cn2)CC1 ZINC000480723081 993590723 /nfs/dbraw/zinc/59/07/23/993590723.db2.gz YIXSHTRJRMJNFK-CQSZACIVSA-N 2 0 409.397 3.898 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC(F)F)c(OC)c3)cn2)CC1 ZINC000480722504 993590742 /nfs/dbraw/zinc/59/07/42/993590742.db2.gz XIYPOJXAOCGXLN-INIZCTEOSA-N 2 0 420.504 3.684 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725895 993594146 /nfs/dbraw/zinc/59/41/46/993594146.db2.gz ZXHSBYKFDBEIGW-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(Cl)c(OC)cc3OC)cn2)CC1 ZINC000480736393 993602454 /nfs/dbraw/zinc/60/24/54/993602454.db2.gz YTWXHWQHEFDRHZ-INIZCTEOSA-N 2 0 418.969 3.745 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(OC(F)(F)F)c3)cn2)CC1 ZINC000480739174 993605911 /nfs/dbraw/zinc/60/59/11/993605911.db2.gz MALFSFJCNFPNCS-MRXNPFEDSA-N 2 0 408.468 3.973 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1NC(C)=O ZINC000480779470 993646160 /nfs/dbraw/zinc/64/61/60/993646160.db2.gz LDOXMKHIEXZRKA-NTKDMRAZSA-N 2 0 424.589 3.683 20 0 HHADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000481024412 993867834 /nfs/dbraw/zinc/86/78/34/993867834.db2.gz YNAAXNGRXNRNNN-YADARESESA-N 2 0 424.564 3.752 20 0 HHADRP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481058371 993899260 /nfs/dbraw/zinc/89/92/60/993899260.db2.gz OBHJWYMYANADEL-QGZVFWFLSA-N 2 0 401.551 3.719 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000481292704 994107401 /nfs/dbraw/zinc/10/74/01/994107401.db2.gz FQFBGYDBMMSHEM-LJQANCHMSA-N 2 0 415.603 3.919 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329573 994148823 /nfs/dbraw/zinc/14/88/23/994148823.db2.gz IBPZUPNOUDBTCP-CVDCTZTESA-N 2 0 409.578 3.641 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331361 994149887 /nfs/dbraw/zinc/14/98/87/994149887.db2.gz PFDAAOAQHRJVIA-RDPSFJRHSA-N 2 0 423.605 3.950 20 0 HHADRP CC(C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000481348067 994170959 /nfs/dbraw/zinc/17/09/59/994170959.db2.gz PVWRJLLPNKCHKN-PKTZIBPZSA-N 2 0 408.590 3.836 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535555 994366002 /nfs/dbraw/zinc/36/60/02/994366002.db2.gz QGIYVQBRNGCEGK-NHCUHLMSSA-N 2 0 411.590 3.699 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473530029 994387690 /nfs/dbraw/zinc/38/76/90/994387690.db2.gz QLQWPBIOJVXTFX-LSJNQWAISA-N 2 0 401.517 3.563 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000473562307 994427558 /nfs/dbraw/zinc/42/75/58/994427558.db2.gz PTQIDLTWWLRBQQ-PSWAGMNNSA-N 2 0 421.585 3.611 20 0 HHADRP Cc1ccccc1[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000481897486 994768123 /nfs/dbraw/zinc/76/81/23/994768123.db2.gz LQAFAJFLUWAQPT-QHCPKHFHSA-N 2 0 409.578 3.599 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000473870864 994811463 /nfs/dbraw/zinc/81/14/63/994811463.db2.gz FIKXQVCUDQAOTP-FUHWJXTLSA-N 2 0 404.530 3.690 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000473941446 994916396 /nfs/dbraw/zinc/91/63/96/994916396.db2.gz QZCCXDAORYYHKW-OALUTQOASA-N 2 0 400.611 3.705 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1OC(F)F ZINC000482125489 995074545 /nfs/dbraw/zinc/07/45/45/995074545.db2.gz KRXQXYQCQCHKEO-MRXNPFEDSA-N 2 0 408.468 3.685 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1OC(F)F ZINC000482125488 995074881 /nfs/dbraw/zinc/07/48/81/995074881.db2.gz KRXQXYQCQCHKEO-INIZCTEOSA-N 2 0 408.468 3.685 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482267067 995244963 /nfs/dbraw/zinc/24/49/63/995244963.db2.gz HXFXKVIDOJILKK-FYYLOGMGSA-N 2 0 412.622 3.945 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343654 995322805 /nfs/dbraw/zinc/32/28/05/995322805.db2.gz LSYWWTVFMGDGIH-GOSISDBHSA-N 2 0 401.576 3.529 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482356370 995336396 /nfs/dbraw/zinc/33/63/96/995336396.db2.gz KKGGZPNJYOHKFF-LJQANCHMSA-N 2 0 410.400 3.526 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474457345 995419373 /nfs/dbraw/zinc/41/93/73/995419373.db2.gz GLVVXKUVRVRNBJ-UHFFFAOYSA-N 2 0 422.333 3.975 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436148 995428601 /nfs/dbraw/zinc/42/86/01/995428601.db2.gz IPKNQDIDROLMGE-TZIWHRDSSA-N 2 0 415.603 3.663 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474480211 995439093 /nfs/dbraw/zinc/43/90/93/995439093.db2.gz ZRQRBCGQUGMQDR-UHFFFAOYSA-N 2 0 408.306 3.584 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4cnn(C)c4)nc3)cc2)C1 ZINC000474487928 995445626 /nfs/dbraw/zinc/44/56/26/995445626.db2.gz WLKVZSUROHNUNP-KDURUIRLSA-N 2 0 404.562 3.645 20 0 HHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482449827 995449775 /nfs/dbraw/zinc/44/97/75/995449775.db2.gz IMRXUCOLUIFSAL-QGZVFWFLSA-N 2 0 402.612 3.618 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000474517047 995480898 /nfs/dbraw/zinc/48/08/98/995480898.db2.gz PDNQIYSIVPTABG-SGKWCMOWSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541929 995550062 /nfs/dbraw/zinc/55/00/62/995550062.db2.gz HPPUVCWPMSTURQ-RXVVDRJESA-N 2 0 413.537 3.643 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482544711 995552203 /nfs/dbraw/zinc/55/22/03/995552203.db2.gz UGHBQYPDMGKQFR-ACDPGZMHSA-N 2 0 403.567 3.727 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562115 995568865 /nfs/dbraw/zinc/56/88/65/995568865.db2.gz PLYBLFRSQAIPML-HOJAQTOUSA-N 2 0 411.512 3.909 20 0 HHADRP COc1ccc(C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC000482570374 995575175 /nfs/dbraw/zinc/57/51/75/995575175.db2.gz VZMZNNNSSNULMN-RUZDIDTESA-N 2 0 411.590 3.605 20 0 HHADRP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634336 995580638 /nfs/dbraw/zinc/58/06/38/995580638.db2.gz OWKSKIVAPHGNIW-OAQYLSRUSA-N 2 0 410.562 3.674 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620254 995615995 /nfs/dbraw/zinc/61/59/95/995615995.db2.gz OMXMCTUPMADBQY-PBHICJAKSA-N 2 0 405.464 3.652 20 0 HHADRP C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623797 995618902 /nfs/dbraw/zinc/61/89/02/995618902.db2.gz QSDANTHCVXNSSY-NNWRFLSQSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474728019 995662967 /nfs/dbraw/zinc/66/29/67/995662967.db2.gz SITRABKQICPVEW-FHLIZLRMSA-N 2 0 405.995 3.975 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000474743983 995677141 /nfs/dbraw/zinc/67/71/41/995677141.db2.gz UIXLCSUFTLPNRX-PXDATVDWSA-N 2 0 405.586 3.946 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000482724642 995708880 /nfs/dbraw/zinc/70/88/80/995708880.db2.gz SQHYDGUOCDLCFB-QFIPXVFZSA-N 2 0 423.523 3.964 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474814631 995721870 /nfs/dbraw/zinc/72/18/70/995721870.db2.gz YANMYZKNAAMNPQ-ZLPCBKJTSA-N 2 0 405.549 3.960 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474874501 995768773 /nfs/dbraw/zinc/76/87/73/995768773.db2.gz YSNQQOMKHJJLNX-UHFFFAOYSA-N 2 0 408.306 3.584 20 0 HHADRP Cc1ccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821843 995772783 /nfs/dbraw/zinc/77/27/83/995772783.db2.gz LMVKCMJSUOZFLP-JWQCQUIFSA-N 2 0 405.586 3.803 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)ccc3OCC3CC3)CC2)CC1 ZINC000482834545 995780801 /nfs/dbraw/zinc/78/08/01/995780801.db2.gz JJJGCEALRNDLQN-UHFFFAOYSA-N 2 0 406.014 3.978 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475118979 995933813 /nfs/dbraw/zinc/93/38/13/995933813.db2.gz NBVLFPWSMIFJSW-VWLOTQADSA-N 2 0 410.606 3.559 20 0 HHADRP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175423 995972470 /nfs/dbraw/zinc/97/24/70/995972470.db2.gz XYBBPTXNTBINFA-NHCUHLMSSA-N 2 0 400.592 3.657 20 0 HHADRP CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182372 995978829 /nfs/dbraw/zinc/97/88/29/995978829.db2.gz KDIDBLBZUJRSJU-HSZRJFAPSA-N 2 0 400.611 3.949 20 0 HHADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475184748 995981280 /nfs/dbraw/zinc/98/12/80/995981280.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483117292 995986374 /nfs/dbraw/zinc/98/63/74/995986374.db2.gz GQZWNPHHHWQLFL-DENIHFKCSA-N 2 0 409.549 3.784 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000483132975 995994252 /nfs/dbraw/zinc/99/42/52/995994252.db2.gz XNUUOUVWTIHNFH-QGZVFWFLSA-N 2 0 421.582 3.769 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000475308630 996059735 /nfs/dbraw/zinc/05/97/35/996059735.db2.gz BLXRXHQXGLBAGQ-FPPAHVCDSA-N 2 0 410.606 3.699 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000483518164 996228665 /nfs/dbraw/zinc/22/86/65/996228665.db2.gz LEVFIWOJJQLNTQ-QFIPXVFZSA-N 2 0 414.594 3.538 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483568974 996256831 /nfs/dbraw/zinc/25/68/31/996256831.db2.gz SCXKQQWIOPKJTN-ISKFKSNPSA-N 2 0 421.585 3.754 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725905 996325920 /nfs/dbraw/zinc/32/59/20/996325920.db2.gz PXPAJMGPTACJNW-APWZRJJASA-N 2 0 410.400 3.590 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000483689051 996330401 /nfs/dbraw/zinc/33/04/01/996330401.db2.gz ZCDRZOKTTULBRP-UHFFFAOYSA-N 2 0 412.553 3.530 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccco1 ZINC000483731988 996354887 /nfs/dbraw/zinc/35/48/87/996354887.db2.gz MMAPOXWOACTKPA-IBGZPJMESA-N 2 0 422.639 3.713 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876476 996442516 /nfs/dbraw/zinc/44/25/16/996442516.db2.gz NCAXXXXIOCUBMW-UNMCSNQZSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483970960 996498987 /nfs/dbraw/zinc/49/89/87/996498987.db2.gz GNCIEXDDVDCDHG-XUZZJYLKSA-N 2 0 420.601 3.861 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483991961 996510043 /nfs/dbraw/zinc/51/00/43/996510043.db2.gz GRUXDRIWISEKAE-JOCHJYFZSA-N 2 0 412.622 3.947 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475995988 996525307 /nfs/dbraw/zinc/52/53/07/996525307.db2.gz HPMHGWKIQMPSSG-QFIPXVFZSA-N 2 0 412.622 3.947 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484022677 996526809 /nfs/dbraw/zinc/52/68/09/996526809.db2.gz FJZSHBQZCBISCZ-UHFFFAOYSA-N 2 0 400.542 3.551 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041663 996561073 /nfs/dbraw/zinc/56/10/73/996561073.db2.gz HYKMDXRGTRRNEX-ILBGXUMGSA-N 2 0 412.622 3.805 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1SC ZINC000484298378 996686885 /nfs/dbraw/zinc/68/68/85/996686885.db2.gz LQPYPVARYDZMOX-MRXNPFEDSA-N 2 0 407.624 3.694 20 0 HHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493282 996817315 /nfs/dbraw/zinc/81/73/15/996817315.db2.gz BWOSRWMOIDNUNL-QPXQOZNCSA-N 2 0 415.603 3.865 20 0 HHADRP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SC[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000484497297 996822912 /nfs/dbraw/zinc/82/29/12/996822912.db2.gz JNFNAUFJLMCRNF-GOSISDBHSA-N 2 0 402.608 3.559 20 0 HHADRP CCN(C(=O)Cn1c(C)nc2cc(F)c(F)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476687360 997226728 /nfs/dbraw/zinc/22/67/28/997226728.db2.gz GRAJPSAKUBHYCL-SFHVURJKSA-N 2 0 412.484 3.746 20 0 HHADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710742 997252198 /nfs/dbraw/zinc/25/21/98/997252198.db2.gz VVYMZARWMLOGEL-UYAOXDASSA-N 2 0 400.592 3.705 20 0 HHADRP Oc1ccc(C2=CC[NH+](CCOCC[N@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000485151661 997534765 /nfs/dbraw/zinc/53/47/65/997534765.db2.gz VTDNEBORDCVCTH-UHFFFAOYSA-N 2 0 420.553 3.993 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000476980813 997601393 /nfs/dbraw/zinc/60/13/93/997601393.db2.gz HFINUZFKEGTTJE-SFHVURJKSA-N 2 0 407.549 3.600 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476981926 997602782 /nfs/dbraw/zinc/60/27/82/997602782.db2.gz IUEDKVGNCVNKRF-REWPJTCUSA-N 2 0 404.595 3.549 20 0 HHADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476981923 997602885 /nfs/dbraw/zinc/60/28/85/997602885.db2.gz IUEDKVGNCVNKRF-NZQKXSOJSA-N 2 0 404.595 3.549 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000476985608 997610468 /nfs/dbraw/zinc/61/04/68/997610468.db2.gz ODGJIGKQGPHNRD-LJQANCHMSA-N 2 0 400.567 3.701 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000485608403 998055066 /nfs/dbraw/zinc/05/50/66/998055066.db2.gz NCMTTXWGAZOZNC-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616734 998064336 /nfs/dbraw/zinc/06/43/36/998064336.db2.gz SCOYMBMQABTCGM-WXFUMESZSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc4ncsc4c3)CC2)cc1 ZINC000485839970 998305393 /nfs/dbraw/zinc/30/53/93/998305393.db2.gz JNQCIFJSHRBRHO-LJQANCHMSA-N 2 0 422.598 3.990 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478415115 998945936 /nfs/dbraw/zinc/94/59/36/998945936.db2.gz JIOHSCMSPWVPBP-XVAYZXCPSA-N 2 0 400.611 3.564 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478416018 998946434 /nfs/dbraw/zinc/94/64/34/998946434.db2.gz INJLRWLZPBJFPK-FXAWDEMLSA-N 2 0 424.992 3.893 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3C[NH+](C)C)cc2)C[C@H]1C ZINC000486823115 998956489 /nfs/dbraw/zinc/95/64/89/998956489.db2.gz KRWUMNBIVAJNOM-NHCUHLMSSA-N 2 0 423.601 3.687 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2scnc2C2CC2)c1)C1CCOCC1 ZINC000486988849 999028560 /nfs/dbraw/zinc/02/85/60/999028560.db2.gz KJBJFLCWBJFXLT-UHFFFAOYSA-N 2 0 401.576 3.800 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000478738054 999115777 /nfs/dbraw/zinc/11/57/77/999115777.db2.gz JJFWRGAIXQAEMY-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000478837581 999168719 /nfs/dbraw/zinc/16/87/19/999168719.db2.gz RQTIVLARUQBJDX-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)ccn1 ZINC000487561223 999213618 /nfs/dbraw/zinc/21/36/18/999213618.db2.gz RNPWAEYZLNGSPC-UHFFFAOYSA-N 2 0 419.451 3.721 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488009647 999346698 /nfs/dbraw/zinc/34/66/98/999346698.db2.gz URLSBTFVSTVFCE-NQIIRXRSSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000479257470 999350974 /nfs/dbraw/zinc/35/09/74/999350974.db2.gz HMEZZYZXBRGUNJ-SFHVURJKSA-N 2 0 408.428 3.920 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000479302995 999375002 /nfs/dbraw/zinc/37/50/02/999375002.db2.gz WBNXXNMQWATCPX-KKSFZXQISA-N 2 0 403.364 3.737 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479311298 999378645 /nfs/dbraw/zinc/37/86/45/999378645.db2.gz KRWNCZXCJAJIQP-UIFIKXQLSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331524 999389175 /nfs/dbraw/zinc/38/91/75/999389175.db2.gz RBPBMNUOOWPIQX-KBPBESRZSA-N 2 0 422.422 3.946 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(OC)c(OC)cc43)cc2)CC1 ZINC000479340013 999393303 /nfs/dbraw/zinc/39/33/03/999393303.db2.gz YWKFWJFTGAOUQC-QHCPKHFHSA-N 2 0 409.574 3.618 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000479356962 999401143 /nfs/dbraw/zinc/40/11/43/999401143.db2.gz YFRAGQBVWRWOFJ-JSFDBMSQSA-N 2 0 412.622 3.931 20 0 HHADRP CCOc1cc2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c2cc1OCC ZINC000488175002 999402431 /nfs/dbraw/zinc/40/24/31/999402431.db2.gz BWPWEHIXJBEJOM-UHFFFAOYSA-N 2 0 406.530 3.926 20 0 HHADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444521 999420465 /nfs/dbraw/zinc/42/04/65/999420465.db2.gz IWGQFRLOIUTYRB-XUZZJYLKSA-N 2 0 405.546 3.530 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479452872 999424169 /nfs/dbraw/zinc/42/41/69/999424169.db2.gz IKOHPKNNYIWQFB-IRFCIJBXSA-N 2 0 415.603 3.512 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474399 999499257 /nfs/dbraw/zinc/49/92/57/999499257.db2.gz YJDJGKADWBNAQB-NQHRYMMQSA-N 2 0 405.586 3.925 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529162 999519055 /nfs/dbraw/zinc/51/90/55/999519055.db2.gz HDDONTKHQQSQIA-YMPZKCBVSA-N 2 0 400.611 3.564 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546462 999523505 /nfs/dbraw/zinc/52/35/05/999523505.db2.gz KWHSTCZKSRKKJX-NYVOZVTQSA-N 2 0 420.548 3.758 20 0 HHADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488551362 999525062 /nfs/dbraw/zinc/52/50/62/999525062.db2.gz UIBJQZKSMLKXNA-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000479969032 999668088 /nfs/dbraw/zinc/66/80/88/999668088.db2.gz UPIPCWLOTUKDEK-UHFFFAOYSA-N 2 0 421.585 3.558 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000479989598 999676493 /nfs/dbraw/zinc/67/64/93/999676493.db2.gz LZANXAJFMORIIT-UHFFFAOYSA-N 2 0 421.585 3.559 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000480033518 999695064 /nfs/dbraw/zinc/69/50/64/999695064.db2.gz HQWZRPUXTYEJPF-IBGZPJMESA-N 2 0 421.614 3.982 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178965 999717198 /nfs/dbraw/zinc/71/71/98/999717198.db2.gz XXZABCMPISSDEJ-UWJYYQICSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489247946 999729722 /nfs/dbraw/zinc/72/97/22/999729722.db2.gz KWKZPVMAZQJZJX-AVRDEDQJSA-N 2 0 414.619 3.951 20 0 HHADRP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254695 999730981 /nfs/dbraw/zinc/73/09/81/999730981.db2.gz KRSWCEPNKVGPNU-DNQXCXABSA-N 3 0 410.650 3.522 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290224 999738351 /nfs/dbraw/zinc/73/83/51/999738351.db2.gz AZPCMBUNJHDSAJ-YSZBQJHXSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+](C2CCC2)C1 ZINC000489403568 999760016 /nfs/dbraw/zinc/76/00/16/999760016.db2.gz ODRMWYCEYCAZCT-WFXMLNOXSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498781 999778964 /nfs/dbraw/zinc/77/89/64/999778964.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 2 0 420.601 3.645 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000489658964 999811929 /nfs/dbraw/zinc/81/19/29/999811929.db2.gz MOVKAGPVBFGRST-UHFFFAOYSA-N 2 0 419.569 3.907 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742536 999829149 /nfs/dbraw/zinc/82/91/49/999829149.db2.gz JGPRSOLCMDPXPT-QRADPCAZSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599990 999837759 /nfs/dbraw/zinc/83/77/59/999837759.db2.gz FEUVWWOOLXHNMC-VAMGGRTRSA-N 2 0 407.624 3.635 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000480610461 999840405 /nfs/dbraw/zinc/84/04/05/999840405.db2.gz JBXGLJXHPLELGM-GECPAALWSA-N 2 0 408.590 3.695 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489802538 999841245 /nfs/dbraw/zinc/84/12/45/999841245.db2.gz CRSBSXHWDRLDQV-RTBURBONSA-N 2 0 414.516 3.651 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489832899 999846031 /nfs/dbraw/zinc/84/60/31/999846031.db2.gz CDCSIFVKKZYODP-RDGATRHJSA-N 2 0 422.617 3.979 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838677 999847061 /nfs/dbraw/zinc/84/70/61/999847061.db2.gz UGRSJKXVOFJQOO-ZJSXRUAMSA-N 2 0 408.590 3.718 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489839149 999847283 /nfs/dbraw/zinc/84/72/83/999847283.db2.gz MSDCVJXSDTWYCN-VWLOTQADSA-N 2 0 420.601 3.646 20 0 HHADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(Br)c1 ZINC000480700368 999862907 /nfs/dbraw/zinc/86/29/07/999862907.db2.gz QSOBKRNONGOHER-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701648 999863270 /nfs/dbraw/zinc/86/32/70/999863270.db2.gz GJTIFSORNQTUCI-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056897 999886494 /nfs/dbraw/zinc/88/64/94/999886494.db2.gz IGKONGGIVSTFRS-FYYLOGMGSA-N 2 0 407.558 3.784 20 0 HHADRP Cn1cc([C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119163 999895694 /nfs/dbraw/zinc/89/56/94/999895694.db2.gz NGAZQMQTIVAXSO-LOSJGSFVSA-N 2 0 421.564 3.617 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 ZINC000490135921 999898542 /nfs/dbraw/zinc/89/85/42/999898542.db2.gz JEGQJNUGXXWNSO-AREMUKBSSA-N 2 0 421.585 3.990 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000490143194 999899520 /nfs/dbraw/zinc/89/95/20/999899520.db2.gz RQZXUGOPNSDJCZ-UHFFFAOYSA-N 2 0 401.576 3.653 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173578 999904986 /nfs/dbraw/zinc/90/49/86/999904986.db2.gz WMTFQICKPOGSDZ-XMSQKQJNSA-N 2 0 403.517 3.993 20 0 HHADRP COc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cc1 ZINC000490179363 999905941 /nfs/dbraw/zinc/90/59/41/999905941.db2.gz YRJMIOSRFJGXKD-SANMLTNESA-N 2 0 416.569 3.982 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490479134 999964095 /nfs/dbraw/zinc/96/40/95/999964095.db2.gz JRVVSMKFOOGKRS-GOSISDBHSA-N 2 0 402.514 3.966 20 0 HHADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000490752431 1000000892 /nfs/dbraw/zinc/00/08/92/1000000892.db2.gz BUTBLZGOWPKQQT-NRFANRHFSA-N 2 0 400.567 3.703 20 0 HHADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769784 1000003626 /nfs/dbraw/zinc/00/36/26/1000003626.db2.gz NPJACZVZXFHJED-GPUOULLFSA-N 2 0 405.586 3.925 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000491034113 1000037210 /nfs/dbraw/zinc/03/72/10/1000037210.db2.gz GDZKUZAWSGFBQV-NRFANRHFSA-N 2 0 403.364 3.832 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000491035640 1000037470 /nfs/dbraw/zinc/03/74/70/1000037470.db2.gz WILFXCDVPFNSJR-KKSFZXQISA-N 2 0 420.370 3.903 20 0 HHADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491063652 1000041473 /nfs/dbraw/zinc/04/14/73/1000041473.db2.gz ZVSMSOHZSCNGBN-HSZRJFAPSA-N 2 0 400.588 3.728 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000491310820 1000063881 /nfs/dbraw/zinc/06/38/81/1000063881.db2.gz SBXYXIKSINILQF-PZJWPPBQSA-N 2 0 424.593 3.572 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043719 1000106498 /nfs/dbraw/zinc/10/64/98/1000106498.db2.gz ODQKYHVPXFCZEC-UNMCSNQZSA-N 2 0 424.589 3.968 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515518 1000130416 /nfs/dbraw/zinc/13/04/16/1000130416.db2.gz NYFFMPQZMVMJKG-PWWKTKHKSA-N 2 0 422.617 3.850 20 0 HHADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000493845516 1000197882 /nfs/dbraw/zinc/19/78/82/1000197882.db2.gz OGEGWKRTXSHSKJ-IBGZPJMESA-N 2 0 415.379 3.681 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000494442663 1000494260 /nfs/dbraw/zinc/49/42/60/1000494260.db2.gz LJWOLILJRBYRHC-JPYJTQIMSA-N 2 0 416.585 3.552 20 0 HHADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494566756 1000557424 /nfs/dbraw/zinc/55/74/24/1000557424.db2.gz WUDRZKWEMOIAEU-ZJSXRUAMSA-N 2 0 415.622 3.542 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)c1 ZINC000494913630 1000726738 /nfs/dbraw/zinc/72/67/38/1000726738.db2.gz ZIXVWSOTZIFTSM-QFIPXVFZSA-N 2 0 422.617 3.950 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081767 1000818629 /nfs/dbraw/zinc/81/86/29/1000818629.db2.gz VLKTXZDMNGPQOB-HKUYNNGSSA-N 2 0 405.995 3.862 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000505686794 1000976042 /nfs/dbraw/zinc/97/60/42/1000976042.db2.gz WAYHMCTVNWXDQG-RPWUZVMVSA-N 2 0 406.574 3.841 20 0 HHADRP O=C(N[C@H]1CC[NH+]2CCCC[C@@H]12)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691509 1000977337 /nfs/dbraw/zinc/97/73/37/1000977337.db2.gz HGKVPWXWQMWBFN-PMACEKPBSA-N 2 0 424.511 3.550 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000505726792 1000995199 /nfs/dbraw/zinc/99/51/99/1000995199.db2.gz NARSMEAVGBXKRJ-WDJPJFJCSA-N 2 0 424.589 3.823 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738448 1001001071 /nfs/dbraw/zinc/00/10/71/1001001071.db2.gz SCVVIYFYJUCPHI-CQSZACIVSA-N 2 0 410.971 3.545 20 0 HHADRP COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000505751824 1001006480 /nfs/dbraw/zinc/00/64/80/1001006480.db2.gz XGDNBQHLTBBXIA-UHFFFAOYSA-N 2 0 409.574 3.793 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495434206 1001011540 /nfs/dbraw/zinc/01/15/40/1001011540.db2.gz QRNOZASETIEKPM-UEXGIBASSA-N 2 0 401.576 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000505803148 1001034205 /nfs/dbraw/zinc/03/42/05/1001034205.db2.gz UFDNXMFJBPEEQO-FQEVSTJZSA-N 2 0 417.594 3.505 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000505806732 1001036664 /nfs/dbraw/zinc/03/66/64/1001036664.db2.gz KTLHGJSVNITRHI-HSZRJFAPSA-N 2 0 409.574 3.754 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000495531112 1001041388 /nfs/dbraw/zinc/04/13/88/1001041388.db2.gz QDJKLURBARZUDM-INIZCTEOSA-N 2 0 408.468 3.973 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000505822708 1001045326 /nfs/dbraw/zinc/04/53/26/1001045326.db2.gz BVPXTIMFUREAGJ-AWEZNQCLSA-N 2 0 411.377 3.963 20 0 HHADRP COc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000506052673 1001193951 /nfs/dbraw/zinc/19/39/51/1001193951.db2.gz XGJXRZYADNCAHH-UHFFFAOYSA-N 2 0 423.985 3.502 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000497433906 1001362614 /nfs/dbraw/zinc/36/26/14/1001362614.db2.gz DUYUTTOBSRNAEO-PGRDOPGGSA-N 2 0 412.578 3.727 20 0 HHADRP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[NH+]2CCCC2)o1 ZINC000506361230 1001377678 /nfs/dbraw/zinc/37/76/78/1001377678.db2.gz BRMHKOXRRAJAOV-NRFANRHFSA-N 2 0 413.587 3.704 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497566400 1001438099 /nfs/dbraw/zinc/43/80/99/1001438099.db2.gz RSYSWMSPRIAVQR-GBXCKJPGSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445923 /nfs/dbraw/zinc/44/59/23/1001445923.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 2 0 407.549 3.915 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497826626 1001526642 /nfs/dbraw/zinc/52/66/42/1001526642.db2.gz VPGFFNMHAUWEJQ-NRFANRHFSA-N 2 0 420.395 3.995 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866269 1001572223 /nfs/dbraw/zinc/57/22/23/1001572223.db2.gz WDLHDNRFGLXDNP-QHAWAJNXSA-N 2 0 402.583 3.713 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000498126617 1001652883 /nfs/dbraw/zinc/65/28/83/1001652883.db2.gz KZOFLSFLAPEVFQ-URXFXBBRSA-N 2 0 406.574 3.651 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949420 1001723792 /nfs/dbraw/zinc/72/37/92/1001723792.db2.gz IVHSEFFDPDYSMM-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)CC1 ZINC000507210849 1001898768 /nfs/dbraw/zinc/89/87/68/1001898768.db2.gz TYTAXYOGGONWQA-QHCPKHFHSA-N 2 0 405.586 3.874 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Nc1ccccc1 ZINC000498503980 1001927340 /nfs/dbraw/zinc/92/73/40/1001927340.db2.gz FSEWBURRARCBJB-UHFFFAOYSA-N 2 0 415.541 3.767 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379038 1002034825 /nfs/dbraw/zinc/03/48/25/1002034825.db2.gz LOHPFMRYUFDJPX-HBMCJLEFSA-N 2 0 400.611 3.696 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383264 1002039050 /nfs/dbraw/zinc/03/90/50/1002039050.db2.gz SJMCWZXNZQVDOW-ZRCGQRJVSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691476 1002078599 /nfs/dbraw/zinc/07/85/99/1002078599.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 2 0 420.601 3.813 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCc2ccccc21 ZINC000507464068 1002086109 /nfs/dbraw/zinc/08/61/09/1002086109.db2.gz WJDXICYALWVVHJ-KMDXXIMOSA-N 2 0 403.570 3.856 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000507475344 1002092246 /nfs/dbraw/zinc/09/22/46/1002092246.db2.gz GTEGDARFXROLRI-OAQYLSRUSA-N 2 0 422.541 3.779 20 0 HHADRP Cc1cccc(CN(CC(C)C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498717067 1002098636 /nfs/dbraw/zinc/09/86/36/1002098636.db2.gz QUPVBEHUEGBMFU-UHFFFAOYSA-N 2 0 423.605 3.770 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c(OCC)c2)CC1 ZINC000507592443 1002197497 /nfs/dbraw/zinc/19/74/97/1002197497.db2.gz DVIGYSMGIXZYGR-UHFFFAOYSA-N 2 0 424.589 3.931 20 0 HHADRP CCCOc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000498818547 1002201847 /nfs/dbraw/zinc/20/18/47/1002201847.db2.gz FIACACZXOYPSFE-UHFFFAOYSA-N 2 0 411.550 3.513 20 0 HHADRP Cc1nn2c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)c(C(C)C)nc2s1 ZINC000507712504 1002302639 /nfs/dbraw/zinc/30/26/39/1002302639.db2.gz CWQXQQJTDYZRPL-UHFFFAOYSA-N 2 0 405.612 3.547 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000499112097 1002501854 /nfs/dbraw/zinc/50/18/54/1002501854.db2.gz NWOSUVKYAZXSPZ-CHOVIJNXSA-N 2 0 408.590 3.888 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000499123070 1002509296 /nfs/dbraw/zinc/50/92/96/1002509296.db2.gz FQSBSXOUDQOSIF-JOZNFPNDSA-N 2 0 405.590 3.847 20 0 HHADRP COc1cc([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139600 1002524587 /nfs/dbraw/zinc/52/45/87/1002524587.db2.gz PUNPOAMXLKNYOL-TWHAJKEOSA-N 2 0 410.558 3.913 20 0 HHADRP COc1cccc([C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC000508009320 1002535308 /nfs/dbraw/zinc/53/53/08/1002535308.db2.gz HBYWWTFQNYOECG-QFIPXVFZSA-N 2 0 404.599 3.592 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187963 1002577362 /nfs/dbraw/zinc/57/73/62/1002577362.db2.gz FPZKALXSGSWIDJ-VPBXCIAMSA-N 2 0 403.570 3.820 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257146 1002656789 /nfs/dbraw/zinc/65/67/89/1002656789.db2.gz TZHOBZSUSHNNMC-MPIKPJSNSA-N 3 0 410.650 3.722 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000499514774 1002903572 /nfs/dbraw/zinc/90/35/72/1002903572.db2.gz ROCXVPRGORIHKV-SFHVURJKSA-N 2 0 421.010 3.952 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692829 1003130965 /nfs/dbraw/zinc/13/09/65/1003130965.db2.gz BENOKFZMKMMGHK-TZIWHRDSSA-N 2 0 409.549 3.931 20 0 HHADRP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884561 1003220603 /nfs/dbraw/zinc/22/06/03/1003220603.db2.gz CUOJBKAYTCAVPQ-UXHICEINSA-N 2 0 424.593 3.585 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870113 1003291097 /nfs/dbraw/zinc/29/10/97/1003291097.db2.gz KQWLJAFLZGJYEH-KNQAVFIVSA-N 2 0 400.567 3.743 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875263 1003295200 /nfs/dbraw/zinc/29/52/00/1003295200.db2.gz BVOGYZCJBOSYKV-HSQYWUDLSA-N 2 0 400.542 3.727 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000508889995 1003318742 /nfs/dbraw/zinc/31/87/42/1003318742.db2.gz FHGRXFFTLPQEKR-GBXCKJPGSA-N 2 0 423.605 3.939 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cc1ccccc1 ZINC000500038163 1003364553 /nfs/dbraw/zinc/36/45/53/1003364553.db2.gz LKWAVWALDFJAIA-UHFFFAOYSA-N 2 0 414.553 3.615 20 0 HHADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1Br ZINC000500070816 1003421954 /nfs/dbraw/zinc/42/19/54/1003421954.db2.gz DKTPKZMQBQNXPK-UHFFFAOYSA-N 2 0 424.427 3.674 20 0 HHADRP CC(C)(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000500127055 1003488339 /nfs/dbraw/zinc/48/83/39/1003488339.db2.gz BXWBNZPKFXQRAJ-UHFFFAOYSA-N 2 0 420.601 3.919 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020028 1003491923 /nfs/dbraw/zinc/49/19/23/1003491923.db2.gz BHIOQPYHARNIQS-NOZRDPDXSA-N 2 0 406.618 3.699 20 0 HHADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500421773 1003706983 /nfs/dbraw/zinc/70/69/83/1003706983.db2.gz OPCMNFQZHAODGM-DEOSSOPVSA-N 2 0 407.558 3.858 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000500660153 1003873223 /nfs/dbraw/zinc/87/32/23/1003873223.db2.gz CMECYFSDIWTLBC-PMACEKPBSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000500678015 1003886907 /nfs/dbraw/zinc/88/69/07/1003886907.db2.gz KDOLESXWXDSJQB-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2Br)cc1)N1CC[NH+](C)CC1 ZINC000509475126 1003889044 /nfs/dbraw/zinc/88/90/44/1003889044.db2.gz GTKZNXGQWOYXMI-QGZVFWFLSA-N 2 0 402.380 3.842 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500762087 1003942427 /nfs/dbraw/zinc/94/24/27/1003942427.db2.gz CUCNKMNSVOLGDO-UHFFFAOYSA-N 2 0 409.578 3.591 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000500788892 1003957502 /nfs/dbraw/zinc/95/75/02/1003957502.db2.gz ZDZDOCFOWTYYOD-UHFFFAOYSA-N 2 0 406.640 3.724 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512091904 1004016510 /nfs/dbraw/zinc/01/65/10/1004016510.db2.gz VJTDYHOPKZALOV-UNMCSNQZSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000509744631 1004067025 /nfs/dbraw/zinc/06/70/25/1004067025.db2.gz GMGRYIRLKAETSB-YKSBVNFPSA-N 2 0 408.590 3.848 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163672 1004068915 /nfs/dbraw/zinc/06/89/15/1004068915.db2.gz GZDZRCLARSGOPN-PKTZIBPZSA-N 2 0 412.622 3.660 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000509835235 1004134703 /nfs/dbraw/zinc/13/47/03/1004134703.db2.gz YWCLGHOWQDUWLJ-VXKWHMMOSA-N 2 0 400.588 3.861 20 0 HHADRP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045415 1004146536 /nfs/dbraw/zinc/14/65/36/1004146536.db2.gz JVPRHIBZDMIBMX-INIZCTEOSA-N 2 0 418.488 3.858 20 0 HHADRP CN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000501046147 1004147496 /nfs/dbraw/zinc/14/74/96/1004147496.db2.gz OPTNZIFEXVESER-XMMPIXPASA-N 2 0 406.574 3.766 20 0 HHADRP COc1ccc([C@@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046744 1004148540 /nfs/dbraw/zinc/14/85/40/1004148540.db2.gz MSWKJMYMGNWYEB-VWLOTQADSA-N 2 0 422.573 3.506 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501052905 1004155470 /nfs/dbraw/zinc/15/54/70/1004155470.db2.gz JZAMQBLPFRUGQF-LEWJYISDSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063326 1004165609 /nfs/dbraw/zinc/16/56/09/1004165609.db2.gz NZSLAEJECDMWNW-KRWDZBQOSA-N 2 0 400.954 3.588 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000501065675 1004168387 /nfs/dbraw/zinc/16/83/87/1004168387.db2.gz GUUCJMOIOZUWAG-DEOSSOPVSA-N 2 0 421.589 3.604 20 0 HHADRP C[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501082027 1004186550 /nfs/dbraw/zinc/18/65/50/1004186550.db2.gz QLGIGYGQWWASAO-QHCPKHFHSA-N 2 0 411.590 3.967 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089373 1004195686 /nfs/dbraw/zinc/19/56/86/1004195686.db2.gz QHYZYTJKMVOITM-JKMAKKBCSA-N 2 0 422.976 3.740 20 0 HHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512315027 1004210724 /nfs/dbraw/zinc/21/07/24/1004210724.db2.gz RJXRKRHKZLMFSM-VWLOTQADSA-N 2 0 405.586 3.519 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391693 1004265370 /nfs/dbraw/zinc/26/53/70/1004265370.db2.gz GVISCIWCCQCJMG-WWNPGLIZSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512393159 1004266179 /nfs/dbraw/zinc/26/61/79/1004266179.db2.gz OKJIYDVGJKREAK-GMKZXUHWSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393808 1004266776 /nfs/dbraw/zinc/26/67/76/1004266776.db2.gz VYNVOJOFMCWRGE-PUHATCMVSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000510029430 1004276672 /nfs/dbraw/zinc/27/66/72/1004276672.db2.gz MESJQPACJXCVLY-PELRDEGISA-N 2 0 422.013 3.858 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512424841 1004290756 /nfs/dbraw/zinc/29/07/56/1004290756.db2.gz URXXLTYARIKWTK-YFNKSVMNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424680 1004291176 /nfs/dbraw/zinc/29/11/76/1004291176.db2.gz SHFPAYMENQPXGI-SJHORNLWSA-N 2 0 424.633 3.945 20 0 HHADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487087 1004337688 /nfs/dbraw/zinc/33/76/88/1004337688.db2.gz PXUNBVCGZAGZMP-UNMCSNQZSA-N 2 0 414.638 3.734 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000501325940 1004350012 /nfs/dbraw/zinc/35/00/12/1004350012.db2.gz HCQOSFZWWUGVBU-XZOQPEGZSA-N 2 0 416.610 3.642 20 0 HHADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512588823 1004404344 /nfs/dbraw/zinc/40/43/44/1004404344.db2.gz YZFWUOPIISVYPC-HXUWFJFHSA-N 2 0 414.638 3.590 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501475646 1004449952 /nfs/dbraw/zinc/44/99/52/1004449952.db2.gz GLRJZVOLSXEBMQ-ROUUACIJSA-N 2 0 407.002 3.867 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000512648948 1004460036 /nfs/dbraw/zinc/46/00/36/1004460036.db2.gz RQWLBLYMGUYDNX-NRFANRHFSA-N 2 0 414.638 3.591 20 0 HHADRP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653968 1004466405 /nfs/dbraw/zinc/46/64/05/1004466405.db2.gz IGSFBTJYMCQLSB-YFNKSVMNSA-N 2 0 408.542 3.629 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512661851 1004472948 /nfs/dbraw/zinc/47/29/48/1004472948.db2.gz USGQVUBHTVRHEZ-YTFSRNRJSA-N 2 0 419.569 3.692 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664573 1004475778 /nfs/dbraw/zinc/47/57/78/1004475778.db2.gz AGGAYOSRUVRURH-XQBPLPMBSA-N 2 0 413.512 3.585 20 0 HHADRP C[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512687960 1004493785 /nfs/dbraw/zinc/49/37/85/1004493785.db2.gz AAEQLKXAPKLTEM-CTNGQTDRSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510343706 1004495424 /nfs/dbraw/zinc/49/54/24/1004495424.db2.gz UEROMQHZDDSMPU-JYUKWDKTSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000501546637 1004505783 /nfs/dbraw/zinc/50/57/83/1004505783.db2.gz PPRUAUKWOAKRGW-HXUWFJFHSA-N 2 0 408.590 3.946 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512708691 1004509136 /nfs/dbraw/zinc/50/91/36/1004509136.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713325 1004512619 /nfs/dbraw/zinc/51/26/19/1004512619.db2.gz ZLSWWAIIHBYQOH-MOPGFXCFSA-N 2 0 402.583 3.538 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000501583602 1004533841 /nfs/dbraw/zinc/53/38/41/1004533841.db2.gz XSGGYTIRHQCGIW-JOCHJYFZSA-N 2 0 416.610 3.786 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)cc2)CC1 ZINC000510411802 1004547314 /nfs/dbraw/zinc/54/73/14/1004547314.db2.gz CUYKIRCPHWWDRK-UHFFFAOYSA-N 2 0 424.614 3.630 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000501615711 1004554753 /nfs/dbraw/zinc/55/47/53/1004554753.db2.gz HUDQEZAFHCZZTH-QFIPXVFZSA-N 2 0 424.564 3.808 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836679 1004595678 /nfs/dbraw/zinc/59/56/78/1004595678.db2.gz AWDGEPZWPXYFMY-OALUTQOASA-N 2 0 402.583 3.710 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000512839061 1004599389 /nfs/dbraw/zinc/59/93/89/1004599389.db2.gz QSJMWBQRMBBUJR-VQTJNVASSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510495391 1004613837 /nfs/dbraw/zinc/61/38/37/1004613837.db2.gz YZPKNUWXWMHEKE-RBBKRZOGSA-N 2 0 412.622 3.646 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000510509483 1004632066 /nfs/dbraw/zinc/63/20/66/1004632066.db2.gz DLBLHANNDOCWJR-DENIHFKCSA-N 2 0 400.611 3.981 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501728768 1004653439 /nfs/dbraw/zinc/65/34/39/1004653439.db2.gz RUDGPWKHGZRZFS-UHFFFAOYSA-N 2 0 420.601 3.920 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000510547576 1004681465 /nfs/dbraw/zinc/68/14/65/1004681465.db2.gz OZFIVTXNBXJLDU-WMZHIEFXSA-N 2 0 411.615 3.965 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510561329 1004703958 /nfs/dbraw/zinc/70/39/58/1004703958.db2.gz NCPFMTOZFZDJKV-AZUAARDMSA-N 2 0 416.585 3.742 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000501770158 1004707688 /nfs/dbraw/zinc/70/76/88/1004707688.db2.gz NGLGWDDVZZMCBN-TZIWHRDSSA-N 2 0 421.651 3.871 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510575637 1004722393 /nfs/dbraw/zinc/72/23/93/1004722393.db2.gz ZMHLPLYBNDACES-QKNQBKEWSA-N 2 0 402.583 3.759 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Br)cc43)cn2)CC1 ZINC000510718383 1004815078 /nfs/dbraw/zinc/81/50/78/1004815078.db2.gz JLKAMEQVASQOHC-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000510730992 1004821320 /nfs/dbraw/zinc/82/13/20/1004821320.db2.gz DZGNHKBNYMUQIW-NRFANRHFSA-N 2 0 415.379 3.633 20 0 HHADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000510782499 1004849322 /nfs/dbraw/zinc/84/93/22/1004849322.db2.gz KUQGMFPJDOABBN-UHFFFAOYSA-N 2 0 423.626 3.802 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000513212391 1004863339 /nfs/dbraw/zinc/86/33/39/1004863339.db2.gz LDQOLMATCWLEBJ-KRWDZBQOSA-N 2 0 417.598 3.744 20 0 HHADRP CC1(C)CC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC(C)(C)[NH2+]1 ZINC000510882463 1004908629 /nfs/dbraw/zinc/90/86/29/1004908629.db2.gz KLZZXPUDHVWMKI-HXUWFJFHSA-N 2 0 400.611 3.896 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511003781 1004975702 /nfs/dbraw/zinc/97/57/02/1004975702.db2.gz WSZRMZNDKKYQHJ-TUSQITKMSA-N 2 0 405.586 3.720 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511003778 1004975782 /nfs/dbraw/zinc/97/57/82/1004975782.db2.gz WSZRMZNDKKYQHJ-FTBPSBKWSA-N 2 0 405.586 3.720 20 0 HHADRP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502259470 1004981701 /nfs/dbraw/zinc/98/17/01/1004981701.db2.gz PMYBQWPBLYRBNM-UHFFFAOYSA-N 2 0 410.562 3.755 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000513523919 1005004175 /nfs/dbraw/zinc/00/41/75/1005004175.db2.gz DQPWMVPSGSVQOH-UHFFFAOYSA-N 2 0 401.599 3.558 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513527483 1005006324 /nfs/dbraw/zinc/00/63/24/1005006324.db2.gz SOPVOSUZCJFFHN-SANMLTNESA-N 2 0 415.585 3.688 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513527482 1005006601 /nfs/dbraw/zinc/00/66/01/1005006601.db2.gz SOPVOSUZCJFFHN-AREMUKBSSA-N 2 0 415.585 3.688 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232037 1005084029 /nfs/dbraw/zinc/08/40/29/1005084029.db2.gz QXVSNUSIFXSHGA-FKBYEOEOSA-N 2 0 404.643 3.793 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000513696645 1005086344 /nfs/dbraw/zinc/08/63/44/1005086344.db2.gz BUUYGMRBAALVHG-VXNXHJTFSA-N 2 0 423.557 3.789 20 0 HHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000502475111 1005086746 /nfs/dbraw/zinc/08/67/46/1005086746.db2.gz IWOYBFLWGCNJLB-XXBNENTESA-N 2 0 412.574 3.690 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713120 1005092771 /nfs/dbraw/zinc/09/27/71/1005092771.db2.gz KSUGCHXFERAQFU-ACRUOGEOSA-N 2 0 406.412 3.876 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284819 1005107376 /nfs/dbraw/zinc/10/73/76/1005107376.db2.gz FBVXNFUSWSHLHE-LAUBAEHRSA-N 2 0 404.986 3.644 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)CC2)CC1 ZINC000502538008 1005108923 /nfs/dbraw/zinc/10/89/23/1005108923.db2.gz AJSSJAJZEMLRBR-UHFFFAOYSA-N 2 0 404.643 3.983 20 0 HHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304758 1005116587 /nfs/dbraw/zinc/11/65/87/1005116587.db2.gz GERZJJTZDKSUQR-WIYYLYMNSA-N 2 0 401.620 3.618 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000502580655 1005127658 /nfs/dbraw/zinc/12/76/58/1005127658.db2.gz IAKFOOSXMIQPNP-UHFFFAOYSA-N 2 0 415.028 3.871 20 0 HHADRP C[N@H+](CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000502644433 1005157069 /nfs/dbraw/zinc/15/70/69/1005157069.db2.gz NOYHKVWWFSPLQQ-UHFFFAOYSA-N 2 0 400.611 3.806 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000511428436 1005172429 /nfs/dbraw/zinc/17/24/29/1005172429.db2.gz NSBZUUJWMOGVDT-HMXCVIKNSA-N 2 0 414.619 3.951 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000511481099 1005194624 /nfs/dbraw/zinc/19/46/24/1005194624.db2.gz LKGBUACGQOOTGY-UHFFFAOYSA-N 2 0 416.591 3.542 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505717 1005204194 /nfs/dbraw/zinc/20/41/94/1005204194.db2.gz FCLFKLVIRXNGPQ-LEWJYISDSA-N 2 0 405.533 3.621 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000502821530 1005232693 /nfs/dbraw/zinc/23/26/93/1005232693.db2.gz GNIAFLLHTISWGY-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000514123597 1005276729 /nfs/dbraw/zinc/27/67/29/1005276729.db2.gz WAKVWZOWWLOUSN-VQTJNVASSA-N 2 0 406.640 3.914 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000502927124 1005277965 /nfs/dbraw/zinc/27/79/65/1005277965.db2.gz AZNCDRMJQNSEOT-UHFFFAOYSA-N 2 0 406.574 3.795 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514131436 1005280896 /nfs/dbraw/zinc/28/08/96/1005280896.db2.gz YGJYVGZDGZTILX-JOCHJYFZSA-N 2 0 406.574 3.782 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171451 1005297980 /nfs/dbraw/zinc/29/79/80/1005297980.db2.gz BQHKLKAFMBIXBR-BJKOFHAPSA-N 2 0 406.574 3.706 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000514178665 1005299910 /nfs/dbraw/zinc/29/99/10/1005299910.db2.gz AJRPCZFSYYUXRE-CTNGQTDRSA-N 2 0 416.610 3.642 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000514178666 1005299932 /nfs/dbraw/zinc/29/99/32/1005299932.db2.gz AJRPCZFSYYUXRE-FPOVZHCZSA-N 2 0 416.610 3.642 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000511803901 1005336734 /nfs/dbraw/zinc/33/67/34/1005336734.db2.gz BAYCYFXOGWTAAF-KZNAEPCWSA-N 2 0 403.533 3.809 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000503337270 1005393130 /nfs/dbraw/zinc/39/31/30/1005393130.db2.gz CPNBJGKPZYSICT-RTWAWAEBSA-N 2 0 404.599 3.816 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503385020 1005404467 /nfs/dbraw/zinc/40/44/67/1005404467.db2.gz BCYWRIRBQKNOFW-NRFANRHFSA-N 2 0 422.683 3.646 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)CC1 ZINC000503446138 1005422685 /nfs/dbraw/zinc/42/26/85/1005422685.db2.gz JGFAVMFVOSRJFZ-JOCHJYFZSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504434634 1005627897 /nfs/dbraw/zinc/62/78/97/1005627897.db2.gz DWEYDRFJMKZJJA-OAQYLSRUSA-N 2 0 423.605 3.729 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000514413531 1005979014 /nfs/dbraw/zinc/97/90/14/1005979014.db2.gz ITGFLJJAOAAGCM-UHFFFAOYSA-N 2 0 402.583 3.937 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)Cc1ccccc1 ZINC000531207772 1006047450 /nfs/dbraw/zinc/04/74/50/1006047450.db2.gz IMLOUFWLQWUXSJ-HSZRJFAPSA-N 2 0 408.590 3.676 20 0 HHADRP CCC(CC)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000531300490 1006103249 /nfs/dbraw/zinc/10/32/49/1006103249.db2.gz WMBDFAXTRWYCOI-LVXARBLLSA-N 2 0 423.601 3.649 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000531315694 1006115594 /nfs/dbraw/zinc/11/55/94/1006115594.db2.gz IWZWGYIHDHVFEH-RBUKOAKNSA-N 2 0 404.942 3.672 20 0 HHADRP O=C(C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000534151238 1006129544 /nfs/dbraw/zinc/12/95/44/1006129544.db2.gz NFIAPWKOIHWVBX-RUZDIDTESA-N 2 0 403.570 3.572 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000531357802 1006146463 /nfs/dbraw/zinc/14/64/63/1006146463.db2.gz MMPLUROISLEHCF-UHFFFAOYSA-N 2 0 411.518 3.582 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000514817554 1006149272 /nfs/dbraw/zinc/14/92/72/1006149272.db2.gz GCRPHPQZAYCPIB-UNVFRBQDSA-N 2 0 421.585 3.618 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833564 1006163724 /nfs/dbraw/zinc/16/37/24/1006163724.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 2 0 420.601 3.712 20 0 HHADRP Cc1ccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)cc1 ZINC000531441809 1006198205 /nfs/dbraw/zinc/19/82/05/1006198205.db2.gz CJBLUFGVRDEVGC-DEOSSOPVSA-N 2 0 406.574 3.868 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000531443811 1006200252 /nfs/dbraw/zinc/20/02/52/1006200252.db2.gz PYLNYMGYLMQTJS-UHFFFAOYSA-N 2 0 410.587 3.794 20 0 HHADRP COc1cccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)c1 ZINC000531446350 1006201704 /nfs/dbraw/zinc/20/17/04/1006201704.db2.gz XKBMVZVRELUYJA-XMMPIXPASA-N 2 0 422.573 3.568 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000534235384 1006239091 /nfs/dbraw/zinc/23/90/91/1006239091.db2.gz JEJVVTIFWVKJPL-UHFFFAOYSA-N 2 0 424.520 3.739 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534249078 1006256394 /nfs/dbraw/zinc/25/63/94/1006256394.db2.gz AKYFSYOBDOIPSI-LVCYWYKZSA-N 2 0 424.992 3.988 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1cc(F)cc2c1OCOC2)C1CC[NH+](C)CC1 ZINC000531528674 1006256641 /nfs/dbraw/zinc/25/66/41/1006256641.db2.gz KPMZVCJIOXQAFJ-UHFFFAOYSA-N 2 0 413.537 3.555 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000531532119 1006259811 /nfs/dbraw/zinc/25/98/11/1006259811.db2.gz UCQBQLFCWYEIHX-UHFFFAOYSA-N 2 0 421.633 3.578 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540448 1006264741 /nfs/dbraw/zinc/26/47/41/1006264741.db2.gz OWPINEHBTHELJX-NQIIRXRSSA-N 2 0 407.002 3.754 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000531609772 1006305028 /nfs/dbraw/zinc/30/50/28/1006305028.db2.gz SRWASQXHKYKVOU-UHFFFAOYSA-N 2 0 420.189 3.537 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000531677527 1006349235 /nfs/dbraw/zinc/34/92/35/1006349235.db2.gz UBPVIVWRRYQIBW-JPYJTQIMSA-N 2 0 415.603 3.645 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)c1 ZINC000531689795 1006355909 /nfs/dbraw/zinc/35/59/09/1006355909.db2.gz KFDPVVUCDZYJEH-UHFFFAOYSA-N 2 0 421.633 3.546 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000531694903 1006358895 /nfs/dbraw/zinc/35/88/95/1006358895.db2.gz LQDRLMIAXDWBOJ-GOSISDBHSA-N 2 0 416.587 3.662 20 0 HHADRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710485 1006370236 /nfs/dbraw/zinc/37/02/36/1006370236.db2.gz REQFMZRKYLNEIR-UKRRQHHQSA-N 2 0 421.891 3.776 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(OC)c1 ZINC000531711948 1006372061 /nfs/dbraw/zinc/37/20/61/1006372061.db2.gz UJIWQMATZAOTAA-UYAOXDASSA-N 2 0 411.546 3.675 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715211 1006374187 /nfs/dbraw/zinc/37/41/87/1006374187.db2.gz ABCQMOUJVSHVRF-IIDMSEBBSA-N 2 0 401.414 3.879 20 0 HHADRP c1c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[nH]nc1-c1cccnc1 ZINC000531811347 1006445403 /nfs/dbraw/zinc/44/54/03/1006445403.db2.gz NWUGEVWDJUVRSJ-UHFFFAOYSA-N 2 0 405.546 3.633 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)CC1 ZINC000531841985 1006464082 /nfs/dbraw/zinc/46/40/82/1006464082.db2.gz RJZZDRAYTQFZHT-HXUWFJFHSA-N 2 0 417.395 3.598 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518340 1006510286 /nfs/dbraw/zinc/51/02/86/1006510286.db2.gz AKXIUYMTGDIJCY-ROUUACIJSA-N 2 0 409.530 3.764 20 0 HHADRP c1ccc(OCCOc2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)cn2)cc1 ZINC000531954715 1006543844 /nfs/dbraw/zinc/54/38/44/1006543844.db2.gz OJLNPDSXISDXPW-UHFFFAOYSA-N 2 0 404.514 3.693 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)o1 ZINC000532015465 1006576916 /nfs/dbraw/zinc/57/69/16/1006576916.db2.gz MQYVEEQCXOEZBM-XZOQPEGZSA-N 2 0 420.557 3.908 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000532041924 1006595258 /nfs/dbraw/zinc/59/52/58/1006595258.db2.gz WTSGGAAJGUDMJW-UHFFFAOYSA-N 2 0 420.601 3.631 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756050 1006644279 /nfs/dbraw/zinc/64/42/79/1006644279.db2.gz GPJDDOLFIDPZMR-MOPGFXCFSA-N 2 0 414.594 3.698 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000515757998 1006647649 /nfs/dbraw/zinc/64/76/49/1006647649.db2.gz TYGWHXUHMVZQJL-NJYVYQBISA-N 2 0 423.601 3.968 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000515790670 1006673667 /nfs/dbraw/zinc/67/36/67/1006673667.db2.gz QJFFRJVYOOVMRO-QHCPKHFHSA-N 2 0 412.553 3.914 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000515791653 1006674928 /nfs/dbraw/zinc/67/49/28/1006674928.db2.gz BYVNQILUEMTWFP-UHFFFAOYSA-N 2 0 406.574 3.541 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000515792062 1006675016 /nfs/dbraw/zinc/67/50/16/1006675016.db2.gz UDDVYMFNTVCTRC-NRFANRHFSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000515809982 1006690582 /nfs/dbraw/zinc/69/05/82/1006690582.db2.gz FYOSUVUJIIXHGW-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000532197638 1006713965 /nfs/dbraw/zinc/71/39/65/1006713965.db2.gz UXBDCTQMTKKCME-IRLDBZIGSA-N 2 0 412.553 3.797 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000515871166 1006727030 /nfs/dbraw/zinc/72/70/30/1006727030.db2.gz JTBAVKJCBDLBHV-UHFFFAOYSA-N 2 0 421.589 3.531 20 0 HHADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000532218716 1006729432 /nfs/dbraw/zinc/72/94/32/1006729432.db2.gz SCNBQMNOHBUZDM-OAHLLOKOSA-N 2 0 401.473 3.513 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515922838 1006765785 /nfs/dbraw/zinc/76/57/85/1006765785.db2.gz LRLCVUNQGGKCSB-JOCHJYFZSA-N 2 0 412.553 3.564 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000532347241 1006807804 /nfs/dbraw/zinc/80/78/04/1006807804.db2.gz BENYRQJBEOUSGM-UHFFFAOYSA-N 2 0 411.638 3.986 20 0 HHADRP COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532358611 1006816358 /nfs/dbraw/zinc/81/63/58/1006816358.db2.gz QYPBLFZRSPLGRE-OAQYLSRUSA-N 2 0 422.617 3.842 20 0 HHADRP FC(F)(F)c1cccc(N2CCN(CCC[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000532449782 1006892310 /nfs/dbraw/zinc/89/23/10/1006892310.db2.gz ZAVJHQOSWKUUJT-UHFFFAOYSA-N 2 0 424.555 3.682 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516204930 1006941657 /nfs/dbraw/zinc/94/16/57/1006941657.db2.gz FMAYHGVYYWDMTD-WOJBJXKFSA-N 2 0 415.626 3.707 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1)C(C)C ZINC000534920702 1006956503 /nfs/dbraw/zinc/95/65/03/1006956503.db2.gz TWABXEMINPXGDU-DQEYMECFSA-N 2 0 423.601 3.530 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552491 1006984007 /nfs/dbraw/zinc/98/40/07/1006984007.db2.gz RHMMJJKKDRCXNG-GBXCKJPGSA-N 2 0 406.574 3.712 20 0 HHADRP COc1nc2ccccc2cc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538724078 1007002271 /nfs/dbraw/zinc/00/22/71/1007002271.db2.gz QNNKZRYXHRCPFD-UHFFFAOYSA-N 2 0 410.606 3.872 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(-c2ccccc2)cc1OC ZINC000532627259 1007048925 /nfs/dbraw/zinc/04/89/25/1007048925.db2.gz JZCIBAPDGZYTGK-DHIUTWEWSA-N 2 0 410.558 3.838 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)c(F)c1 ZINC000532628940 1007050876 /nfs/dbraw/zinc/05/08/76/1007050876.db2.gz CGGCDPDUPFEXFN-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991202 1007050956 /nfs/dbraw/zinc/05/09/56/1007050956.db2.gz CLBLDTBDCKSYGA-MDYRTPRTSA-N 2 0 410.965 3.503 20 0 HHADRP O=C(C[NH+]1CCC(OCc2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532740727 1007151114 /nfs/dbraw/zinc/15/11/14/1007151114.db2.gz CGTGESIKJVCTRL-UHFFFAOYSA-N 2 0 421.585 3.580 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000538875320 1007154904 /nfs/dbraw/zinc/15/49/04/1007154904.db2.gz ATAWYVZVYXXCOM-HYBUGGRVSA-N 2 0 415.626 3.840 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000516559130 1007156386 /nfs/dbraw/zinc/15/63/86/1007156386.db2.gz VFHLTDDXUXKXNE-DVECYGJZSA-N 2 0 400.611 3.769 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000538958522 1007247085 /nfs/dbraw/zinc/24/70/85/1007247085.db2.gz JXUIAJSEARUFGK-UHFFFAOYSA-N 2 0 413.610 3.786 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000532888811 1007268746 /nfs/dbraw/zinc/26/87/46/1007268746.db2.gz GJKGKFWZSUKREM-UHFFFAOYSA-N 2 0 423.605 3.721 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000532986448 1007357128 /nfs/dbraw/zinc/35/71/28/1007357128.db2.gz NGFXAIAVFZXWPR-QHCPKHFHSA-N 2 0 420.601 3.783 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072106 1007363100 /nfs/dbraw/zinc/36/31/00/1007363100.db2.gz CSJOSHKLMVLNPK-IXDOHACOSA-N 2 0 405.974 3.769 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1)CC(C)C ZINC000539096606 1007386119 /nfs/dbraw/zinc/38/61/19/1007386119.db2.gz IDJVHVYQUBYVRM-JOCHJYFZSA-N 2 0 401.595 3.706 20 0 HHADRP Brc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000539201226 1007496893 /nfs/dbraw/zinc/49/68/93/1007496893.db2.gz RUCMOEBZVXCYBU-OAQYLSRUSA-N 2 0 415.379 3.633 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000539202170 1007497717 /nfs/dbraw/zinc/49/77/17/1007497717.db2.gz MZFALXDOAMFSDV-GOSISDBHSA-N 2 0 401.576 3.561 20 0 HHADRP Cc1[nH]nc2ncc(C[NH2+]CCc3ccc(OCC[NH+]4C[C@@H](C)[C@H](C)C4)cc3)cc12 ZINC000539223458 1007516139 /nfs/dbraw/zinc/51/61/39/1007516139.db2.gz DKWPOYVLAVBSHD-QZTJIDSGSA-N 2 0 407.562 3.565 20 0 HHADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313803 1007611860 /nfs/dbraw/zinc/61/18/60/1007611860.db2.gz JIPQSVKKTCIEIL-SFHLNBCPSA-N 2 0 418.601 3.798 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)NCc1cccc(Cl)c1 ZINC000535674709 1007698119 /nfs/dbraw/zinc/69/81/19/1007698119.db2.gz HWZIHWBKYKJREK-UHFFFAOYSA-N 2 0 411.977 3.944 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c(C4CC4)nc4sccn34)CC2)CC1 ZINC000539403759 1007711467 /nfs/dbraw/zinc/71/14/67/1007711467.db2.gz CAJFSZRGOCYFMO-UHFFFAOYSA-N 2 0 415.651 3.901 20 0 HHADRP CC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535683959 1007714791 /nfs/dbraw/zinc/71/47/91/1007714791.db2.gz OCGVLQRKQUUVMU-XLIONFOSSA-N 2 0 410.965 3.503 20 0 HHADRP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(-c2ccccc2)n1 ZINC000539408568 1007715313 /nfs/dbraw/zinc/71/53/13/1007715313.db2.gz ZAKLAPUXUKQCQV-UHFFFAOYSA-N 2 0 409.622 3.715 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702598 1007739545 /nfs/dbraw/zinc/73/95/45/1007739545.db2.gz UUOFUUMVMPMTBP-DBSRCYSRSA-N 2 0 424.992 3.986 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(c4ccc(O)cc4)CC3)c2)C1 ZINC000539501709 1007812262 /nfs/dbraw/zinc/81/22/62/1007812262.db2.gz GQYTXOCQLUBHLK-SHSGKGFPSA-N 2 0 421.585 3.906 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000517642401 1007852485 /nfs/dbraw/zinc/85/24/85/1007852485.db2.gz RZJRGVGHLGNWPE-IBGZPJMESA-N 2 0 415.626 3.769 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593040 1007892202 /nfs/dbraw/zinc/89/22/02/1007892202.db2.gz RRLFXDMSBFLVMJ-XZOQPEGZSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628809 1007945717 /nfs/dbraw/zinc/94/57/17/1007945717.db2.gz VSSQWIGXXVRTOT-HFZDXXHNSA-N 2 0 419.617 3.936 20 0 HHADRP Cc1cccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC000517777161 1007960001 /nfs/dbraw/zinc/96/00/01/1007960001.db2.gz CJZSODBKKDPTEY-XMMPIXPASA-N 2 0 405.586 3.874 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942096 1007974208 /nfs/dbraw/zinc/97/42/08/1007974208.db2.gz FTTBULVVPPTDIE-HYBUGGRVSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517918045 1008056024 /nfs/dbraw/zinc/05/60/24/1008056024.db2.gz VDLBBXAITBKALJ-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)C2)CC1 ZINC000533767330 1008092274 /nfs/dbraw/zinc/09/22/74/1008092274.db2.gz RVAMUEVOIXAXNG-RBBKRZOGSA-N 2 0 419.013 3.850 20 0 HHADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536096538 1008119121 /nfs/dbraw/zinc/11/91/21/1008119121.db2.gz TWIRPOZEOQKFGC-RUZDIDTESA-N 2 0 421.585 3.861 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000539921530 1008185327 /nfs/dbraw/zinc/18/53/27/1008185327.db2.gz DLSHSQUBTFRKCR-UHFFFAOYSA-N 2 0 422.617 3.787 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000518402428 1008289686 /nfs/dbraw/zinc/28/96/86/1008289686.db2.gz AHLYVVHASLTQBC-KDURUIRLSA-N 2 0 404.599 3.642 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000518440122 1008306447 /nfs/dbraw/zinc/30/64/47/1008306447.db2.gz BVJAKXSDRFGLLZ-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000540143453 1008310071 /nfs/dbraw/zinc/31/00/71/1008310071.db2.gz GSQVUAXTQSFCIT-BEFAXECRSA-N 2 0 401.364 3.857 20 0 HHADRP COc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccc(OC)cc2)cc1 ZINC000540155225 1008313913 /nfs/dbraw/zinc/31/39/13/1008313913.db2.gz AVVJPDKYBIZMSR-NXCFDTQHSA-N 2 0 424.585 3.955 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540161555 1008317364 /nfs/dbraw/zinc/31/73/64/1008317364.db2.gz SDLHHOFLNFUWKI-BTYIYWSLSA-N 2 0 419.928 3.876 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258259 1008357678 /nfs/dbraw/zinc/35/76/78/1008357678.db2.gz FNCJVDINIFSVBA-QRVBRYPASA-N 2 0 415.603 3.663 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264841 1008360355 /nfs/dbraw/zinc/36/03/55/1008360355.db2.gz LWTQDPYBCXTATN-ZWKOTPCHSA-N 2 0 401.576 3.559 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301487 1008372691 /nfs/dbraw/zinc/37/26/91/1008372691.db2.gz ZTIGUNRSIQFLEE-VWNXMTODSA-N 2 0 407.558 3.633 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000540408649 1008420797 /nfs/dbraw/zinc/42/07/97/1008420797.db2.gz UVQJIUDPZHKQNC-OALUTQOASA-N 2 0 412.553 3.954 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468387 1008443095 /nfs/dbraw/zinc/44/30/95/1008443095.db2.gz NHMKHKBFFBZPOY-RPWUZVMVSA-N 2 0 421.585 3.638 20 0 HHADRP COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)c1 ZINC000540474984 1008446170 /nfs/dbraw/zinc/44/61/70/1008446170.db2.gz IYHOZIWKAAERQK-AUSIDOKSSA-N 2 0 407.558 3.852 20 0 HHADRP CC1CC[NH+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000518887012 1008459536 /nfs/dbraw/zinc/45/95/36/1008459536.db2.gz MGDKJFAGCRIBAX-UHFFFAOYSA-N 2 0 414.516 3.511 20 0 HHADRP CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000519100178 1008532741 /nfs/dbraw/zinc/53/27/41/1008532741.db2.gz KRENTTAJYZCZCF-HSZRJFAPSA-N 2 0 414.594 3.950 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000545448724 1008561682 /nfs/dbraw/zinc/56/16/82/1008561682.db2.gz XTKTXWRUXPVVAK-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000543072752 1008649771 /nfs/dbraw/zinc/64/97/71/1008649771.db2.gz URAZDQSKWWRCSE-UHFFFAOYSA-N 2 0 422.610 3.671 20 0 HHADRP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545562086 1008658576 /nfs/dbraw/zinc/65/85/76/1008658576.db2.gz TUIXMPWDEPZKIM-RUZDIDTESA-N 2 0 420.601 3.565 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000549142750 1008710871 /nfs/dbraw/zinc/71/08/71/1008710871.db2.gz NZXSLGLNOQQYPL-RPBOFIJWSA-N 2 0 421.585 3.705 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1 ZINC000549230595 1008800487 /nfs/dbraw/zinc/80/04/87/1008800487.db2.gz SVEUWPGCAMOGIW-OAQYLSRUSA-N 2 0 418.006 3.922 20 0 HHADRP C[N@H+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231555 1008801594 /nfs/dbraw/zinc/80/15/94/1008801594.db2.gz JGSUFJNDAADWSM-PHASAHSISA-N 2 0 419.013 3.895 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)CC1 ZINC000545720980 1008813733 /nfs/dbraw/zinc/81/37/33/1008813733.db2.gz MZSAUDZQIVOTPG-UHFFFAOYSA-N 2 0 418.545 3.576 20 0 HHADRP Cc1ccc([C@H]2CC[N@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)cc1 ZINC000543248887 1008816668 /nfs/dbraw/zinc/81/66/68/1008816668.db2.gz GXPJYTNRPUDUOV-QFIPXVFZSA-N 2 0 409.599 3.972 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507033 1008878402 /nfs/dbraw/zinc/87/84/02/1008878402.db2.gz JXMLGSWVAWXBLI-QGZVFWFLSA-N 2 0 410.553 3.549 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000519747741 1008993374 /nfs/dbraw/zinc/99/33/74/1008993374.db2.gz JPPGBAWSWGYLSC-UHFFFAOYSA-N 2 0 401.620 3.764 20 0 HHADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862930 1009040350 /nfs/dbraw/zinc/04/03/50/1009040350.db2.gz JEAAZKMLSRZTJV-OFNKIYASSA-N 2 0 407.558 3.560 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458603 1009041573 /nfs/dbraw/zinc/04/15/73/1009041573.db2.gz GYADJAKHYMLBEG-JZXOWHBKSA-N 2 0 400.485 3.688 20 0 HHADRP C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461622 1009048241 /nfs/dbraw/zinc/04/82/41/1009048241.db2.gz OKPCECKVSASATC-CVEARBPZSA-N 2 0 413.635 3.937 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000546030373 1009056912 /nfs/dbraw/zinc/05/69/12/1009056912.db2.gz SVCPNJSCVCNSOL-UHFFFAOYSA-N 2 0 405.549 3.915 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000543535974 1009126909 /nfs/dbraw/zinc/12/69/09/1009126909.db2.gz OEMQWMHKLYDKOI-QGZVFWFLSA-N 2 0 422.017 3.676 20 0 HHADRP CC[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000546143390 1009173493 /nfs/dbraw/zinc/17/34/93/1009173493.db2.gz OLMAWVQZNQNUCQ-HSZRJFAPSA-N 2 0 421.589 3.604 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549582915 1009209363 /nfs/dbraw/zinc/20/93/63/1009209363.db2.gz CLZZXDCRORGMSJ-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000543628039 1009233926 /nfs/dbraw/zinc/23/39/26/1009233926.db2.gz JSAHCHDPGSNJEX-RZUBCFFCSA-N 2 0 400.588 3.739 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520109289 1009266189 /nfs/dbraw/zinc/26/61/89/1009266189.db2.gz HIUMIBHVOJBOEL-NRFANRHFSA-N 2 0 415.528 3.767 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775791 1009345041 /nfs/dbraw/zinc/34/50/41/1009345041.db2.gz UQUWQCOJDRTOCN-OXQOHEQNSA-N 2 0 419.338 3.932 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)cc2)C1 ZINC000549806591 1009413819 /nfs/dbraw/zinc/41/38/19/1009413819.db2.gz ZHUJVRBJZSCMLI-WOJBJXKFSA-N 2 0 400.588 3.728 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000543871836 1009441382 /nfs/dbraw/zinc/44/13/82/1009441382.db2.gz BHFVJHOALCDPQJ-KNQAVFIVSA-N 2 0 401.595 3.849 20 0 HHADRP C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000543907596 1009493010 /nfs/dbraw/zinc/49/30/10/1009493010.db2.gz RODPMAOVYUUYMZ-GMIPPLMFSA-N 2 0 420.644 3.941 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000546619497 1009632689 /nfs/dbraw/zinc/63/26/89/1009632689.db2.gz WVGMEXNPRCAGIO-KZNAEPCWSA-N 2 0 407.986 3.561 20 0 HHADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c2ncccc12 ZINC000546648090 1009652765 /nfs/dbraw/zinc/65/27/65/1009652765.db2.gz CUGVSOFPKWJOIF-GOSISDBHSA-N 2 0 413.566 3.513 20 0 HHADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000520733350 1009801347 /nfs/dbraw/zinc/80/13/47/1009801347.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 2 0 409.496 3.574 20 0 HHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873443 1009835807 /nfs/dbraw/zinc/83/58/07/1009835807.db2.gz XFKQHXADEPOKGN-KRWDZBQOSA-N 2 0 422.411 3.684 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332675 1009956337 /nfs/dbraw/zinc/95/63/37/1009956337.db2.gz VOZDRYUSBPYBRT-JRFVFWCSSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000520958294 1010005514 /nfs/dbraw/zinc/00/55/14/1010005514.db2.gz TXBUFJKWUUFATM-JOCHJYFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067540 1010085998 /nfs/dbraw/zinc/08/59/98/1010085998.db2.gz YBKORMXYKOJIQN-KDURUIRLSA-N 2 0 424.580 3.796 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1)C(C)C ZINC000547194903 1010138538 /nfs/dbraw/zinc/13/85/38/1010138538.db2.gz MLCZCCUONVUAKR-UHFFFAOYSA-N 2 0 409.534 3.969 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521157567 1010186400 /nfs/dbraw/zinc/18/64/00/1010186400.db2.gz ZKFQPBVSRPWLCY-UHFFFAOYSA-N 2 0 421.585 3.690 20 0 HHADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000544578904 1010206562 /nfs/dbraw/zinc/20/65/62/1010206562.db2.gz IQHUYBJYEIHUNQ-FQEVSTJZSA-N 2 0 400.588 3.933 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000551020855 1010322593 /nfs/dbraw/zinc/32/25/93/1010322593.db2.gz RODQYTCUFXRMFI-GOSISDBHSA-N 2 0 401.576 3.923 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505544 1010332354 /nfs/dbraw/zinc/33/23/54/1010332354.db2.gz TYFCKQDKIUTYAK-OFVILXPXSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511429 1010334301 /nfs/dbraw/zinc/33/43/01/1010334301.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 2 0 412.647 3.537 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544832027 1010422318 /nfs/dbraw/zinc/42/23/18/1010422318.db2.gz IFLNUFUDFYDFSL-QHCPKHFHSA-N 2 0 400.998 3.882 20 0 HHADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000544865985 1010447305 /nfs/dbraw/zinc/44/73/05/1010447305.db2.gz VZUDOZWXJSIKSX-QGZVFWFLSA-N 2 0 422.411 3.684 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481696 /nfs/dbraw/zinc/48/16/96/1010481696.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 2 0 409.549 3.989 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000521624089 1010510291 /nfs/dbraw/zinc/51/02/91/1010510291.db2.gz VHAQWPAQHLCQSX-LJQANCHMSA-N 2 0 407.002 3.582 20 0 HHADRP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154457 1010546679 /nfs/dbraw/zinc/54/66/79/1010546679.db2.gz FNBPUSWBAMQLKY-QDSKXPNFSA-N 2 0 423.601 3.778 20 0 HHADRP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521690377 1010554133 /nfs/dbraw/zinc/55/41/33/1010554133.db2.gz NIVGVCRJKYOVBJ-FPOVZHCZSA-N 2 0 409.496 3.528 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000548333733 1010598241 /nfs/dbraw/zinc/59/82/41/1010598241.db2.gz OMSUXBRBCOKNJM-XMMPIXPASA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482137 1010640788 /nfs/dbraw/zinc/64/07/88/1010640788.db2.gz XNJIGGCYZHDQJZ-URXFXBBRSA-N 3 0 407.602 3.644 20 0 HHADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000551569205 1010668124 /nfs/dbraw/zinc/66/81/24/1010668124.db2.gz BJTZPRJVTYQROS-VWLOTQADSA-N 2 0 419.573 3.981 20 0 HHADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000551569204 1010668198 /nfs/dbraw/zinc/66/81/98/1010668198.db2.gz BJTZPRJVTYQROS-RUZDIDTESA-N 2 0 419.573 3.981 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000521991083 1010752485 /nfs/dbraw/zinc/75/24/85/1010752485.db2.gz JAIBEQKRRVJCAG-QHCPKHFHSA-N 2 0 412.578 3.807 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)([NH+](C)C)C1 ZINC000521994668 1010753939 /nfs/dbraw/zinc/75/39/39/1010753939.db2.gz BZXKLIFRIWRISE-XMSQKQJNSA-N 2 0 406.640 3.770 20 0 HHADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000522048221 1010777694 /nfs/dbraw/zinc/77/76/94/1010777694.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 2 0 418.585 3.756 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000522174547 1010846969 /nfs/dbraw/zinc/84/69/69/1010846969.db2.gz VCYCRDNURODSFW-HSZRJFAPSA-N 2 0 416.610 3.643 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000522173824 1010847117 /nfs/dbraw/zinc/84/71/17/1010847117.db2.gz KHSCCBSWXDVEDS-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848289 /nfs/dbraw/zinc/84/82/89/1010848289.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 2 0 420.601 3.978 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000522323796 1010930321 /nfs/dbraw/zinc/93/03/21/1010930321.db2.gz CPQCBBXNEBWNIQ-VIZSFHNOSA-N 2 0 400.611 3.694 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522354106 1010952134 /nfs/dbraw/zinc/95/21/34/1010952134.db2.gz BUGOIZOYFUGLFY-JOCHJYFZSA-N 2 0 410.562 3.820 20 0 HHADRP CCCN(C(=O)NC[C@@H]1CC[NH+](CCC)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522433685 1011009197 /nfs/dbraw/zinc/00/91/97/1011009197.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522468192 1011030958 /nfs/dbraw/zinc/03/09/58/1011030958.db2.gz SIVOJSDCKWWLDV-RTBURBONSA-N 2 0 416.591 3.923 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000522603149 1011105550 /nfs/dbraw/zinc/10/55/50/1011105550.db2.gz NHWNGLXMALFALZ-YADHBBJMSA-N 2 0 418.626 3.888 20 0 HHADRP CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000522725805 1011179518 /nfs/dbraw/zinc/17/95/18/1011179518.db2.gz MGWZAUNXLXMCBA-IBGZPJMESA-N 2 0 413.541 3.526 20 0 HHADRP COc1ccc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)cc1 ZINC000540590387 1011246577 /nfs/dbraw/zinc/24/65/77/1011246577.db2.gz KQZBHAQUWSZADM-AREMUKBSSA-N 2 0 421.585 3.779 20 0 HHADRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000540597881 1011252623 /nfs/dbraw/zinc/25/26/23/1011252623.db2.gz VXNWQNGORGEMGL-IBGZPJMESA-N 2 0 421.358 3.976 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000522828264 1011263317 /nfs/dbraw/zinc/26/33/17/1011263317.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 2 0 420.601 3.842 20 0 HHADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000536157358 1011282524 /nfs/dbraw/zinc/28/25/24/1011282524.db2.gz GPBOUYSGNBCKSC-RXVVDRJESA-N 2 0 416.635 3.670 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)c(C)c2)CC1 ZINC000523023513 1011486658 /nfs/dbraw/zinc/48/66/58/1011486658.db2.gz NCALIDGAOLMDBY-UHFFFAOYSA-N 2 0 401.599 3.571 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303000 1011493282 /nfs/dbraw/zinc/49/32/82/1011493282.db2.gz RLOGSXJCOZCSIF-FZKQIMNGSA-N 2 0 400.792 3.705 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000540914109 1011582907 /nfs/dbraw/zinc/58/29/07/1011582907.db2.gz SOYWJLKUEYBTFN-LVXARBLLSA-N 2 0 402.586 3.912 20 0 HHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccccc1Br ZINC000540982919 1011617636 /nfs/dbraw/zinc/61/76/36/1011617636.db2.gz SPCQKLSPPKCTNU-SFHVURJKSA-N 2 0 411.384 3.576 20 0 HHADRP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000541031927 1011666057 /nfs/dbraw/zinc/66/60/57/1011666057.db2.gz JORBYQKNSJTHHP-DENIHFKCSA-N 2 0 404.599 3.928 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033233 1011667090 /nfs/dbraw/zinc/66/70/90/1011667090.db2.gz VIIDVUCEDHDRDM-JTHBVZDNSA-N 2 0 416.610 3.929 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219408 1011707491 /nfs/dbraw/zinc/70/74/91/1011707491.db2.gz XIWXWZZKPFIHLN-BJKOFHAPSA-N 2 0 423.605 3.689 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)([NH+](C)C)C1 ZINC000523301039 1011780632 /nfs/dbraw/zinc/78/06/32/1011780632.db2.gz KNAPGNCUITTWKZ-KNKQGSTJSA-N 2 0 406.640 3.770 20 0 HHADRP CC(C)(CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302487 1011781695 /nfs/dbraw/zinc/78/16/95/1011781695.db2.gz OMBUMFNGEBPJFM-NRFANRHFSA-N 2 0 411.512 3.822 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000523314777 1011791625 /nfs/dbraw/zinc/79/16/25/1011791625.db2.gz WTPGPYUQHATFSC-UHFFFAOYSA-N 2 0 408.333 3.722 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000536664783 1011816344 /nfs/dbraw/zinc/81/63/44/1011816344.db2.gz LCBMGOAYVCWECC-HSZRJFAPSA-N 2 0 423.601 3.971 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000541212147 1011882662 /nfs/dbraw/zinc/88/26/62/1011882662.db2.gz LYOGMLXRNLMJGL-AWEZNQCLSA-N 2 0 421.891 3.778 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446177 1011941401 /nfs/dbraw/zinc/94/14/01/1011941401.db2.gz ONYVQZYNAPZHPA-OAQYLSRUSA-N 2 0 410.562 3.722 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770344 1011972950 /nfs/dbraw/zinc/97/29/50/1011972950.db2.gz CZYIKMOBYJKCIO-IFMALSPDSA-N 2 0 413.610 3.594 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770384 1011973793 /nfs/dbraw/zinc/97/37/93/1011973793.db2.gz CZYIKMOBYJKCIO-RBBKRZOGSA-N 2 0 413.610 3.594 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000523483296 1011997430 /nfs/dbraw/zinc/99/74/30/1011997430.db2.gz DCRVGLUFGUESFY-JOCHJYFZSA-N 2 0 416.610 3.567 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H](C)C1 ZINC000536806282 1012028432 /nfs/dbraw/zinc/02/84/32/1012028432.db2.gz KYNDYVPLQXVCKL-UNMCSNQZSA-N 2 0 416.606 3.996 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000523524074 1012050335 /nfs/dbraw/zinc/05/03/35/1012050335.db2.gz CEVJHXOYOVQGHM-NRFANRHFSA-N 2 0 408.590 3.945 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066467 /nfs/dbraw/zinc/06/64/67/1012066467.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 2 0 411.634 3.912 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000552046879 1012067720 /nfs/dbraw/zinc/06/77/20/1012067720.db2.gz VILZCGANRQYLAQ-QGZVFWFLSA-N 2 0 409.530 3.589 20 0 HHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057389 1012074202 /nfs/dbraw/zinc/07/42/02/1012074202.db2.gz RQCAQRCPTFALRR-QTJGBDASSA-N 2 0 405.590 3.726 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1I ZINC000536855948 1012089029 /nfs/dbraw/zinc/08/90/29/1012089029.db2.gz DAAWMXWAPNAVGM-BZUAXINKSA-N 2 0 416.347 3.831 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000536863113 1012099445 /nfs/dbraw/zinc/09/94/45/1012099445.db2.gz MEBRRRUTZZIKRM-HDICACEKSA-N 2 0 411.993 3.923 20 0 HHADRP CCC1(C[NH2+]Cc2cn(Cc3cccnc3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000541381451 1012099439 /nfs/dbraw/zinc/09/94/39/1012099439.db2.gz NZEHYTIBKHONTR-UHFFFAOYSA-N 2 0 404.562 3.503 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876584 1012118873 /nfs/dbraw/zinc/11/88/73/1012118873.db2.gz OJVMHXZGABHPLC-NZQKXSOJSA-N 2 0 401.595 3.539 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC000541424828 1012173544 /nfs/dbraw/zinc/17/35/44/1012173544.db2.gz FJKKMNBFNFWFAS-HXUWFJFHSA-N 2 0 417.594 3.505 20 0 HHADRP C[C@@H](CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541520641 1012301822 /nfs/dbraw/zinc/30/18/22/1012301822.db2.gz JVNZIPGYKBWLRN-QFIPXVFZSA-N 2 0 400.611 3.601 20 0 HHADRP COC(=O)c1ccc([C@H](C)[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)o1 ZINC000537017106 1012318672 /nfs/dbraw/zinc/31/86/72/1012318672.db2.gz JQFFCQPHEYJBCP-KRWDZBQOSA-N 2 0 415.534 3.744 20 0 HHADRP Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(OCC[N@H+]4C[C@H](C)[C@H](C)C4)cc3)cc12 ZINC000537024016 1012331270 /nfs/dbraw/zinc/33/12/70/1012331270.db2.gz UMZSGVBGWZBCSF-KDURUIRLSA-N 2 0 421.589 3.576 20 0 HHADRP Fc1ccc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545295 1012331501 /nfs/dbraw/zinc/33/15/01/1012331501.db2.gz GJHYMVUNLVWDDM-DEOSSOPVSA-N 2 0 405.521 3.507 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000552331666 1012339886 /nfs/dbraw/zinc/33/98/86/1012339886.db2.gz HTZMMYYBFXUPNM-HXUWFJFHSA-N 2 0 404.624 3.620 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732648 1012350961 /nfs/dbraw/zinc/35/09/61/1012350961.db2.gz PPJVELHZMQLFHY-OXQOHEQNSA-N 2 0 423.395 3.952 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1F ZINC000523807513 1012478078 /nfs/dbraw/zinc/47/80/78/1012478078.db2.gz BRQOCJPWOVOMBH-FQEVSTJZSA-N 2 0 404.574 3.685 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)CC1 ZINC000541662009 1012490744 /nfs/dbraw/zinc/49/07/44/1012490744.db2.gz GCMRZFWNNOEKNO-UHFFFAOYSA-N 2 0 417.601 3.851 20 0 HHADRP C[C@H](C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000537115146 1012491130 /nfs/dbraw/zinc/49/11/30/1012491130.db2.gz FUKQLTAZTXWKRU-SPYBWZPUSA-N 2 0 412.441 3.705 20 0 HHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000552579019 1012584511 /nfs/dbraw/zinc/58/45/11/1012584511.db2.gz PNIVMQJYYBAWLK-DHIUTWEWSA-N 2 0 406.014 3.662 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H](c3ccccc3)c3cncnc3)CC2)cc1 ZINC000541746651 1012604890 /nfs/dbraw/zinc/60/48/90/1012604890.db2.gz KRVMLWLDHZJSAH-AREMUKBSSA-N 2 0 415.585 3.754 20 0 HHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541759616 1012620716 /nfs/dbraw/zinc/62/07/16/1012620716.db2.gz UNIOXLFWRBJHEB-UHFFFAOYSA-N 2 0 409.622 3.845 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000523907287 1012623582 /nfs/dbraw/zinc/62/35/82/1012623582.db2.gz XKGBSMXCCZNPFQ-FDDCHVKYSA-N 2 0 412.553 3.953 20 0 HHADRP c1cn2c(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c(C3CC3)nc2s1 ZINC000537229636 1012662525 /nfs/dbraw/zinc/66/25/25/1012662525.db2.gz QFKAXFMCAWYSTN-UHFFFAOYSA-N 2 0 423.630 3.961 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939410 1012673452 /nfs/dbraw/zinc/67/34/52/1012673452.db2.gz MNKBMWJVMGBLIS-SBHAEUEKSA-N 2 0 404.599 3.782 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915891 1012774025 /nfs/dbraw/zinc/77/40/25/1012774025.db2.gz FCPHYROYVWQFFE-MHECFPHRSA-N 2 0 422.573 3.778 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000541917860 1012775832 /nfs/dbraw/zinc/77/58/32/1012775832.db2.gz GITFKLJQZGWEJI-HCYSDIRSSA-N 2 0 419.569 3.566 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000552899816 1012901254 /nfs/dbraw/zinc/90/12/54/1012901254.db2.gz VZFFSEIITQUYJV-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000542019466 1012910529 /nfs/dbraw/zinc/91/05/29/1012910529.db2.gz WWKDAWCSLZPVKP-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)CC1 ZINC000729681207 1071801989 /nfs/dbraw/zinc/80/19/89/1071801989.db2.gz JBUWXJJVCLFPDO-INIZCTEOSA-N 2 0 424.420 3.851 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816607 1072063552 /nfs/dbraw/zinc/06/35/52/1072063552.db2.gz DMKXIGPEUFYZCC-NPPFBWRTSA-N 2 0 419.013 3.676 20 0 HHADRP O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000615098575 1072144754 /nfs/dbraw/zinc/14/47/54/1072144754.db2.gz FCPGOCFMDCMSDQ-XMMPIXPASA-N 2 0 409.549 3.745 20 0 HHADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001168275525 1072156039 /nfs/dbraw/zinc/15/60/39/1072156039.db2.gz MHEOGESWKNEHAH-NRFANRHFSA-N 2 0 422.658 3.514 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC[C@@H]2Cn3cccc3CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168290432 1072447055 /nfs/dbraw/zinc/44/70/55/1072447055.db2.gz MTXMBTBLTJYQHF-XEVCZEQESA-N 2 0 404.599 3.708 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855772 1072477198 /nfs/dbraw/zinc/47/71/98/1072477198.db2.gz IKLGYNXASNRKQX-RBBKRZOGSA-N 2 0 400.611 3.708 20 0 HHADRP Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323445 1072504595 /nfs/dbraw/zinc/50/45/95/1072504595.db2.gz ZMZZMGOOKIZCNK-SNDHGLFQSA-N 2 0 401.595 3.651 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000537705062 1072618610 /nfs/dbraw/zinc/61/86/10/1072618610.db2.gz CHMOTNPYRQSHPV-RLLQIKCJSA-N 2 0 420.395 3.529 20 0 HHADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000760670678 1072696744 /nfs/dbraw/zinc/69/67/44/1072696744.db2.gz QVNUDUGVFSMKRI-JOCHJYFZSA-N 2 0 401.595 3.788 20 0 HHADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000645768852 1072731616 /nfs/dbraw/zinc/73/16/16/1072731616.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 2 0 411.512 3.674 20 0 HHADRP CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870379 1072858296 /nfs/dbraw/zinc/85/82/96/1072858296.db2.gz RUADQYDYWCAYCI-LXGWOEDASA-N 2 0 421.585 3.763 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)cc2ccccc21 ZINC001142613107 1072995876 /nfs/dbraw/zinc/99/58/76/1072995876.db2.gz MSKYEUOKRKPNPA-UHFFFAOYSA-N 2 0 408.933 3.830 20 0 HHADRP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000555109411 1073165929 /nfs/dbraw/zinc/16/59/29/1073165929.db2.gz PMSZTRWEVYWGOE-OAQYLSRUSA-N 2 0 417.557 3.868 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555112902 1073167780 /nfs/dbraw/zinc/16/77/80/1073167780.db2.gz BICGWTKBWGJJEJ-JOCHJYFZSA-N 2 0 414.981 3.907 20 0 HHADRP COCCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000555225026 1073263711 /nfs/dbraw/zinc/26/37/11/1073263711.db2.gz FZQVDGMYJXBSNF-RMXUSPLISA-N 2 0 406.014 3.954 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000555418248 1073451249 /nfs/dbraw/zinc/45/12/49/1073451249.db2.gz IOSPNFAXUKSHKG-DFCKQENNSA-N 2 0 417.597 3.811 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCc4cncn4C)cc3)CC2)c1 ZINC000555430382 1073458032 /nfs/dbraw/zinc/45/80/32/1073458032.db2.gz YVNDPQFRTKFKFQ-UHFFFAOYSA-N 2 0 417.557 3.622 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147092 1073589868 /nfs/dbraw/zinc/58/98/68/1073589868.db2.gz IDOSFGLLVUXYAA-FGZHOGPDSA-N 2 0 410.562 3.943 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555582621 1073650549 /nfs/dbraw/zinc/65/05/49/1073650549.db2.gz DSHSFKQTQQPVTP-FPOVZHCZSA-N 2 0 409.549 3.784 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555582618 1073650699 /nfs/dbraw/zinc/65/06/99/1073650699.db2.gz DSHSFKQTQQPVTP-CTNGQTDRSA-N 2 0 409.549 3.784 20 0 HHADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(Cl)c1Br ZINC000555865474 1073906912 /nfs/dbraw/zinc/90/69/12/1073906912.db2.gz FJHRRUUNIQOYIJ-UHFFFAOYSA-N 2 0 418.807 3.757 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786180 1074003307 /nfs/dbraw/zinc/00/33/07/1074003307.db2.gz FRJPAMGTSXXEMW-KRWDZBQOSA-N 2 0 424.427 3.848 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1cccnc1 ZINC001168366720 1074091480 /nfs/dbraw/zinc/09/14/80/1074091480.db2.gz YZRPBVJNFOHNQA-RBBKRZOGSA-N 2 0 414.594 3.844 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1CCCCC1 ZINC000591139639 1074126946 /nfs/dbraw/zinc/12/69/46/1074126946.db2.gz OPXPPSGPAOOCSC-QHCPKHFHSA-N 2 0 414.594 3.950 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000591558074 1074405838 /nfs/dbraw/zinc/40/58/38/1074405838.db2.gz WEMPIKXZERQVRG-XZOQPEGZSA-N 2 0 400.611 3.599 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000591581245 1074424536 /nfs/dbraw/zinc/42/45/36/1074424536.db2.gz LMNCUEZOVIYFKV-HSZRJFAPSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000573486984 1074524928 /nfs/dbraw/zinc/52/49/28/1074524928.db2.gz DATWTJOUCRGLJM-UHFFFAOYSA-N 2 0 416.013 3.602 20 0 HHADRP CN(CC[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000573927436 1074665143 /nfs/dbraw/zinc/66/51/43/1074665143.db2.gz MMSLCQIWADZWFR-UHFFFAOYSA-N 2 0 420.342 3.508 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592515409 1074778406 /nfs/dbraw/zinc/77/84/06/1074778406.db2.gz MAGLXWAASCCMRB-UHFFFAOYSA-N 2 0 421.029 3.973 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000593499436 1075204418 /nfs/dbraw/zinc/20/44/18/1075204418.db2.gz XULXGMIBEUMREW-FQEVSTJZSA-N 2 0 400.523 3.569 20 0 HHADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470514 1075250786 /nfs/dbraw/zinc/25/07/86/1075250786.db2.gz RWCBJLKCQRWNOJ-MSOLQXFVSA-N 2 0 404.576 3.832 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000594218799 1075273855 /nfs/dbraw/zinc/27/38/55/1075273855.db2.gz LGPCIRDZPGHALT-LJQANCHMSA-N 2 0 420.001 3.574 20 0 HHADRP COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000594240599 1075275692 /nfs/dbraw/zinc/27/56/92/1075275692.db2.gz KCZJMGJMQHQZCU-UHFFFAOYSA-N 2 0 416.610 3.726 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602277280 1075725881 /nfs/dbraw/zinc/72/58/81/1075725881.db2.gz JIJLEHDRFGZZFS-HSZRJFAPSA-N 2 0 402.586 3.948 20 0 HHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164429393 718948321 /nfs/dbraw/zinc/94/83/21/718948321.db2.gz OQZOYKFHDKDUEI-VQTJNVASSA-N 2 0 416.903 3.732 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164711726 720136918 /nfs/dbraw/zinc/13/69/18/720136918.db2.gz IMVSABGCFFHKHJ-FQEVSTJZSA-N 2 0 405.546 3.774 20 0 HHADRP COc1cc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OC ZINC001164856185 720966862 /nfs/dbraw/zinc/96/68/62/720966862.db2.gz CFFOAJMYWBLJDB-INIZCTEOSA-N 2 0 409.534 3.870 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164792137 721489052 /nfs/dbraw/zinc/48/90/52/721489052.db2.gz HEFLUCBXVMZOJD-UHFFFAOYSA-N 2 0 406.578 3.661 20 0 HHADRP FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906806 721715251 /nfs/dbraw/zinc/71/52/51/721715251.db2.gz OLUJKKIETRYWIC-JOCHJYFZSA-N 2 0 413.516 3.815 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)Cc2cccc(OC)n2)CC1 ZINC000542146645 1013081651 /nfs/dbraw/zinc/08/16/51/1013081651.db2.gz JCWMZASKVOHJSQ-QZTJIDSGSA-N 2 0 400.542 3.653 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011471 971453019 /nfs/dbraw/zinc/45/30/19/971453019.db2.gz OUWUOBACPOXMOY-SXWKCWPCSA-N 2 0 400.611 3.696 20 0 HHADRP c1cc([C@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219693 971566462 /nfs/dbraw/zinc/56/64/62/971566462.db2.gz RKRSXOUGVWGPHL-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303479926 971779679 /nfs/dbraw/zinc/77/96/79/971779679.db2.gz PQJDXVHELGOGKN-SNWXZZBVSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303494117 971791903 /nfs/dbraw/zinc/79/19/03/971791903.db2.gz SVILFTRQSVYGTE-MYJTWYDDSA-N 2 0 412.622 3.848 20 0 HHADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494550 971792643 /nfs/dbraw/zinc/79/26/43/971792643.db2.gz SWQWVTYAFPRBFC-QILAJZQNSA-N 2 0 418.585 3.540 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520125 971821392 /nfs/dbraw/zinc/82/13/92/971821392.db2.gz YVVZSEKSURFMEE-HYBUGGRVSA-N 2 0 424.589 3.652 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000303724929 971978662 /nfs/dbraw/zinc/97/86/62/971978662.db2.gz SMMJHYSFLHGNTF-XMMPIXPASA-N 2 0 408.590 3.641 20 0 HHADRP C[NH+](C)CCOC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000537630332 1013184291 /nfs/dbraw/zinc/18/42/91/1013184291.db2.gz PZYJAMSJLVRSPC-UHFFFAOYSA-N 2 0 419.573 3.536 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000537647098 1013208003 /nfs/dbraw/zinc/20/80/03/1013208003.db2.gz OHBQRMHUDQKDDF-HXUWFJFHSA-N 2 0 421.383 3.568 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000537660066 1013220658 /nfs/dbraw/zinc/22/06/58/1013220658.db2.gz XGDXKXVMTOQTCV-HDICACEKSA-N 2 0 400.542 3.927 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@@H](C)O1 ZINC000537660768 1013221530 /nfs/dbraw/zinc/22/15/30/1013221530.db2.gz GPQDMTPKOWGLNV-RTBURBONSA-N 2 0 400.542 3.723 20 0 HHADRP CC(C)[NH+](C)CC1CCN(c2cncc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2)CC1 ZINC000553291862 1013249309 /nfs/dbraw/zinc/24/93/09/1013249309.db2.gz MGYARZSTNZGXHW-UHFFFAOYSA-N 2 0 416.658 3.590 20 0 HHADRP COc1ccc([C@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)N2CCCCC2)cc1 ZINC000542320111 1013275874 /nfs/dbraw/zinc/27/58/74/1013275874.db2.gz UBWDGEHIMJZOCS-DEOSSOPVSA-N 2 0 405.546 3.901 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000553350129 1013292859 /nfs/dbraw/zinc/29/28/59/1013292859.db2.gz DJRXBXHHCKEJAV-QHCPKHFHSA-N 2 0 409.574 3.756 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000537750800 1013314112 /nfs/dbraw/zinc/31/41/12/1013314112.db2.gz AIHYVISEWKZRNK-UHFFFAOYSA-N 2 0 423.992 3.669 20 0 HHADRP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542395494 1013349162 /nfs/dbraw/zinc/34/91/62/1013349162.db2.gz XVKXJCWWTPWYGC-CCDWMCETSA-N 2 0 421.585 3.642 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445870 1013360011 /nfs/dbraw/zinc/36/00/11/1013360011.db2.gz FQHMGOJIVWTJSM-RCZVLFRGSA-N 2 0 412.622 3.949 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1)CC1CC1 ZINC000537807720 1013369374 /nfs/dbraw/zinc/36/93/74/1013369374.db2.gz GKPDFGZDJFDKDG-UHFFFAOYSA-N 2 0 404.643 3.937 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000537818929 1013382149 /nfs/dbraw/zinc/38/21/49/1013382149.db2.gz WDENZVSRODFQLL-UHFFFAOYSA-N 2 0 400.611 3.792 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000537841438 1013403277 /nfs/dbraw/zinc/40/32/77/1013403277.db2.gz LLJXFXPDEMCWTQ-XMMPIXPASA-N 2 0 406.574 3.814 20 0 HHADRP COc1ccc(-c2noc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000537842735 1013404332 /nfs/dbraw/zinc/40/43/32/1013404332.db2.gz CBYUCHRFLHEQAC-UHFFFAOYSA-N 2 0 407.518 3.879 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000537847331 1013412908 /nfs/dbraw/zinc/41/29/08/1013412908.db2.gz QXJIIISYYOSLJK-QGZVFWFLSA-N 2 0 401.551 3.576 20 0 HHADRP C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC000057273983 965380815 /nfs/dbraw/zinc/38/08/15/965380815.db2.gz PGNCCERKFUVALT-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)([NH+](C)C)C1 ZINC000057849097 965562179 /nfs/dbraw/zinc/56/21/79/965562179.db2.gz LQARXBHCAAPADI-WZONZLPQSA-N 2 0 404.574 3.600 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000030665297 965760505 /nfs/dbraw/zinc/76/05/05/965760505.db2.gz AFYNZBIFIUQFHC-HSZRJFAPSA-N 2 0 418.029 3.563 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058879975 965937651 /nfs/dbraw/zinc/93/76/51/965937651.db2.gz VEZIQJMSBXCQGI-NRFANRHFSA-N 2 0 415.528 3.767 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031239920 965949753 /nfs/dbraw/zinc/94/97/53/965949753.db2.gz BMYCSGCIFWDIMZ-UHFFFAOYSA-N 2 0 420.601 3.615 20 0 HHADRP Fc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000542702702 1013618302 /nfs/dbraw/zinc/61/83/02/1013618302.db2.gz QJUJKGJOJSTBFN-UHFFFAOYSA-N 2 0 404.448 3.844 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C(C)(C)C)CC3)cc2)C1 ZINC000060545135 966197736 /nfs/dbraw/zinc/19/77/36/966197736.db2.gz NVQLPNMOPTVQFK-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058375 1013634925 /nfs/dbraw/zinc/63/49/25/1013634925.db2.gz AIDKONYGMWQVMI-CEXWTWQISA-N 2 0 415.603 3.663 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000056846307 966490678 /nfs/dbraw/zinc/49/06/78/966490678.db2.gz YXALWGDNJCORFS-UHFFFAOYSA-N 2 0 400.567 3.702 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000056845850 966490951 /nfs/dbraw/zinc/49/09/51/966490951.db2.gz VYGSNXKLXBWKQP-UHFFFAOYSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061553379 966499309 /nfs/dbraw/zinc/49/93/09/966499309.db2.gz JFCJYTUMPJNEAQ-HXUWFJFHSA-N 2 0 406.574 3.528 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542750839 1013659859 /nfs/dbraw/zinc/65/98/59/1013659859.db2.gz NYVHFBANXKQSIA-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP C[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)Cc1ccccc1 ZINC000061791166 966555838 /nfs/dbraw/zinc/55/58/38/966555838.db2.gz JUNNMVVNKZVZSG-UHFFFAOYSA-N 2 0 412.603 3.531 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000061793170 966556822 /nfs/dbraw/zinc/55/68/22/966556822.db2.gz YXPUUTBZWGTHLX-UHFFFAOYSA-N 2 0 412.603 3.661 20 0 HHADRP CC(C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000061902119 966578484 /nfs/dbraw/zinc/57/84/84/966578484.db2.gz KQALWXNUKOMHAA-QHCPKHFHSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000062528151 966698382 /nfs/dbraw/zinc/69/83/82/966698382.db2.gz BUVDFZFYALBERO-FQEVSTJZSA-N 2 0 412.622 3.777 20 0 HHADRP C[NH+](C)CCN(CCc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149264 966763040 /nfs/dbraw/zinc/76/30/40/966763040.db2.gz NJHISEPRBXDXJC-UHFFFAOYSA-N 2 0 424.658 3.632 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149314 966763049 /nfs/dbraw/zinc/76/30/49/966763049.db2.gz XPPSATQUGDNFJQ-UHFFFAOYSA-N 2 0 404.668 3.825 20 0 HHADRP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)NCC[NH+](C)C)[NH+](C)C ZINC000063179179 966768223 /nfs/dbraw/zinc/76/82/23/966768223.db2.gz KSVMIAQKSSSSNV-GOSISDBHSA-N 2 0 419.466 3.818 20 0 HHADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000553883000 1013675638 /nfs/dbraw/zinc/67/56/38/1013675638.db2.gz ZWBCFLBOIBZZPR-GHTZIAJQSA-N 2 0 419.013 3.820 20 0 HHADRP Cc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441427 966858594 /nfs/dbraw/zinc/85/85/94/966858594.db2.gz PVQZREYRYWAENH-UHFFFAOYSA-O 2 0 410.607 3.830 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042909348 966868350 /nfs/dbraw/zinc/86/83/50/966868350.db2.gz CUOQYEMHLWPLJI-UHFFFAOYSA-N 2 0 404.599 3.516 20 0 HHADRP CC(C)C[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000063661780 966920733 /nfs/dbraw/zinc/92/07/33/966920733.db2.gz KKJRISUEDCQRFN-UHFFFAOYSA-N 2 0 413.528 3.964 20 0 HHADRP Cn1cnc2cc(C[NH2+]Cc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)ccc21 ZINC000538126152 1013688065 /nfs/dbraw/zinc/68/80/65/1013688065.db2.gz UYHYDEZKYKVEEP-UHFFFAOYSA-N 2 0 417.479 3.634 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000043799824 967036545 /nfs/dbraw/zinc/03/65/45/967036545.db2.gz QZUSIKDPUIUNFF-OAQYLSRUSA-N 2 0 415.607 3.705 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)c2)CC1 ZINC000542833828 1013697654 /nfs/dbraw/zinc/69/76/54/1013697654.db2.gz ANSABDQZROULCL-UHFFFAOYSA-N 2 0 410.562 3.549 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000064229449 967095112 /nfs/dbraw/zinc/09/51/12/967095112.db2.gz BDKBYGDAKVZJHK-UHFFFAOYSA-N 2 0 400.542 3.551 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064251146 967105386 /nfs/dbraw/zinc/10/53/86/967105386.db2.gz KCZODRZCPWRMTR-UHFFFAOYSA-N 2 0 418.651 3.868 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000542847716 1013706626 /nfs/dbraw/zinc/70/66/26/1013706626.db2.gz XBZSZNDXYVWMBJ-JWQCQUIFSA-N 2 0 402.542 3.507 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064643945 967256795 /nfs/dbraw/zinc/25/67/95/967256795.db2.gz AWUYIVCTFGSTJU-FQEVSTJZSA-N 2 0 400.592 3.521 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644570 967258899 /nfs/dbraw/zinc/25/88/99/967258899.db2.gz RQAKVUOBNUXRDY-RXVVDRJESA-N 2 0 400.592 3.562 20 0 HHADRP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000064940860 967333254 /nfs/dbraw/zinc/33/32/54/967333254.db2.gz JNJYUVICXFLJCZ-TZIWHRDSSA-N 2 0 415.578 3.679 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553955487 1013721829 /nfs/dbraw/zinc/72/18/29/1013721829.db2.gz RNDBCWMPAWEDKL-RUZDIDTESA-N 2 0 410.606 3.701 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000065518324 967503788 /nfs/dbraw/zinc/50/37/88/967503788.db2.gz GMIHCFQJUCYUAF-QHCPKHFHSA-N 2 0 400.611 3.710 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065519143 967503835 /nfs/dbraw/zinc/50/38/35/967503835.db2.gz NZNLOJKZKXHGRQ-ZDXQCDESSA-N 2 0 414.638 3.956 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000065549986 967514291 /nfs/dbraw/zinc/51/42/91/967514291.db2.gz ZKUANFUXVPVZMK-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000538213589 1013765808 /nfs/dbraw/zinc/76/58/08/1013765808.db2.gz HAIGVKVZFAMDSV-UHFFFAOYSA-N 2 0 401.938 3.636 20 0 HHADRP O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226335 1013775555 /nfs/dbraw/zinc/77/55/55/1013775555.db2.gz PQAJTLSASWUTKG-ZCYQVOJMSA-N 2 0 421.585 3.656 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000542948177 1013780664 /nfs/dbraw/zinc/78/06/64/1013780664.db2.gz PHPQTKKRMMDWNV-KRWDZBQOSA-N 2 0 406.546 3.696 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000554109105 1013801759 /nfs/dbraw/zinc/80/17/59/1013801759.db2.gz MGTIXQYVWDLDJI-MJGOQNOKSA-N 2 0 420.001 3.572 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000554181579 1013841002 /nfs/dbraw/zinc/84/10/02/1013841002.db2.gz CLEBTKZIOYYRMG-UHFFFAOYSA-N 2 0 424.614 3.626 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000072049459 968959201 /nfs/dbraw/zinc/95/92/01/968959201.db2.gz SXNSPSMJXJWROR-FQEVSTJZSA-N 2 0 400.592 3.836 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccs1 ZINC000072049450 968959381 /nfs/dbraw/zinc/95/93/81/968959381.db2.gz YIXLDEVAXXYVDY-LJQANCHMSA-N 2 0 418.632 3.764 20 0 HHADRP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000097549221 969157939 /nfs/dbraw/zinc/15/79/39/969157939.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 2 0 423.576 3.719 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554237514 1013867266 /nfs/dbraw/zinc/86/72/66/1013867266.db2.gz KTMNVVZBVILLAS-APZTZJSISA-N 2 0 404.986 3.744 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000108596995 969398037 /nfs/dbraw/zinc/39/80/37/969398037.db2.gz WNGWFMREWRNHSF-FQEVSTJZSA-N 2 0 409.574 3.789 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554259101 1013880676 /nfs/dbraw/zinc/88/06/76/1013880676.db2.gz BGEUWRNNUZZKRW-HXUWFJFHSA-N 2 0 402.539 3.563 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000109900685 969589800 /nfs/dbraw/zinc/58/98/00/969589800.db2.gz YIHIUSKYCCNZCT-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000111192376 969797720 /nfs/dbraw/zinc/79/77/20/969797720.db2.gz BTTKIYRCRIYDQX-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000116393336 969890461 /nfs/dbraw/zinc/89/04/61/969890461.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 2 0 420.601 3.842 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437219 969894928 /nfs/dbraw/zinc/89/49/28/969894928.db2.gz WJRANRZSEVPQCD-JOCHJYFZSA-N 2 0 424.614 3.790 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000228631475 970125517 /nfs/dbraw/zinc/12/55/17/970125517.db2.gz DUBYFEPKEWWISM-TZIWHRDSSA-N 2 0 411.512 3.678 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000236591770 970144283 /nfs/dbraw/zinc/14/42/83/970144283.db2.gz BQEZHRRIUBQMIW-UHFFFAOYSA-N 2 0 422.392 3.626 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000142198918 970145779 /nfs/dbraw/zinc/14/57/79/970145779.db2.gz LFPDSPXIYHAADE-IBGZPJMESA-N 2 0 406.640 3.771 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)N1CC[NH+](C)CC1 ZINC000236703407 970159550 /nfs/dbraw/zinc/15/95/50/970159550.db2.gz MLJUJDWAMYWDPK-XMMPIXPASA-N 2 0 409.622 3.587 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000236799088 970173258 /nfs/dbraw/zinc/17/32/58/970173258.db2.gz PRRYJSAGTQFEKC-UHFFFAOYSA-N 2 0 408.590 3.872 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2CN2CCCC2=O)CC1 ZINC000236814119 970175473 /nfs/dbraw/zinc/17/54/73/970175473.db2.gz UERNPCWJFNLARX-UHFFFAOYSA-N 2 0 420.601 3.631 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236849606 970180086 /nfs/dbraw/zinc/18/00/86/970180086.db2.gz NSUWXKXJVRGPFE-HXUWFJFHSA-N 2 0 423.630 3.776 20 0 HHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000236940140 970190772 /nfs/dbraw/zinc/19/07/72/970190772.db2.gz DQKMOZFPJFEVJE-UHFFFAOYSA-N 2 0 421.992 3.540 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236948094 970192681 /nfs/dbraw/zinc/19/26/81/970192681.db2.gz YRNYRLKSWPKREC-SFHVURJKSA-N 2 0 418.029 3.565 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000236973362 970197700 /nfs/dbraw/zinc/19/77/00/970197700.db2.gz WVMRJMQNWSOLGX-IBGZPJMESA-N 2 0 415.553 3.529 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000236984334 970200157 /nfs/dbraw/zinc/20/01/57/970200157.db2.gz OMOQNTUZPDEVBM-KRWDZBQOSA-N 2 0 401.526 3.836 20 0 HHADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000237116111 970225478 /nfs/dbraw/zinc/22/54/78/970225478.db2.gz IXPRQWSGCDNJSH-UHFFFAOYSA-N 2 0 415.553 3.529 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000237170136 970235167 /nfs/dbraw/zinc/23/51/67/970235167.db2.gz LCWKWGPUYZYZTI-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237170380 970235200 /nfs/dbraw/zinc/23/52/00/970235200.db2.gz KLHAFIZCIYEQIJ-UHFFFAOYSA-N 2 0 409.603 3.716 20 0 HHADRP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000237195334 970239864 /nfs/dbraw/zinc/23/98/64/970239864.db2.gz QPKQHXYKFISHAT-UHFFFAOYSA-N 2 0 417.347 3.691 20 0 HHADRP COc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000237349904 970268341 /nfs/dbraw/zinc/26/83/41/970268341.db2.gz PHYKVVHQBGMPOG-DEOSSOPVSA-N 2 0 421.585 3.660 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000237387546 970275803 /nfs/dbraw/zinc/27/58/03/970275803.db2.gz HEYJHUIXAIJMCJ-SFHVURJKSA-N 2 0 418.029 3.932 20 0 HHADRP C[C@@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)CN1CC[NH+](C)CC1 ZINC000237431557 970284792 /nfs/dbraw/zinc/28/47/92/970284792.db2.gz LCJURHMBGPIAMM-HNNXBMFYSA-N 2 0 423.424 3.546 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000237502003 970302632 /nfs/dbraw/zinc/30/26/32/970302632.db2.gz YBACFLBCVBDYPH-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000237589279 970318075 /nfs/dbraw/zinc/31/80/75/970318075.db2.gz QMSNCGHWGOIXSH-HXUWFJFHSA-N 2 0 421.564 3.652 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000237610273 970322247 /nfs/dbraw/zinc/32/22/47/970322247.db2.gz GYAQZGFDVRFXHH-KDURUIRLSA-N 2 0 417.594 3.963 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237665494 970334419 /nfs/dbraw/zinc/33/44/19/970334419.db2.gz PPDJFJNAXMHSHE-LJQANCHMSA-N 2 0 423.992 3.918 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237685046 970338720 /nfs/dbraw/zinc/33/87/20/970338720.db2.gz MWOHPWMBQZYQNX-LJQANCHMSA-N 2 0 404.986 3.777 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000148996566 970377295 /nfs/dbraw/zinc/37/72/95/970377295.db2.gz XFLGSDMQDAZRGA-VQIMIIECSA-N 2 0 406.621 3.624 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-n4cncn4)c(C)c3)CC2)c1 ZINC000237856463 970383401 /nfs/dbraw/zinc/38/34/01/970383401.db2.gz UANKGRLURDPDOH-UHFFFAOYSA-N 2 0 418.589 3.576 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)C1 ZINC000237917025 970394397 /nfs/dbraw/zinc/39/43/97/970394397.db2.gz JWYWCNUGLRFQQT-LJQANCHMSA-N 2 0 405.464 3.693 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000150167132 970431581 /nfs/dbraw/zinc/43/15/81/970431581.db2.gz VBLNORNNXIAXLI-UHFFFAOYSA-N 2 0 400.611 3.710 20 0 HHADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000397579352 972871698 /nfs/dbraw/zinc/87/16/98/972871698.db2.gz DKEQBCVXRZJVPD-UHFFFAOYSA-N 2 0 419.363 3.574 20 0 HHADRP CCc1ccc([C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000409573813 973022697 /nfs/dbraw/zinc/02/26/97/973022697.db2.gz GZWUVLMFYGRJAV-VWLOTQADSA-N 2 0 422.617 3.570 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000410311619 973854455 /nfs/dbraw/zinc/85/44/55/973854455.db2.gz XZGZHUUHBSHHAW-HSZRJFAPSA-N 2 0 400.611 3.503 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+](C)C)c1 ZINC000410313909 973857357 /nfs/dbraw/zinc/85/73/57/973857357.db2.gz AXFGFLUXJPSGTH-XMMPIXPASA-N 2 0 424.589 3.570 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000410327438 973889390 /nfs/dbraw/zinc/88/93/90/973889390.db2.gz UQXMLYOMQVCPRW-UHFFFAOYSA-N 2 0 402.627 3.969 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410335316 973916031 /nfs/dbraw/zinc/91/60/31/973916031.db2.gz OTBLKSCVJBFHQI-NRFANRHFSA-N 2 0 400.611 3.982 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000410338260 973922254 /nfs/dbraw/zinc/92/22/54/973922254.db2.gz NGNVNCOSBMQFTM-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000410353442 973944146 /nfs/dbraw/zinc/94/41/46/973944146.db2.gz LTSNLROUVHHJPR-FQEVSTJZSA-N 2 0 408.590 3.980 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000410355773 973947856 /nfs/dbraw/zinc/94/78/56/973947856.db2.gz SSJJEQTWMNKAPB-HXUWFJFHSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974877 /nfs/dbraw/zinc/97/48/77/973974877.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CCC(F)(F)F ZINC000426002403 974117514 /nfs/dbraw/zinc/11/75/14/974117514.db2.gz FQVXJQVJOQHZNQ-GOSISDBHSA-N 2 0 406.537 3.558 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426019606 974139351 /nfs/dbraw/zinc/13/93/51/974139351.db2.gz FTPUQGVKQMEWMB-CVDCTZTESA-N 2 0 400.998 3.882 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000426122913 974245922 /nfs/dbraw/zinc/24/59/22/974245922.db2.gz KODXZLKNOBTKHK-NRFANRHFSA-N 2 0 400.567 3.643 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000426769402 974646092 /nfs/dbraw/zinc/64/60/92/974646092.db2.gz INOZKHQPWPOAFB-WOJBJXKFSA-N 2 0 412.578 3.881 20 0 HHADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426795563 974665924 /nfs/dbraw/zinc/66/59/24/974665924.db2.gz XYLSJIMAARJIQT-YUMYIRISSA-N 2 0 415.622 3.506 20 0 HHADRP Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427932121 975355855 /nfs/dbraw/zinc/35/58/55/975355855.db2.gz NWBFKILDZOAQKM-JOCHJYFZSA-N 2 0 409.578 3.697 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428638243 975940133 /nfs/dbraw/zinc/94/01/33/975940133.db2.gz FVYBAYNKDMDTLY-GIWBLDEGSA-N 2 0 400.611 3.993 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000428643787 975945283 /nfs/dbraw/zinc/94/52/83/975945283.db2.gz RUXYUPJVHQLNMD-GIWBLDEGSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)C[NH+](C)C ZINC000428963657 976252390 /nfs/dbraw/zinc/25/23/90/976252390.db2.gz FNGMHFNARZPDRI-KRWDZBQOSA-N 2 0 409.018 3.828 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596530 /nfs/dbraw/zinc/59/65/30/976596530.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 2 0 421.585 3.692 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494180 976751992 /nfs/dbraw/zinc/75/19/92/976751992.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 2 0 400.611 3.584 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678935 976975275 /nfs/dbraw/zinc/97/52/75/976975275.db2.gz BLPJKEPHOIHEND-IZZNHLLZSA-N 2 0 407.602 3.731 20 0 HHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429690605 976983251 /nfs/dbraw/zinc/98/32/51/976983251.db2.gz SNYBFELEBWJQKM-BVYCBKJFSA-N 2 0 403.636 3.810 20 0 HHADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000430945565 977906354 /nfs/dbraw/zinc/90/63/54/977906354.db2.gz RRFUNNSWRXMVOO-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431056865 977986008 /nfs/dbraw/zinc/98/60/08/977986008.db2.gz FPCDKRZROBBKJN-UGKGYDQZSA-N 2 0 410.562 3.802 20 0 HHADRP Cc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431150139 978051753 /nfs/dbraw/zinc/05/17/53/978051753.db2.gz NEBFOTIGQULADH-UHFFFAOYSA-N 2 0 416.614 3.578 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322755 978207792 /nfs/dbraw/zinc/20/77/92/978207792.db2.gz YAEIUTZBPVZTKC-QPPBQGQZSA-N 2 0 420.601 3.611 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322756 978207880 /nfs/dbraw/zinc/20/78/80/978207880.db2.gz YAEIUTZBPVZTKC-URXFXBBRSA-N 2 0 420.601 3.611 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C(F)(F)F)C1 ZINC000431947551 978613903 /nfs/dbraw/zinc/61/39/03/978613903.db2.gz AEHBKHHRBIMFDP-RTBURBONSA-N 2 0 411.512 3.807 20 0 HHADRP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050379 979052324 /nfs/dbraw/zinc/05/23/24/979052324.db2.gz BKTJMXVVYUSIKI-JOCHJYFZSA-N 2 0 405.586 3.722 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433346884 979252908 /nfs/dbraw/zinc/25/29/08/979252908.db2.gz IVNXOOTYFFDEPV-SFHVURJKSA-N 2 0 412.553 3.520 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433365967 979257772 /nfs/dbraw/zinc/25/77/72/979257772.db2.gz QYHDLTSTRRSLGG-QFIPXVFZSA-N 2 0 414.594 3.573 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1)C(C)C ZINC000433541332 979368493 /nfs/dbraw/zinc/36/84/93/979368493.db2.gz XTVZHTMAIWAWBY-UHFFFAOYSA-N 2 0 414.638 3.548 20 0 HHADRP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092859 980633033 /nfs/dbraw/zinc/63/30/33/980633033.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 2 0 424.593 3.634 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435747616 981014434 /nfs/dbraw/zinc/01/44/34/981014434.db2.gz AADQNZBZVHKRFJ-NRFANRHFSA-N 2 0 413.610 3.747 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448205135 981617266 /nfs/dbraw/zinc/61/72/66/981617266.db2.gz NZLDJRFAAGTBIS-NYEZAAIKSA-N 2 0 422.617 3.840 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448208013 981621485 /nfs/dbraw/zinc/62/14/85/981621485.db2.gz CXTQJFUACIWNCQ-HSZRJFAPSA-N 2 0 400.611 3.566 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448460555 981793974 /nfs/dbraw/zinc/79/39/74/981793974.db2.gz CTSVCKMCWCSVPX-UFYCRDLUSA-N 2 0 406.640 3.893 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000448464803 981798831 /nfs/dbraw/zinc/79/88/31/981798831.db2.gz GBZSIBCAHYRBRP-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819138 /nfs/dbraw/zinc/81/91/38/981819138.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000448519300 981845396 /nfs/dbraw/zinc/84/53/96/981845396.db2.gz CUORAGNBGADUMG-PGRDOPGGSA-N 2 0 421.029 3.924 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000448521132 981849884 /nfs/dbraw/zinc/84/98/84/981849884.db2.gz NDXLWKGTFKTNFZ-PTLNGURQSA-N 2 0 400.611 3.515 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460171634 981943544 /nfs/dbraw/zinc/94/35/44/981943544.db2.gz XBOGKMBPXIFDQY-JRFVFWCSSA-N 2 0 412.622 3.662 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460171636 981943967 /nfs/dbraw/zinc/94/39/67/981943967.db2.gz XBOGKMBPXIFDQY-NHTMILBNSA-N 2 0 412.622 3.662 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460411772 982195531 /nfs/dbraw/zinc/19/55/31/982195531.db2.gz ZZPCAEVNFWPCTH-PKTZIBPZSA-N 2 0 424.633 3.947 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000437634696 982254998 /nfs/dbraw/zinc/25/49/98/982254998.db2.gz MPUJVGXGXTVSLS-QHCPKHFHSA-N 2 0 416.585 3.886 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000437675991 982290294 /nfs/dbraw/zinc/29/02/94/982290294.db2.gz SLQSCTDIRSUQIU-QGZVFWFLSA-N 2 0 411.388 3.637 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000437732769 982325059 /nfs/dbraw/zinc/32/50/59/982325059.db2.gz FLYYLBXQHGPHJQ-OAHLLOKOSA-N 2 0 416.488 3.594 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347303 /nfs/dbraw/zinc/34/73/03/982347303.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 2 0 418.585 3.595 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348440 982737160 /nfs/dbraw/zinc/73/71/60/982737160.db2.gz XLWIKHURNJUQQJ-OAQYLSRUSA-N 2 0 402.583 3.683 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000438833577 983103749 /nfs/dbraw/zinc/10/37/49/983103749.db2.gz XUHBPXZAJVLESD-WNZNVHFWSA-N 2 0 407.602 3.655 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(Br)s3)C3CC3)cn2)CC1 ZINC000439134604 983267449 /nfs/dbraw/zinc/26/74/49/983267449.db2.gz OIMCEKNNZOQPLH-IBGZPJMESA-N 2 0 421.408 3.898 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000439196009 983304013 /nfs/dbraw/zinc/30/40/13/983304013.db2.gz DCGVTSXHIHOQGX-IBGZPJMESA-N 2 0 413.610 3.703 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230503 983320763 /nfs/dbraw/zinc/32/07/63/983320763.db2.gz SAOLMVHWKIZKHE-UYAOXDASSA-N 2 0 400.592 3.657 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000439345585 983374116 /nfs/dbraw/zinc/37/41/16/983374116.db2.gz SDMITYKXVUWRIZ-UHFFFAOYSA-N 2 0 420.648 3.795 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+]2CCCC2)o1 ZINC000439349570 983375177 /nfs/dbraw/zinc/37/51/77/983375177.db2.gz ZEBFCVHYXWZBFH-LJQANCHMSA-N 2 0 404.580 3.560 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000439409692 983397964 /nfs/dbraw/zinc/39/79/64/983397964.db2.gz KAHFSBFAFCFBNS-UHFFFAOYSA-N 2 0 406.537 3.699 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756936 983526567 /nfs/dbraw/zinc/52/65/67/983526567.db2.gz MHWIRZRWXYTKCW-SIKLNZKXSA-N 2 0 424.564 3.775 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765063 983529504 /nfs/dbraw/zinc/52/95/04/983529504.db2.gz DRKCYOLPWHJVDG-NFBKMPQASA-N 2 0 406.574 3.635 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765067 983529598 /nfs/dbraw/zinc/52/95/98/983529598.db2.gz DRKCYOLPWHJVDG-OFNKIYASSA-N 2 0 406.574 3.635 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194381 983678212 /nfs/dbraw/zinc/67/82/12/983678212.db2.gz YMFPHFIEHLBMOJ-CYFREDJKSA-N 2 0 423.605 3.772 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)cc2)CC1 ZINC000440334023 983726560 /nfs/dbraw/zinc/72/65/60/983726560.db2.gz CFJLUMOHHXTYAW-UHFFFAOYSA-N 2 0 407.587 3.632 20 0 HHADRP C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072107 984056163 /nfs/dbraw/zinc/05/61/63/984056163.db2.gz SALUYFFGHPQJSN-DCFHFQCYSA-N 2 0 417.597 3.808 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252901 984139595 /nfs/dbraw/zinc/13/95/95/984139595.db2.gz GZYDKDGXHWNTGZ-XYPHTWIQSA-N 2 0 400.350 3.506 20 0 HHADRP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@@H]1CCCC[NH+]1C ZINC000441356760 984204803 /nfs/dbraw/zinc/20/48/03/984204803.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 2 0 400.336 3.723 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cc2)c1 ZINC000441389418 984225717 /nfs/dbraw/zinc/22/57/17/984225717.db2.gz ZKZUCCMTGTXLMM-UHFFFAOYSA-N 2 0 413.562 3.612 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630214 984364230 /nfs/dbraw/zinc/36/42/30/984364230.db2.gz XULSZRPVAFZLKK-CWDLOFLHSA-N 2 0 408.586 3.895 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000442245149 984766785 /nfs/dbraw/zinc/76/67/85/984766785.db2.gz QWRURJQPPLLGKM-IRSIHTCSSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)c1 ZINC000461958210 984950739 /nfs/dbraw/zinc/95/07/39/984950739.db2.gz MHUVMTAVFWJLRG-UHFFFAOYSA-N 2 0 420.601 3.784 20 0 HHADRP CCCN(CC[NH+](CC)CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000461990646 984973245 /nfs/dbraw/zinc/97/32/45/984973245.db2.gz GILPNWZWHFRALK-NOTZXAQLSA-N 2 0 400.611 3.945 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000462126106 985096272 /nfs/dbraw/zinc/09/62/72/985096272.db2.gz MTTIHNXRYHMDSI-FPOVZHCZSA-N 2 0 400.592 3.692 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442627706 985103574 /nfs/dbraw/zinc/10/35/74/985103574.db2.gz RHYUIXIGOOGTDA-UHFFFAOYSA-N 2 0 416.610 3.932 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1(C)C ZINC000442869690 985252701 /nfs/dbraw/zinc/25/27/01/985252701.db2.gz FAQYJGJHSSZLPT-NRFANRHFSA-N 2 0 403.517 3.993 20 0 HHADRP COCCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871882 985253314 /nfs/dbraw/zinc/25/33/14/985253314.db2.gz IPYNETYQDCCLOB-IBGZPJMESA-N 2 0 412.416 3.532 20 0 HHADRP CC[NH+](CC)CCOc1ccc(-c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)cc1OC ZINC000443199199 985439464 /nfs/dbraw/zinc/43/94/64/985439464.db2.gz DABKEJPPDUMHQG-IRXDYDNUSA-N 2 0 402.539 3.839 20 0 HHADRP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234609 985455690 /nfs/dbraw/zinc/45/56/90/985455690.db2.gz APJCULLSCFALCU-GBXCKJPGSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000467923667 985556955 /nfs/dbraw/zinc/55/69/55/985556955.db2.gz YRVNOTAVJGKDTA-SZPZYZBQSA-N 2 0 422.573 3.531 20 0 HHADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000467980525 985625538 /nfs/dbraw/zinc/62/55/38/985625538.db2.gz ZCIXFDIJGGGPMO-FYYLOGMGSA-N 2 0 413.606 3.706 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468001372 985650669 /nfs/dbraw/zinc/65/06/69/985650669.db2.gz BGLIDDNBDMIGHI-QNWVGRARSA-N 2 0 400.611 3.879 20 0 HHADRP CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468016407 985669061 /nfs/dbraw/zinc/66/90/61/985669061.db2.gz IUZIMOBHRFUOPV-AUSIDOKSSA-N 2 0 400.611 3.926 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738875 985681675 /nfs/dbraw/zinc/68/16/75/985681675.db2.gz MAENWTQMGOLGRC-WWNPGLIZSA-N 2 0 400.611 3.803 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2ccc(F)cc2)CC1 ZINC000462806496 985738371 /nfs/dbraw/zinc/73/83/71/985738371.db2.gz QGMKGRKQNHWSOT-VXKWHMMOSA-N 2 0 410.599 3.936 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(F)cc2)CC1 ZINC000462819083 985744979 /nfs/dbraw/zinc/74/49/79/985744979.db2.gz WOKPHDWAIXHSJX-NRFANRHFSA-N 2 0 410.599 3.793 20 0 HHADRP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n[nH]1 ZINC000443605014 985783762 /nfs/dbraw/zinc/78/37/62/985783762.db2.gz PIBFQFJKQVWLJX-UHFFFAOYSA-N 2 0 424.593 3.615 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000443636094 985819372 /nfs/dbraw/zinc/81/93/72/985819372.db2.gz BJBJXKZNYHWKFP-VLVHOKLOSA-N 2 0 400.611 3.646 20 0 HHADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000463056263 986013349 /nfs/dbraw/zinc/01/33/49/986013349.db2.gz FENSMCZIUOGPEL-BWKNWUBXSA-N 2 0 406.618 3.827 20 0 HHADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000468377800 986077693 /nfs/dbraw/zinc/07/76/93/986077693.db2.gz RBFPWZVVRCDTSK-OLEQZPESSA-N 2 0 408.590 3.899 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000463238517 986206767 /nfs/dbraw/zinc/20/67/67/986206767.db2.gz QXLBKLRGTQGOSW-LJQANCHMSA-N 2 0 406.492 3.552 20 0 HHADRP Fc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303243 986270587 /nfs/dbraw/zinc/27/05/87/986270587.db2.gz QQFWESJJDOQJAU-SBZWWDHJSA-N 2 0 423.576 3.984 20 0 HHADRP Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000469031701 986742365 /nfs/dbraw/zinc/74/23/65/986742365.db2.gz QHYSKYFGAZMROC-HSZRJFAPSA-N 2 0 422.573 3.878 20 0 HHADRP CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000445219212 987284171 /nfs/dbraw/zinc/28/41/71/987284171.db2.gz RYABECCJVRORMJ-SIKLNZKXSA-N 2 0 400.611 3.926 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2)[C@H](C)C1 ZINC000469761596 987415130 /nfs/dbraw/zinc/41/51/30/987415130.db2.gz AOJCYXCFGXFKNA-QAPCUYQASA-N 2 0 416.347 3.518 20 0 HHADRP CCOc1ccc(OC[C@H](O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469779093 987426934 /nfs/dbraw/zinc/42/69/34/987426934.db2.gz HBHNGYLZYAPFIG-JAXLGGSGSA-N 2 0 412.574 3.571 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000469869181 987506744 /nfs/dbraw/zinc/50/67/44/987506744.db2.gz COOOHTNZUWGDLF-SFHVURJKSA-N 2 0 407.986 3.564 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470025729 987636614 /nfs/dbraw/zinc/63/66/14/987636614.db2.gz ZQVUVWCUHLVDJU-IBGZPJMESA-N 2 0 414.516 3.728 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000470153489 988063472 /nfs/dbraw/zinc/06/34/72/988063472.db2.gz ZMXOTUXAUPHDJJ-KRWDZBQOSA-N 2 0 414.516 3.917 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281505 988236198 /nfs/dbraw/zinc/23/61/98/988236198.db2.gz YJUKZMQLBHQPPF-OALUTQOASA-N 2 0 414.516 3.824 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470282010 988237720 /nfs/dbraw/zinc/23/77/20/988237720.db2.gz CXFHBWWJEWSVKR-IBGZPJMESA-N 2 0 414.516 3.824 20 0 HHADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470472492 988460410 /nfs/dbraw/zinc/46/04/10/988460410.db2.gz GOBUWCDXNRYQJE-OYRHEFFESA-N 2 0 418.626 3.604 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739212 988777103 /nfs/dbraw/zinc/77/71/03/988777103.db2.gz YVDLOCVXPZMXKE-YADHBBJMSA-N 2 0 410.562 3.723 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739840 988777940 /nfs/dbraw/zinc/77/79/40/988777940.db2.gz FZPOZZCUVJEEPB-ISKFKSNPSA-N 2 0 424.589 3.604 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000464825397 989063464 /nfs/dbraw/zinc/06/34/64/989063464.db2.gz WVHJCJMBAJWOJA-NRFANRHFSA-N 2 0 400.611 3.696 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041970 989119153 /nfs/dbraw/zinc/11/91/53/989119153.db2.gz FYJPVILYRQPOGG-AWEZNQCLSA-N 2 0 400.336 3.581 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000464940675 989228829 /nfs/dbraw/zinc/22/88/29/989228829.db2.gz DJXMBGRUULCJAK-HXUWFJFHSA-N 2 0 421.029 3.829 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465010363 989326081 /nfs/dbraw/zinc/32/60/81/989326081.db2.gz NWHRCRANXMYSFW-LJQANCHMSA-N 2 0 407.002 3.582 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000465403641 989751423 /nfs/dbraw/zinc/75/14/23/989751423.db2.gz HRICDWLJPNTZLJ-HSZRJFAPSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000471551772 989752585 /nfs/dbraw/zinc/75/25/85/989752585.db2.gz OBQFNMYASWSULD-UHFFFAOYSA-N 2 0 410.345 3.914 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425852 989769579 /nfs/dbraw/zinc/76/95/79/989769579.db2.gz BZODTCGPBKYXDR-QFBILLFUSA-N 2 0 414.516 3.824 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429443 989774307 /nfs/dbraw/zinc/77/43/07/989774307.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 2 0 420.601 3.815 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000465433167 989779434 /nfs/dbraw/zinc/77/94/34/989779434.db2.gz MMPJQOSJAHKPDJ-NXEWRWPSSA-N 2 0 404.624 3.836 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000471591492 989795013 /nfs/dbraw/zinc/79/50/13/989795013.db2.gz WGOZVKCWIMYNMI-APWZRJJASA-N 2 0 402.583 3.942 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471596822 989799793 /nfs/dbraw/zinc/79/97/93/989799793.db2.gz MIRQYCDPQHQWOO-PLQXJYEYSA-N 2 0 420.601 3.802 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000465562913 989929623 /nfs/dbraw/zinc/92/96/23/989929623.db2.gz GETNTUAXPPWKLK-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000465570477 989938883 /nfs/dbraw/zinc/93/88/83/989938883.db2.gz JDQXTOQHZHGSPB-HSZRJFAPSA-N 2 0 400.611 3.934 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000465570478 989939264 /nfs/dbraw/zinc/93/92/64/989939264.db2.gz JDQXTOQHZHGSPB-QHCPKHFHSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805571 989988703 /nfs/dbraw/zinc/98/87/03/989988703.db2.gz SUCOQTKFCYDMKO-FGZHOGPDSA-N 2 0 410.562 3.546 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000465609379 989992026 /nfs/dbraw/zinc/99/20/26/989992026.db2.gz UFQFGHITXLLGSU-PZJWPPBQSA-N 2 0 406.640 3.942 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613873 989999575 /nfs/dbraw/zinc/99/95/75/989999575.db2.gz ZRZHCCYOOYCPDA-JTHBVZDNSA-N 2 0 400.611 3.662 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000465680882 990065678 /nfs/dbraw/zinc/06/56/78/990065678.db2.gz GALLJYHJHMMBSH-RKKYOWQMSA-N 2 0 414.594 3.537 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696986 990082928 /nfs/dbraw/zinc/08/29/28/990082928.db2.gz UGINMDCKIVNZCT-DSKINZAPSA-N 2 0 418.582 3.872 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465737788 990123528 /nfs/dbraw/zinc/12/35/28/990123528.db2.gz OIBZSXPSSFKXNJ-KGSLCBSSSA-N 2 0 400.611 3.516 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465753855 990140035 /nfs/dbraw/zinc/14/00/35/990140035.db2.gz KUGNDUZNKYXROR-MQSCRBSSSA-N 2 0 414.638 3.906 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820541 990203420 /nfs/dbraw/zinc/20/34/20/990203420.db2.gz XWPIDDUSNUAZJM-DHIUTWEWSA-N 2 0 424.589 3.888 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000472059329 990223180 /nfs/dbraw/zinc/22/31/80/990223180.db2.gz USQOKSWSUPOSQS-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000472061313 990224901 /nfs/dbraw/zinc/22/49/01/990224901.db2.gz CMGPQJAJKJXUIA-NHCUHLMSSA-N 2 0 400.611 3.660 20 0 HHADRP CN1CCC(CNC(=O)NC(C)(C)CCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465845836 990230074 /nfs/dbraw/zinc/23/00/74/990230074.db2.gz USGABBWEYWCLQW-UHFFFAOYSA-N 2 0 400.611 3.647 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907329 991037228 /nfs/dbraw/zinc/03/72/28/991037228.db2.gz OQHOOEZTWSAFNR-HXUWFJFHSA-N 2 0 407.002 3.678 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000465913948 991046017 /nfs/dbraw/zinc/04/60/17/991046017.db2.gz YNDHWCWLTFMXRD-YLJYHZDGSA-N 2 0 407.002 3.676 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000466092309 991270933 /nfs/dbraw/zinc/27/09/33/991270933.db2.gz LATYQVBTDLXZHY-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215527 991426724 /nfs/dbraw/zinc/42/67/24/991426724.db2.gz GJSHKGGAMBPOHR-UUOWRZLLSA-N 2 0 406.574 3.697 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292545 991542837 /nfs/dbraw/zinc/54/28/37/991542837.db2.gz BPUSNZJOGGEAGK-HXUWFJFHSA-N 2 0 402.583 3.793 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466299160 991550937 /nfs/dbraw/zinc/55/09/37/991550937.db2.gz SJYUFXKSZVDTGP-FQEVSTJZSA-N 2 0 406.640 3.866 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466400987 991694442 /nfs/dbraw/zinc/69/44/42/991694442.db2.gz XOUCBBYPDNSRMM-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466530742 991829285 /nfs/dbraw/zinc/82/92/85/991829285.db2.gz RRIJTJXXWDPZBD-ZJSXRUAMSA-N 2 0 420.601 3.955 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466535604 991836845 /nfs/dbraw/zinc/83/68/45/991836845.db2.gz GSIPPHHJZFMKKV-RDPSFJRHSA-N 2 0 408.590 3.943 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466783726 992091224 /nfs/dbraw/zinc/09/12/24/992091224.db2.gz ZQVQVALMZYVVKJ-HYBUGGRVSA-N 2 0 408.590 3.643 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000466973600 992285340 /nfs/dbraw/zinc/28/53/40/992285340.db2.gz GCLFRLUUUZEQPD-UHFFFAOYSA-N 2 0 408.590 3.776 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467089122 992394911 /nfs/dbraw/zinc/39/49/11/992394911.db2.gz CDCCVLITFFGNTR-OFVILXPXSA-N 2 0 422.617 3.891 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000467093643 992399198 /nfs/dbraw/zinc/39/91/98/992399198.db2.gz HHWPUUFHMCMKQD-UHFFFAOYSA-N 2 0 422.617 3.641 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000467175952 992497175 /nfs/dbraw/zinc/49/71/75/992497175.db2.gz LWWIBCKGWIVYTP-AZUAARDMSA-N 2 0 407.624 3.623 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347288 992667696 /nfs/dbraw/zinc/66/76/96/992667696.db2.gz NVRWYAAFKBQVON-XMMPIXPASA-N 2 0 413.537 3.951 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000467354628 992673658 /nfs/dbraw/zinc/67/36/58/992673658.db2.gz NDBXOQVHSAPDSM-WXFUMESZSA-N 2 0 420.601 3.903 20 0 HHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000467426009 992725798 /nfs/dbraw/zinc/72/57/98/992725798.db2.gz UHHGUNFHTDCXHY-PMACEKPBSA-N 2 0 413.400 3.863 20 0 HHADRP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436586 992734377 /nfs/dbraw/zinc/73/43/77/992734377.db2.gz XYINXXNTRBTZFM-WAKWQXKPSA-N 2 0 403.570 3.961 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690242 992946584 /nfs/dbraw/zinc/94/65/84/992946584.db2.gz CNFIYPVAQZIHAK-XXBNENTESA-N 2 0 409.599 3.628 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467836765 993068044 /nfs/dbraw/zinc/06/80/44/993068044.db2.gz RKYNDBSZWWGFGW-GOSISDBHSA-N 2 0 403.592 3.628 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000467838828 993070171 /nfs/dbraw/zinc/07/01/71/993070171.db2.gz KZVYRVCCURVPRU-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000472097437 993148165 /nfs/dbraw/zinc/14/81/65/993148165.db2.gz OCZYNKDXAACVEM-QFIPXVFZSA-N 2 0 416.610 3.740 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc2)cs1 ZINC000472133815 993186037 /nfs/dbraw/zinc/18/60/37/993186037.db2.gz CBUPPTIBGYBGHT-UHFFFAOYSA-N 2 0 402.608 3.536 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000472141121 993196593 /nfs/dbraw/zinc/19/65/93/993196593.db2.gz YLKYECZAVVWWGR-OAHLLOKOSA-N 2 0 423.424 3.688 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000472145520 993200443 /nfs/dbraw/zinc/20/04/43/993200443.db2.gz IOZYEGJQVBDUDT-LJQANCHMSA-N 2 0 413.562 3.612 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000472306800 993319615 /nfs/dbraw/zinc/31/96/15/993319615.db2.gz UXBZDNUBWMZSRB-UHFFFAOYSA-N 2 0 404.624 3.618 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000472670951 993596235 /nfs/dbraw/zinc/59/62/35/993596235.db2.gz ODXGAZRASNHYRV-QGZVFWFLSA-N 2 0 408.384 3.974 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000480730878 993597138 /nfs/dbraw/zinc/59/71/38/993597138.db2.gz QAKAJFXDOKZXAY-QFIPXVFZSA-N 2 0 417.601 3.920 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)c1 ZINC000480741911 993608638 /nfs/dbraw/zinc/60/86/38/993608638.db2.gz PLFCCPDQZBCFAV-LJQANCHMSA-N 2 0 403.368 3.837 20 0 HHADRP CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472695766 993616615 /nfs/dbraw/zinc/61/66/15/993616615.db2.gz CYGRUSNJDLTYER-QFIPXVFZSA-N 2 0 410.562 3.755 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757913 993623810 /nfs/dbraw/zinc/62/38/10/993623810.db2.gz REMDZNYMRAMQOA-GOSISDBHSA-N 2 0 403.592 3.628 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779417 993646027 /nfs/dbraw/zinc/64/60/27/993646027.db2.gz KODJUDJDLOCLRR-OFVILXPXSA-N 2 0 420.601 3.843 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780544 993647277 /nfs/dbraw/zinc/64/72/77/993647277.db2.gz QUMRUYGVYHDMHN-RCXJIHSJSA-N 2 0 407.602 3.869 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792403 993661546 /nfs/dbraw/zinc/66/15/46/993661546.db2.gz BHRQBDPJGLQTOX-YKSBVNFPSA-N 2 0 418.589 3.605 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472765199 993704633 /nfs/dbraw/zinc/70/46/33/993704633.db2.gz CFQDNHUYTMKDBB-NRFANRHFSA-N 2 0 423.605 3.861 20 0 HHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480909958 993766261 /nfs/dbraw/zinc/76/62/61/993766261.db2.gz LLCDDAZPLUBUBI-RBUKOAKNSA-N 2 0 419.591 3.531 20 0 HHADRP CCS[C@H]1CCCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000481023172 993866939 /nfs/dbraw/zinc/86/69/39/993866939.db2.gz XBQSDPDRXZXCMG-QFIPXVFZSA-N 2 0 403.636 3.637 20 0 HHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049809 993891985 /nfs/dbraw/zinc/89/19/85/993891985.db2.gz NTWYNDPLLKTXOJ-PBHICJAKSA-N 2 0 414.331 3.826 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000481295222 994110919 /nfs/dbraw/zinc/11/09/19/994110919.db2.gz NYJBXZWCQBSVRX-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329572 994149201 /nfs/dbraw/zinc/14/92/01/994149201.db2.gz IBPZUPNOUDBTCP-AUSIDOKSSA-N 2 0 409.578 3.641 20 0 HHADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331579 994151101 /nfs/dbraw/zinc/15/11/01/994151101.db2.gz HLXYNLQBXWXWCZ-MOPGFXCFSA-N 2 0 403.592 3.637 20 0 HHADRP CC(C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000481348069 994171158 /nfs/dbraw/zinc/17/11/58/994171158.db2.gz PVWRJLLPNKCHKN-XZOQPEGZSA-N 2 0 408.590 3.836 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000481408179 994242848 /nfs/dbraw/zinc/24/28/48/994242848.db2.gz RPRAVBVMTSHSAV-BEFAXECRSA-N 2 0 401.364 3.857 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000473529233 994386819 /nfs/dbraw/zinc/38/68/19/994386819.db2.gz VFWSMHORVZOOIK-UHFFFAOYSA-N 2 0 418.463 3.782 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561857 994396553 /nfs/dbraw/zinc/39/65/53/994396553.db2.gz AZYRFEKMBSJBDA-RTWAWAEBSA-N 2 0 411.590 3.699 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561619 994396701 /nfs/dbraw/zinc/39/67/01/994396701.db2.gz KQYXNJLICTUGFS-PIPMEXSNSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481561854 994396754 /nfs/dbraw/zinc/39/67/54/994396754.db2.gz AZYRFEKMBSJBDA-LEWJYISDSA-N 2 0 411.590 3.699 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824154 994752730 /nfs/dbraw/zinc/75/27/30/994752730.db2.gz UHLZRYBTZHWWFX-NRFANRHFSA-N 2 0 423.605 3.861 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cc3ccccc3C(F)(F)F)cn2)CC1 ZINC000481921643 994793530 /nfs/dbraw/zinc/79/35/30/994793530.db2.gz NMWIMBPGPUFZSS-QGZVFWFLSA-N 2 0 406.496 3.963 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473885737 994834808 /nfs/dbraw/zinc/83/48/08/994834808.db2.gz NPLPEMOHGVHQHN-FIDNPTQWSA-N 2 0 414.638 3.954 20 0 HHADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000481997945 994898858 /nfs/dbraw/zinc/89/88/58/994898858.db2.gz JQHQBNMLSCLZPK-UHFFFAOYSA-N 2 0 412.530 3.668 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482239637 995222484 /nfs/dbraw/zinc/22/24/84/995222484.db2.gz BQMPCNQIDFBNDW-MRXNPFEDSA-N 2 0 423.586 3.656 20 0 HHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000482258594 995236446 /nfs/dbraw/zinc/23/64/46/995236446.db2.gz FSNGQJCWVBBBCC-VWLOTQADSA-N 2 0 410.558 3.962 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]CCCCc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000474466666 995429277 /nfs/dbraw/zinc/42/92/77/995429277.db2.gz IFZBFSNDLCGNJJ-UHFFFAOYSA-N 2 0 406.496 3.965 20 0 HHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000474475534 995435044 /nfs/dbraw/zinc/43/50/44/995435044.db2.gz MTILAXIZHHKOSY-OALUTQOASA-N 2 0 412.574 3.942 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482458524 995461404 /nfs/dbraw/zinc/46/14/04/995461404.db2.gz XXSLLEYPRYDUSM-OAQYLSRUSA-N 2 0 416.573 3.792 20 0 HHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000482514340 995524589 /nfs/dbraw/zinc/52/45/89/995524589.db2.gz UEHAREJSJPGEHM-SKBVVQJISA-N 2 0 423.601 3.932 20 0 HHADRP COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000482539006 995546861 /nfs/dbraw/zinc/54/68/61/995546861.db2.gz RWAUUPWJHZUWPH-INIZCTEOSA-N 2 0 402.510 3.650 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCN3CCC[N@H+](C)CC3)s2)cc1 ZINC000482540868 995549192 /nfs/dbraw/zinc/54/91/92/995549192.db2.gz ZXXKWTBPWJYTBL-KRWDZBQOSA-N 2 0 402.608 3.805 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541925 995550471 /nfs/dbraw/zinc/55/04/71/995550471.db2.gz HPPUVCWPMSTURQ-GHTZIAJQSA-N 2 0 413.537 3.643 20 0 HHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC3)cc1 ZINC000482550401 995557907 /nfs/dbraw/zinc/55/79/07/995557907.db2.gz QGWWYLVDJSKVDX-OALUTQOASA-N 2 0 412.603 3.673 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000482550498 995557949 /nfs/dbraw/zinc/55/79/49/995557949.db2.gz BZGNDTRRUSKCNP-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000482563775 995569819 /nfs/dbraw/zinc/56/98/19/995569819.db2.gz ZTGWZCRNVVYNJZ-RBUKOAKNSA-N 2 0 422.552 3.960 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620256 995615799 /nfs/dbraw/zinc/61/57/99/995615799.db2.gz OMXMCTUPMADBQY-RHSMWYFYSA-N 2 0 405.464 3.652 20 0 HHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643714 995638807 /nfs/dbraw/zinc/63/88/07/995638807.db2.gz QGWQQJPTZHOXKV-YQOVMPOYSA-N 2 0 409.549 3.936 20 0 HHADRP CN(C(=O)Nc1ccccc1CN1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474741538 995674118 /nfs/dbraw/zinc/67/41/18/995674118.db2.gz XPSLAFQAPQVMLO-QFIPXVFZSA-N 2 0 424.614 3.974 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815305 995768331 /nfs/dbraw/zinc/76/83/31/995768331.db2.gz NDFIUNBJVZVHMZ-JXFKEZNVSA-N 2 0 417.500 3.836 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822859 995772472 /nfs/dbraw/zinc/77/24/72/995772472.db2.gz ROSTXYBSWIOPMC-GCJKJVERSA-N 2 0 402.542 3.783 20 0 HHADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000474886077 995778449 /nfs/dbraw/zinc/77/84/49/995778449.db2.gz KOTUYXGQRVVQCU-ACAXCVFMSA-N 2 0 413.528 3.622 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474937562 995811987 /nfs/dbraw/zinc/81/19/87/995811987.db2.gz WFLHMUURWMNZFK-CYBMUJFWSA-N 2 0 408.306 3.584 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012537 995868990 /nfs/dbraw/zinc/86/89/90/995868990.db2.gz IPTBVZKADYIMAH-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000475138662 995947567 /nfs/dbraw/zinc/94/75/67/995947567.db2.gz VLEXYPCPWQOEKM-KXBFYZLASA-N 2 0 409.452 3.655 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139451 995948135 /nfs/dbraw/zinc/94/81/35/995948135.db2.gz NMANSPRQQCMTHE-CYFREDJKSA-N 2 0 402.542 3.818 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475146915 995953760 /nfs/dbraw/zinc/95/37/60/995953760.db2.gz QLXXIVJMGKFWDJ-UHFFFAOYSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000475192531 995986916 /nfs/dbraw/zinc/98/69/16/995986916.db2.gz UEAZVRISKMRMCU-HXUWFJFHSA-N 2 0 400.611 3.993 20 0 HHADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126829 995991203 /nfs/dbraw/zinc/99/12/03/995991203.db2.gz LMKWXOYYLYXTQF-PMACEKPBSA-N 2 0 417.619 3.945 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000483145680 996001654 /nfs/dbraw/zinc/00/16/54/996001654.db2.gz PEQKZLCNADLQPF-OAQYLSRUSA-N 2 0 401.526 3.595 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000483208159 996038506 /nfs/dbraw/zinc/03/85/06/996038506.db2.gz YNUZANNPQUXQOU-FQEVSTJZSA-N 2 0 415.626 3.951 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221349 996045632 /nfs/dbraw/zinc/04/56/32/996045632.db2.gz ZIRUWPSNNDMYMM-UGKGYDQZSA-N 2 0 411.590 3.745 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475321835 996069627 /nfs/dbraw/zinc/06/96/27/996069627.db2.gz MBJULHGQXYPLLJ-HSZRJFAPSA-N 2 0 409.599 3.582 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483417579 996165134 /nfs/dbraw/zinc/16/51/34/996165134.db2.gz YMJCICFVKHUWBG-FNZWTVRRSA-N 2 0 423.576 3.958 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000483614285 996286666 /nfs/dbraw/zinc/28/66/66/996286666.db2.gz IUFWGMQTRGSCCK-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP OC[C@]1(Cc2ccccc2)CCC[NH+]1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288860 /nfs/dbraw/zinc/28/88/60/996288860.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 2 0 422.613 3.516 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CC1 ZINC000483680160 996325404 /nfs/dbraw/zinc/32/54/04/996325404.db2.gz GECHZBKUBPQSEK-DEOSSOPVSA-N 2 0 424.589 3.796 20 0 HHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000483708375 996341026 /nfs/dbraw/zinc/34/10/26/996341026.db2.gz HLZQQJVFTUVSKG-IBGZPJMESA-N 2 0 407.624 3.634 20 0 HHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000483708248 996341320 /nfs/dbraw/zinc/34/13/20/996341320.db2.gz GVWNENQTSZPQKV-GOSISDBHSA-N 2 0 419.591 3.531 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483711352 996343213 /nfs/dbraw/zinc/34/32/13/996343213.db2.gz NOUKQDYMCJUKKT-MZKRTTBSSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@@H]1C ZINC000483714473 996345161 /nfs/dbraw/zinc/34/51/61/996345161.db2.gz WKBBDTNNNNMMIU-JAXLGGSGSA-N 2 0 416.610 3.736 20 0 HHADRP Cc1ncc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000483722468 996349363 /nfs/dbraw/zinc/34/93/63/996349363.db2.gz DJBRNPWGFJWKKR-AWEZNQCLSA-N 2 0 407.484 3.715 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccco1 ZINC000483731991 996354932 /nfs/dbraw/zinc/35/49/32/996354932.db2.gz MMAPOXWOACTKPA-LJQANCHMSA-N 2 0 422.639 3.713 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000483806523 996399951 /nfs/dbraw/zinc/39/99/51/996399951.db2.gz KHICUXFDYILOLR-DIMPSALBSA-N 2 0 410.606 3.888 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476013110 996541703 /nfs/dbraw/zinc/54/17/03/996541703.db2.gz YYXILNJDDBLHQL-UHFFFAOYSA-N 2 0 404.574 3.696 20 0 HHADRP C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484158442 996606533 /nfs/dbraw/zinc/60/65/33/996606533.db2.gz JEKPBEXCDLQBCH-HXUWFJFHSA-N 2 0 409.574 3.830 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000484331995 996709151 /nfs/dbraw/zinc/70/91/51/996709151.db2.gz YAGQASMNQLQHIO-MBSDFSHPSA-N 2 0 407.558 3.529 20 0 HHADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000484475999 996796257 /nfs/dbraw/zinc/79/62/57/996796257.db2.gz UCKJMKUWALQEHO-OAQYLSRUSA-N 2 0 419.573 3.989 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000484483945 996804807 /nfs/dbraw/zinc/80/48/07/996804807.db2.gz HKCIWVSOEXNDJA-QGZVFWFLSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000484508427 996837867 /nfs/dbraw/zinc/83/78/67/996837867.db2.gz PGPWYURIERXDCZ-OFNKIYASSA-N 2 0 409.574 3.511 20 0 HHADRP C[NH+](C)C[C@H]1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000484699343 997037961 /nfs/dbraw/zinc/03/79/61/997037961.db2.gz ACNYNFSHQZGDBG-XMMPIXPASA-N 2 0 408.590 3.672 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629791 997151512 /nfs/dbraw/zinc/15/15/12/997151512.db2.gz GNXFKPBYWDDTNT-YADHBBJMSA-N 2 0 410.562 3.626 20 0 HHADRP C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000476759236 997315847 /nfs/dbraw/zinc/31/58/47/997315847.db2.gz AFGKBRGAQCSRMD-UHFFFAOYSA-N 2 0 424.589 3.977 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968317 997340416 /nfs/dbraw/zinc/34/04/16/997340416.db2.gz FNUFZSATDIBDEP-SXLOBPIMSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000476871372 997447380 /nfs/dbraw/zinc/44/73/80/997447380.db2.gz DDGXYIOIMSQKNG-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986355 997610141 /nfs/dbraw/zinc/61/01/41/997610141.db2.gz PLPAPCCHJRMYJJ-AUSIDOKSSA-N 2 0 402.579 3.605 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476986357 997610791 /nfs/dbraw/zinc/61/07/91/997610791.db2.gz PLPAPCCHJRMYJJ-CVDCTZTESA-N 2 0 402.579 3.605 20 0 HHADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476989481 997615784 /nfs/dbraw/zinc/61/57/84/997615784.db2.gz YIKLUZJYIPJNAM-FQEVSTJZSA-N 2 0 401.595 3.630 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292016 997693728 /nfs/dbraw/zinc/69/37/28/997693728.db2.gz RQJQZFOYMGOVMN-QEFHDYNCSA-N 2 0 412.622 3.790 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477080164 997733536 /nfs/dbraw/zinc/73/35/36/997733536.db2.gz GPRZJQWTUWVMIA-UHFFFAOYSA-N 2 0 403.636 3.576 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000485394854 997822309 /nfs/dbraw/zinc/82/23/09/997822309.db2.gz AXWCPFGDOWZWQM-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485569 997938053 /nfs/dbraw/zinc/93/80/53/997938053.db2.gz GAGZZCPXYMDHLY-HSZRJFAPSA-N 2 0 412.549 3.691 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000486035120 998482126 /nfs/dbraw/zinc/48/21/26/998482126.db2.gz IHILJABITWOKJY-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000477955245 998679945 /nfs/dbraw/zinc/67/99/45/998679945.db2.gz ONNRXBVCRBWUHK-GZNCHQMQSA-N 2 0 409.496 3.574 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccccc1 ZINC000478323129 998887874 /nfs/dbraw/zinc/88/78/74/998887874.db2.gz MZOGTAXXJBUYGB-QHCPKHFHSA-N 2 0 409.578 3.634 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024708 999039828 /nfs/dbraw/zinc/03/98/28/999039828.db2.gz ADNAMLYLFKREKD-QDSKXPNFSA-N 2 0 408.590 3.808 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487120839 999068563 /nfs/dbraw/zinc/06/85/63/999068563.db2.gz QBYQSGHZKWVXCB-XMMPIXPASA-N 2 0 405.586 3.579 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000478808399 999150968 /nfs/dbraw/zinc/15/09/68/999150968.db2.gz WHZKVWNZWQEGKD-UHFFFAOYSA-N 2 0 400.611 3.867 20 0 HHADRP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051474 999267957 /nfs/dbraw/zinc/26/79/57/999267957.db2.gz AALLUXFMDWSNGH-IEBWSBKVSA-N 2 0 410.400 3.713 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)(N2CCCCC2)CC1 ZINC000479065143 999277118 /nfs/dbraw/zinc/27/71/18/999277118.db2.gz IDGBYWLWPNRAKA-QHCPKHFHSA-N 2 0 407.606 3.790 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073722 999280929 /nfs/dbraw/zinc/28/09/29/999280929.db2.gz YEJFYKRXEYOGRM-FOIQADDNSA-N 2 0 412.391 3.903 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)C[C@@H](C)O1 ZINC000487888779 999305273 /nfs/dbraw/zinc/30/52/73/999305273.db2.gz NLZKTPLQZZYDQH-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487923768 999317233 /nfs/dbraw/zinc/31/72/33/999317233.db2.gz YBTGIXRFRPRTSB-JOCHJYFZSA-N 2 0 415.647 3.964 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479283895 999364471 /nfs/dbraw/zinc/36/44/71/999364471.db2.gz PGRZFSNYTFNTOD-CHWSQXEVSA-N 2 0 408.306 3.754 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000479302993 999374446 /nfs/dbraw/zinc/37/44/46/999374446.db2.gz WBNXXNMQWATCPX-IERDGZPVSA-N 2 0 403.364 3.737 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000479302994 999375086 /nfs/dbraw/zinc/37/50/86/999375086.db2.gz WBNXXNMQWATCPX-IIBYNOLFSA-N 2 0 403.364 3.737 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479365326 999405898 /nfs/dbraw/zinc/40/58/98/999405898.db2.gz VPHODMQVHJCCEB-WOJBJXKFSA-N 2 0 412.391 3.901 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438983 999417657 /nfs/dbraw/zinc/41/76/57/999417657.db2.gz PIHZHTWHBWSRBI-ILBGXUMGSA-N 2 0 416.569 3.996 20 0 HHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000479447212 999421712 /nfs/dbraw/zinc/42/17/12/999421712.db2.gz BFBKGLOAOOKGPK-UHFFFAOYSA-N 2 0 407.967 3.535 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000488409758 999479019 /nfs/dbraw/zinc/47/90/19/999479019.db2.gz XALLVERTJZDKCJ-SFHVURJKSA-N 2 0 410.002 3.620 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459705 999492895 /nfs/dbraw/zinc/49/28/95/999492895.db2.gz LSQMJNCSWBNXGG-RCZVLFRGSA-N 2 0 424.589 3.970 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474405 999499229 /nfs/dbraw/zinc/49/92/29/999499229.db2.gz YJDJGKADWBNAQB-ZODMCCGTSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488544536 999523158 /nfs/dbraw/zinc/52/31/58/999523158.db2.gz GYMXRTKQPARUTO-REWPJTCUSA-N 2 0 421.589 3.508 20 0 HHADRP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488544533 999523205 /nfs/dbraw/zinc/52/32/05/999523205.db2.gz GYMXRTKQPARUTO-NZQKXSOJSA-N 2 0 421.589 3.508 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488596043 999540213 /nfs/dbraw/zinc/54/02/13/999540213.db2.gz NAFKMLCWVLDGOI-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488642408 999555112 /nfs/dbraw/zinc/55/51/12/999555112.db2.gz IUMAXZVUQRAWBX-IFMALSPDSA-N 2 0 412.622 3.993 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000479968003 999667809 /nfs/dbraw/zinc/66/78/09/999667809.db2.gz ZKWLTHCURXOUTB-UHFFFAOYSA-N 2 0 415.626 3.913 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000489140511 999710325 /nfs/dbraw/zinc/71/03/25/999710325.db2.gz PODMZCDOARQAQW-OIBXWCBGSA-N 2 0 424.589 3.935 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000480160016 999733678 /nfs/dbraw/zinc/73/36/78/999733678.db2.gz NOFCSMWSXWCUJN-OAHLLOKOSA-N 2 0 410.393 3.776 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000489400160 999759403 /nfs/dbraw/zinc/75/94/03/999759403.db2.gz JNFCOBFDGSOLCC-OYDLWJJNSA-N 2 0 408.590 3.808 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000489403530 999759723 /nfs/dbraw/zinc/75/97/23/999759723.db2.gz NSQNZGHSPRUZRH-XMMPIXPASA-N 2 0 408.590 3.904 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1S(C)(=O)=O ZINC000480269425 999760060 /nfs/dbraw/zinc/76/00/60/999760060.db2.gz WFRVUMGMOOHQDG-QGZVFWFLSA-N 2 0 402.560 3.545 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480274359 999761079 /nfs/dbraw/zinc/76/10/79/999761079.db2.gz MUDICKBLXPBOLO-QHCPKHFHSA-N 2 0 409.574 3.990 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccco1 ZINC000489420609 999763768 /nfs/dbraw/zinc/76/37/68/999763768.db2.gz AGWHVEACRVYBSP-QFIPXVFZSA-N 2 0 412.578 3.969 20 0 HHADRP COc1ccccc1[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421078 999763775 /nfs/dbraw/zinc/76/37/75/999763775.db2.gz GLNVUQXGGQBAHA-FGZHOGPDSA-N 2 0 424.585 3.999 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000489520293 999783153 /nfs/dbraw/zinc/78/31/53/999783153.db2.gz YKEGWUANTPJMTA-INIZCTEOSA-N 2 0 421.358 3.846 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480449557 999801757 /nfs/dbraw/zinc/80/17/57/999801757.db2.gz ZIHLVILMLIGAQS-IBGZPJMESA-N 2 0 415.603 3.919 20 0 HHADRP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455699 999803186 /nfs/dbraw/zinc/80/31/86/999803186.db2.gz WBIHZKUIGXEFEW-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631682 999806444 /nfs/dbraw/zinc/80/64/44/999806444.db2.gz DYXGGSRDMAUDMN-HYBUGGRVSA-N 2 0 421.585 3.859 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C[C@@H](C)O1 ZINC000480522158 999817714 /nfs/dbraw/zinc/81/77/14/999817714.db2.gz CJWCQVMUGOQRDX-VIZSFHNOSA-N 2 0 413.606 3.567 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000480537405 999821302 /nfs/dbraw/zinc/82/13/02/999821302.db2.gz PEYRVTAEFWEEKR-WIYYLYMNSA-N 2 0 400.636 3.965 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612511 999840956 /nfs/dbraw/zinc/84/09/56/999840956.db2.gz PCVCLOQGRHLGNT-RTBURBONSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824932 999844800 /nfs/dbraw/zinc/84/48/00/999844800.db2.gz DLPUKDPUEDAESA-HYVLGVRCSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000480632424 999846009 /nfs/dbraw/zinc/84/60/09/999846009.db2.gz CCIWGGBWGLJINI-IBGZPJMESA-N 2 0 404.624 3.664 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489896261 999857779 /nfs/dbraw/zinc/85/77/79/999857779.db2.gz ITECRFAVVCZAFQ-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4ccc(Cl)cc43)cn2)CC1 ZINC000480685530 999859001 /nfs/dbraw/zinc/85/90/01/999859001.db2.gz AFYBJRHIRKFVND-FQEVSTJZSA-N 2 0 400.954 3.880 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccsc1 ZINC000489908069 999859954 /nfs/dbraw/zinc/85/99/54/999859954.db2.gz FRRRRZWTRWYBFU-NRFANRHFSA-N 2 0 400.592 3.657 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(Br)ccc43)cn2)CC1 ZINC000480696437 999861971 /nfs/dbraw/zinc/86/19/71/999861971.db2.gz XGHKDQMXGSYGQR-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3OC(F)(F)F)cn2)CC1 ZINC000480697923 999862233 /nfs/dbraw/zinc/86/22/33/999862233.db2.gz MUJIQWARJSSATD-MRXNPFEDSA-N 2 0 408.468 3.973 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4ccc(OC(F)(F)F)cc43)ccn2)CC1 ZINC000480707078 999864475 /nfs/dbraw/zinc/86/44/75/999864475.db2.gz KDWSOFUARWCWEL-LJQANCHMSA-N 2 0 406.452 3.509 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000490011954 999877328 /nfs/dbraw/zinc/87/73/28/999877328.db2.gz LNLNGWCIUPFPBK-QFIPXVFZSA-N 2 0 410.562 3.723 20 0 HHADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000490116934 999895288 /nfs/dbraw/zinc/89/52/88/999895288.db2.gz DCUSVBALUJZRDU-AREMUKBSSA-N 2 0 400.570 3.969 20 0 HHADRP Cn1cc([C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119161 999895670 /nfs/dbraw/zinc/89/56/70/999895670.db2.gz NGAZQMQTIVAXSO-JWQCQUIFSA-N 2 0 421.564 3.617 20 0 HHADRP Cn1cc([C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000490155303 999901382 /nfs/dbraw/zinc/90/13/82/999901382.db2.gz CKPCORAQEFMKPZ-RUZDIDTESA-N 2 0 421.564 3.841 20 0 HHADRP c1cc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)ccc1CN1CCOCC1 ZINC000490396830 999950732 /nfs/dbraw/zinc/95/07/32/999950732.db2.gz HJLCUJOXOQIOOY-UHFFFAOYSA-N 2 0 404.514 3.832 20 0 HHADRP Cc1ccc([C@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000490620823 999985452 /nfs/dbraw/zinc/98/54/52/999985452.db2.gz DUFOUNDUGSMRDT-QHCPKHFHSA-N 2 0 410.562 3.894 20 0 HHADRP C[C@@H]1C[N@H+](CC/C=C\c2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490649358 999988711 /nfs/dbraw/zinc/98/87/11/999988711.db2.gz OKUFADQPFMBPBV-COEOQKCKSA-N 2 0 406.412 3.810 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000490953761 1000027010 /nfs/dbraw/zinc/02/70/10/1000027010.db2.gz XBNZOTFVRRSMOR-RTBURBONSA-N 2 0 404.624 3.662 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000491022951 1000035067 /nfs/dbraw/zinc/03/50/67/1000035067.db2.gz QLBLSJVSJZPQNH-QFIPXVFZSA-N 2 0 422.541 3.779 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491259896 1000059826 /nfs/dbraw/zinc/05/98/26/1000059826.db2.gz RWGWPWZMMPKXQO-KNQAVFIVSA-N 2 0 424.593 3.667 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000491310819 1000063788 /nfs/dbraw/zinc/06/37/88/1000063788.db2.gz SBXYXIKSINILQF-FPOVZHCZSA-N 2 0 424.593 3.572 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000491403090 1000072112 /nfs/dbraw/zinc/07/21/12/1000072112.db2.gz WSEZHMIJJXSQCQ-LJQANCHMSA-N 2 0 424.593 3.703 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c2ccccc2)CC1 ZINC000491446097 1000075664 /nfs/dbraw/zinc/07/56/64/1000075664.db2.gz KWQVGOCDUWAABM-JOCHJYFZSA-N 2 0 424.593 3.745 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011900 1000154207 /nfs/dbraw/zinc/15/42/07/1000154207.db2.gz WNAZZQJSFHJEFA-QHCPKHFHSA-N 2 0 419.972 3.548 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000493071340 1000156202 /nfs/dbraw/zinc/15/62/02/1000156202.db2.gz LYFWQIRMHXTXDW-UHFFFAOYSA-N 2 0 423.601 3.663 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000493098614 1000157126 /nfs/dbraw/zinc/15/71/26/1000157126.db2.gz RCRLJKJYKUESOF-UHFFFAOYSA-N 2 0 423.601 3.661 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(c4ccc(Br)cc4)C3)cn2)CC1 ZINC000493843606 1000197661 /nfs/dbraw/zinc/19/76/61/1000197661.db2.gz MAPMEAVVWDJXNG-UHFFFAOYSA-N 2 0 415.379 3.632 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)C2)CC1 ZINC000504568368 1000273973 /nfs/dbraw/zinc/27/39/73/1000273973.db2.gz NJVYJNVICKIQCX-JOCHJYFZSA-N 2 0 415.647 3.820 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(Br)c(Cl)c3)ccn2)CC1 ZINC000494340044 1000441080 /nfs/dbraw/zinc/44/10/80/1000441080.db2.gz ICKFJXSUWFGRDU-UHFFFAOYSA-N 2 0 409.759 3.539 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924948 1000732887 /nfs/dbraw/zinc/73/28/87/1000732887.db2.gz RQWMPPKMYDCUMF-JOCHJYFZSA-N 2 0 422.617 3.637 20 0 HHADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000495184489 1000906096 /nfs/dbraw/zinc/90/60/96/1000906096.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 2 0 409.496 3.755 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000495260882 1000942470 /nfs/dbraw/zinc/94/24/70/1000942470.db2.gz SSRCQKYKTMOJKU-XZOQPEGZSA-N 2 0 400.998 3.880 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495394133 1000997493 /nfs/dbraw/zinc/99/74/93/1000997493.db2.gz AVKOIDQUKRCJEJ-DNQXCXABSA-N 2 0 415.622 3.521 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505760876 1001010213 /nfs/dbraw/zinc/01/02/13/1001010213.db2.gz ZJZAPGPBXOMXJE-QRQLOZEOSA-N 2 0 411.512 3.683 20 0 HHADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495445427 1001014655 /nfs/dbraw/zinc/01/46/55/1001014655.db2.gz VHIIMVHOCRQRID-AVRDEDQJSA-N 2 0 419.013 3.820 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000505800592 1001033401 /nfs/dbraw/zinc/03/34/01/1001033401.db2.gz CYAMLKNNLZQLPE-OAQYLSRUSA-N 2 0 414.619 3.536 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925974 1001106013 /nfs/dbraw/zinc/10/60/13/1001106013.db2.gz ZHHZAXLRKZIOPI-RBBKRZOGSA-N 2 0 415.647 3.962 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000505936274 1001113028 /nfs/dbraw/zinc/11/30/28/1001113028.db2.gz CMWCJRSAWAVHCY-JOCHJYFZSA-N 2 0 404.574 3.726 20 0 HHADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000506012937 1001162379 /nfs/dbraw/zinc/16/23/79/1001162379.db2.gz PHTJQXVIFNIKPY-MOPGFXCFSA-N 2 0 422.013 3.730 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000506329583 1001358255 /nfs/dbraw/zinc/35/82/55/1001358255.db2.gz GCGUVWLXEYNFPS-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497473549 1001385455 /nfs/dbraw/zinc/38/54/55/1001385455.db2.gz UFVCDBGNICMZDF-UXPWSPDFSA-N 2 0 424.511 3.548 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564898 1001437825 /nfs/dbraw/zinc/43/78/25/1001437825.db2.gz UBWZKODVVZXVPA-HSZRJFAPSA-N 2 0 412.622 3.805 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000497607578 1001456704 /nfs/dbraw/zinc/45/67/04/1001456704.db2.gz MVFZITZLCHSFBD-JTSKRJEESA-N 2 0 400.542 3.686 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1(c2ccccc2)CCCCC1 ZINC000506620850 1001473694 /nfs/dbraw/zinc/47/36/94/1001473694.db2.gz KXCYHFOIWQJIFT-UHFFFAOYSA-N 2 0 421.589 3.753 20 0 HHADRP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845355 1001534679 /nfs/dbraw/zinc/53/46/79/1001534679.db2.gz NNFJWDNHIONYAN-WOJBJXKFSA-N 2 0 412.574 3.540 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922043 1001595081 /nfs/dbraw/zinc/59/50/81/1001595081.db2.gz MPHMXBZYNIRUCI-BDTNDASRSA-N 2 0 412.622 3.729 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(-c2ccccc2)cc1OC ZINC000506942037 1001607426 /nfs/dbraw/zinc/60/74/26/1001607426.db2.gz CEPIXKSORHWGBS-UHFFFAOYSA-N 2 0 410.558 3.915 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498115550 1001647100 /nfs/dbraw/zinc/64/71/00/1001647100.db2.gz AWKRMUQJLZHAEJ-AVCGJXAMSA-N 2 0 412.553 3.638 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498129000 1001653983 /nfs/dbraw/zinc/65/39/83/1001653983.db2.gz XWSNDZCNSOGXDG-SLFFLAALSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951173 1001724761 /nfs/dbraw/zinc/72/47/61/1001724761.db2.gz MSGRFDBVOVUBPT-XQBPLPMBSA-N 2 0 404.574 3.724 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000498382470 1001812331 /nfs/dbraw/zinc/81/23/31/1001812331.db2.gz CRESJFJGDXVRAA-WVUPVLJSSA-N 2 0 400.611 3.802 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000507379041 1002034995 /nfs/dbraw/zinc/03/49/95/1002034995.db2.gz LOHPFMRYUFDJPX-QHAWAJNXSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000507427871 1002066867 /nfs/dbraw/zinc/06/68/67/1002066867.db2.gz ZJPYGDKYNNAYTJ-OAQYLSRUSA-N 2 0 404.551 3.640 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707380 1002090875 /nfs/dbraw/zinc/09/08/75/1002090875.db2.gz SXPBGXJDCSFFKA-QPPBQGQZSA-N 2 0 408.590 3.670 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1OC1CCCC1 ZINC000498816740 1002200573 /nfs/dbraw/zinc/20/05/73/1002200573.db2.gz HCNNMAQJENXHCR-UHFFFAOYSA-N 2 0 423.561 3.737 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595870 1002202775 /nfs/dbraw/zinc/20/27/75/1002202775.db2.gz AJUYTVYRCKWTGE-CEMLEFRQSA-N 2 0 421.589 3.771 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000498894561 1002284578 /nfs/dbraw/zinc/28/45/78/1002284578.db2.gz LDWFRDPEWOORRD-UHFFFAOYSA-N 2 0 421.585 3.693 20 0 HHADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507896567 1002430240 /nfs/dbraw/zinc/43/02/40/1002430240.db2.gz POZRVKNWGPTALW-UHFFFAOYSA-N 2 0 424.589 3.854 20 0 HHADRP COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139598 1002523992 /nfs/dbraw/zinc/52/39/92/1002523992.db2.gz PUNPOAMXLKNYOL-HWHRFOGPSA-N 2 0 410.558 3.913 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499150366 1002534399 /nfs/dbraw/zinc/53/43/99/1002534399.db2.gz XXIYGAKOUPKXLD-QEIWAGNOSA-N 3 0 407.602 3.955 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236400 1002626492 /nfs/dbraw/zinc/62/64/92/1002626492.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 2 0 419.613 3.655 20 0 HHADRP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499237860 1002628037 /nfs/dbraw/zinc/62/80/37/1002628037.db2.gz PFWJDZLYDUXICL-JVYGEBFASA-N 2 0 419.613 3.715 20 0 HHADRP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000499256756 1002656873 /nfs/dbraw/zinc/65/68/73/1002656873.db2.gz RJJACMOFPVDMHU-NNZMDNLPSA-N 2 0 405.468 3.693 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000508285833 1002794659 /nfs/dbraw/zinc/79/46/59/1002794659.db2.gz HFJVRSFQLRFZIS-SGRGSNTQSA-N 2 0 402.627 3.903 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508478234 1002962159 /nfs/dbraw/zinc/96/21/59/1002962159.db2.gz REJXXQBVMBSWGG-QHCPKHFHSA-N 2 0 409.599 3.802 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716818 1003156724 /nfs/dbraw/zinc/15/67/24/1003156724.db2.gz LFJRDIGJZYALLF-GRYUFTJMSA-N 2 0 411.565 3.699 20 0 HHADRP Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884559 1003220650 /nfs/dbraw/zinc/22/06/50/1003220650.db2.gz CUOJBKAYTCAVPQ-PMACEKPBSA-N 2 0 424.593 3.585 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966945 1003285995 /nfs/dbraw/zinc/28/59/95/1003285995.db2.gz DMTWLZSHDDWSCM-ZCYQVOJMSA-N 2 0 412.622 3.662 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875266 1003294656 /nfs/dbraw/zinc/29/46/56/1003294656.db2.gz BVOGYZCJBOSYKV-WTOYTKOKSA-N 2 0 400.542 3.727 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000508882998 1003306549 /nfs/dbraw/zinc/30/65/49/1003306549.db2.gz SMDQJZLHACLKML-NFBKMPQASA-N 2 0 418.626 3.519 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902791 1003339199 /nfs/dbraw/zinc/33/91/99/1003339199.db2.gz DUBUQGLUJDILCN-GBXCKJPGSA-N 2 0 424.589 3.604 20 0 HHADRP C[NH+](C)CCn1ncc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1-c1ccccc1 ZINC000500055392 1003393879 /nfs/dbraw/zinc/39/38/79/1003393879.db2.gz NYJFHMGCKDLQDN-UHFFFAOYSA-N 2 0 423.605 3.639 20 0 HHADRP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941893 1003394778 /nfs/dbraw/zinc/39/47/78/1003394778.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 2 0 411.512 3.820 20 0 HHADRP CC(C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000500097965 1003459991 /nfs/dbraw/zinc/45/99/91/1003459991.db2.gz KQALWXNUKOMHAA-HSZRJFAPSA-N 2 0 400.611 3.838 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000500131704 1003491701 /nfs/dbraw/zinc/49/17/01/1003491701.db2.gz KGHGJMCDIRZPII-OAQYLSRUSA-N 2 0 412.603 3.980 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000500678014 1003887053 /nfs/dbraw/zinc/88/70/53/1003887053.db2.gz KDOLESXWXDSJQB-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000509518671 1003919130 /nfs/dbraw/zinc/91/91/30/1003919130.db2.gz XRNVKTRVOGWLMN-UHFFFAOYSA-N 2 0 420.001 3.574 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500835342 1003990900 /nfs/dbraw/zinc/99/09/00/1003990900.db2.gz UNEJNKQOYUKAPU-HSZRJFAPSA-N 2 0 421.589 3.604 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102869 1004024936 /nfs/dbraw/zinc/02/49/36/1004024936.db2.gz ABFRLWOFGMKSTI-AKIFATBCSA-N 2 0 400.611 3.707 20 0 HHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)sc1Br ZINC000512146267 1004056100 /nfs/dbraw/zinc/05/61/00/1004056100.db2.gz OPZHZFJZMXWSPA-AWEZNQCLSA-N 2 0 409.397 3.817 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171294 1004075112 /nfs/dbraw/zinc/07/51/12/1004075112.db2.gz GPSUOHDFRWCXSN-XZOQPEGZSA-N 2 0 408.590 3.889 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@@H](C)O1 ZINC000512179613 1004081791 /nfs/dbraw/zinc/08/17/91/1004081791.db2.gz LWNIIRKMQJNJEU-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)C[C@@H](C)O1 ZINC000509788455 1004097437 /nfs/dbraw/zinc/09/74/37/1004097437.db2.gz RLLHYGSPXPSATK-WOJBJXKFSA-N 2 0 404.558 3.986 20 0 HHADRP C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501026393 1004129822 /nfs/dbraw/zinc/12/98/22/1004129822.db2.gz SGCPGHGLAQIXQY-UHFFFAOYSA-N 2 0 418.335 3.921 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501034950 1004137906 /nfs/dbraw/zinc/13/79/06/1004137906.db2.gz WDGXZYHDTLVSTB-UHFFFAOYSA-N 2 0 422.451 3.767 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccccc1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068856 1004171167 /nfs/dbraw/zinc/17/11/67/1004171167.db2.gz NHWASCDEEGDOJB-UHFFFAOYSA-N 2 0 417.351 3.631 20 0 HHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086358 1004192376 /nfs/dbraw/zinc/19/23/76/1004192376.db2.gz JQPQUJQINIOIJN-UWVAXJGDSA-N 2 0 410.965 3.646 20 0 HHADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512290036 1004193290 /nfs/dbraw/zinc/19/32/90/1004193290.db2.gz WXOASUWNOCCANH-QPTUXGOLSA-N 2 0 412.599 3.871 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501100661 1004205126 /nfs/dbraw/zinc/20/51/26/1004205126.db2.gz PSDSBLYWTZWNIX-SFTDATJTSA-N 2 0 414.638 3.906 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318210 1004213528 /nfs/dbraw/zinc/21/35/28/1004213528.db2.gz LWGIFKQRFKQVNC-BZSNNMDCSA-N 2 0 403.567 3.664 20 0 HHADRP Cc1cccc(C)c1OCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512419974 1004286157 /nfs/dbraw/zinc/28/61/57/1004286157.db2.gz GBHUHJIEDXZSED-RUZDIDTESA-N 2 0 407.602 3.964 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423397 1004289297 /nfs/dbraw/zinc/28/92/97/1004289297.db2.gz GIUBKDVVDJMOHE-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353666 /nfs/dbraw/zinc/35/36/66/1004353666.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 2 0 411.384 3.671 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501492948 1004464214 /nfs/dbraw/zinc/46/42/14/1004464214.db2.gz XTNZHITZKXITJE-LADGPHEKSA-N 2 0 406.574 3.723 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N2CCOCC2)o1 ZINC000512652613 1004464934 /nfs/dbraw/zinc/46/49/34/1004464934.db2.gz ATABLSJOIVZPSZ-LIONHTAISA-N 2 0 423.601 3.852 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660856 1004471329 /nfs/dbraw/zinc/47/13/29/1004471329.db2.gz OZZQFECGXHBAKY-VABKMULXSA-N 2 0 407.606 3.827 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510345317 1004496554 /nfs/dbraw/zinc/49/65/54/1004496554.db2.gz ZBYXZLFTEPYIGQ-IRLDBZIGSA-N 2 0 412.622 3.993 20 0 HHADRP FC(F)OC[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796585 1004564075 /nfs/dbraw/zinc/56/40/75/1004564075.db2.gz IMLPFOBXKJCOIW-HDICACEKSA-N 2 0 404.448 3.809 20 0 HHADRP FC(F)OC[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821664 1004580536 /nfs/dbraw/zinc/58/05/36/1004580536.db2.gz CWFMIPVCUKVORZ-HOTGVXAUSA-N 2 0 404.448 3.809 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510460264 1004581376 /nfs/dbraw/zinc/58/13/76/1004581376.db2.gz KHCFOMXFZRNAQF-QFIPXVFZSA-N 2 0 410.562 3.642 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510484734 1004601578 /nfs/dbraw/zinc/60/15/78/1004601578.db2.gz YMCYYQVJWFWGCD-PZJWPPBQSA-N 2 0 400.611 3.981 20 0 HHADRP CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501533 1004622341 /nfs/dbraw/zinc/62/23/41/1004622341.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 2 0 412.622 3.776 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525344 1004654617 /nfs/dbraw/zinc/65/46/17/1004654617.db2.gz MWAPZZQVBROGHV-ZEYPLWLESA-N 2 0 400.611 3.804 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512906722 1004676102 /nfs/dbraw/zinc/67/61/02/1004676102.db2.gz IFZCXNXUHFTVEJ-QHCPKHFHSA-N 2 0 416.610 3.594 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552041 1004689593 /nfs/dbraw/zinc/68/95/93/1004689593.db2.gz VEIGZQZWRGCADX-GBXCKJPGSA-N 2 0 408.590 3.558 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000501779751 1004719449 /nfs/dbraw/zinc/71/94/49/1004719449.db2.gz YRMYGCTWJIGTLN-NRFANRHFSA-N 2 0 412.603 3.633 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000501788971 1004730471 /nfs/dbraw/zinc/73/04/71/1004730471.db2.gz KBPGDUIZTPIMCX-UHFFFAOYSA-N 2 0 403.464 3.515 20 0 HHADRP CCn1nccc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000513031587 1004768180 /nfs/dbraw/zinc/76/81/80/1004768180.db2.gz MYQORCYVBTXUJJ-UHFFFAOYSA-N 2 0 409.500 3.614 20 0 HHADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1 ZINC000513046666 1004776391 /nfs/dbraw/zinc/77/63/91/1004776391.db2.gz MXPLEOAEGZDCGU-FQEVSTJZSA-N 2 0 413.528 3.931 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(c4nccs4)CC3)CC2)cc1 ZINC000513058695 1004784509 /nfs/dbraw/zinc/78/45/09/1004784509.db2.gz QCMKNRXKUUNKMY-UHFFFAOYSA-N 2 0 400.592 3.622 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000513109719 1004812056 /nfs/dbraw/zinc/81/20/56/1004812056.db2.gz DZJPPKXAGYRVJR-UHFFFAOYSA-N 2 0 409.574 3.536 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Br)cc43)cn2)CC1 ZINC000510718389 1004815065 /nfs/dbraw/zinc/81/50/65/1004815065.db2.gz JLKAMEQVASQOHC-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737759 1004824800 /nfs/dbraw/zinc/82/48/00/1004824800.db2.gz PCPJPMULCKWZMQ-QFIPXVFZSA-N 2 0 414.391 3.974 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502167106 1004934444 /nfs/dbraw/zinc/93/44/44/1004934444.db2.gz ATDLKDDUFNDGHU-LZQZEXGQSA-N 2 0 412.500 3.576 20 0 HHADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000510942855 1004946263 /nfs/dbraw/zinc/94/62/63/1004946263.db2.gz COFSSEYCCZCXJR-KEVKATSASA-N 2 0 417.597 3.720 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000513509566 1004997298 /nfs/dbraw/zinc/99/72/98/1004997298.db2.gz SWAIECVAXMUXHJ-RXVVDRJESA-N 2 0 413.566 3.591 20 0 HHADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692305 1005084561 /nfs/dbraw/zinc/08/45/61/1005084561.db2.gz YYHAWTVUIDKVHO-BXXSPATCSA-N 2 0 407.606 3.997 20 0 HHADRP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502476209 1005087200 /nfs/dbraw/zinc/08/72/00/1005087200.db2.gz XIQHKWMVJGLKMO-QUVATAORSA-N 2 0 412.622 3.776 20 0 HHADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000502483646 1005088638 /nfs/dbraw/zinc/08/86/38/1005088638.db2.gz AJQKOOOHECTQPU-UHFFFAOYSA-N 2 0 405.546 3.734 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264637 1005097513 /nfs/dbraw/zinc/09/75/13/1005097513.db2.gz GNAPRKGDUHLXKV-IRLDBZIGSA-N 2 0 404.643 3.937 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000511376115 1005146448 /nfs/dbraw/zinc/14/64/48/1005146448.db2.gz GDKARSCEBHRVHQ-XZOQPEGZSA-N 2 0 401.982 3.953 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891127 1005175454 /nfs/dbraw/zinc/17/54/54/1005175454.db2.gz APBKVIVHZACPIS-QDSKXPNFSA-N 2 0 406.574 3.958 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511439990 1005177358 /nfs/dbraw/zinc/17/73/58/1005177358.db2.gz UKTAAPMOLZIFFO-ICSRJNTNSA-N 2 0 418.651 3.912 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cccs1 ZINC000513904875 1005180508 /nfs/dbraw/zinc/18/05/08/1005180508.db2.gz CMEVDLRVVWVABO-NRFANRHFSA-N 2 0 414.619 3.701 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463875 1005187087 /nfs/dbraw/zinc/18/70/87/1005187087.db2.gz QCHCYVNIUSMMGD-ZJOUEHCJSA-N 2 0 402.583 3.677 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548192 1005219551 /nfs/dbraw/zinc/21/95/51/1005219551.db2.gz UASGSYAEPFNWPF-PZUNEJSGSA-N 2 0 420.601 3.686 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)CC2)CC1 ZINC000502794115 1005220221 /nfs/dbraw/zinc/22/02/21/1005220221.db2.gz VAKJVDVBUQWZRU-UHFFFAOYSA-N 2 0 416.610 3.929 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511586600 1005235000 /nfs/dbraw/zinc/23/50/00/1005235000.db2.gz PJAHOWKJUFCAEP-JOCHJYFZSA-N 2 0 400.611 3.708 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CC2)CC1 ZINC000502833192 1005237669 /nfs/dbraw/zinc/23/76/69/1005237669.db2.gz SUDRODSITYQBMD-YHBJDUNFSA-N 2 0 402.627 3.688 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600128 1005240652 /nfs/dbraw/zinc/24/06/52/1005240652.db2.gz RKFTUXWVBVXVLM-VXKWHMMOSA-N 2 0 400.611 3.564 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000502843696 1005241041 /nfs/dbraw/zinc/24/10/41/1005241041.db2.gz JPRXXRPXNIPTDH-NFBKMPQASA-N 2 0 416.610 3.786 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000502863393 1005248608 /nfs/dbraw/zinc/24/86/08/1005248608.db2.gz QCAVKUNAHYDOPY-NZQKXSOJSA-N 2 0 416.610 3.786 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000502863940 1005249061 /nfs/dbraw/zinc/24/90/61/1005249061.db2.gz SFMRPCIGEBGTGO-UNMCSNQZSA-N 2 0 416.610 3.643 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511624763 1005249319 /nfs/dbraw/zinc/24/93/19/1005249319.db2.gz DVZWMPJGIMPRNA-RTBURBONSA-N 2 0 403.636 3.722 20 0 HHADRP Cc1ccc(-c2ncc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)s2)o1 ZINC000511626226 1005250400 /nfs/dbraw/zinc/25/04/00/1005250400.db2.gz LBRLIHZVHWEFIL-UHFFFAOYSA-N 2 0 418.607 3.628 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000514094994 1005262826 /nfs/dbraw/zinc/26/28/26/1005262826.db2.gz PGXGSODEMWYUTI-POTDNYQPSA-N 3 0 412.666 3.539 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000514114823 1005272240 /nfs/dbraw/zinc/27/22/40/1005272240.db2.gz KRMWIUXEAKFOIJ-UHFFFAOYSA-N 2 0 414.638 3.849 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000514235588 1005325733 /nfs/dbraw/zinc/32/57/33/1005325733.db2.gz FSHGQIFCXWFULH-GOTSBHOMSA-N 2 0 415.626 3.588 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[NH+](C)C)c1 ZINC000503109563 1005349470 /nfs/dbraw/zinc/34/94/70/1005349470.db2.gz VBIRPPAGGDBZSG-AVRDEDQJSA-N 2 0 412.578 3.727 20 0 HHADRP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110582 1005349736 /nfs/dbraw/zinc/34/97/36/1005349736.db2.gz MEDCIQOFCUOXGS-QHCPKHFHSA-N 2 0 406.574 3.567 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503209953 1005369121 /nfs/dbraw/zinc/36/91/21/1005369121.db2.gz WIYFXJFURIUASV-RUZDIDTESA-N 2 0 420.601 3.646 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000503312660 1005388410 /nfs/dbraw/zinc/38/84/10/1005388410.db2.gz QCTXLSMEUJLSNX-FGZHOGPDSA-N 2 0 412.622 3.587 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000503312658 1005388416 /nfs/dbraw/zinc/38/84/16/1005388416.db2.gz QCTXLSMEUJLSNX-FCHUYYIVSA-N 2 0 412.622 3.587 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[NH+]2CCCC2)o1 ZINC000503339798 1005393572 /nfs/dbraw/zinc/39/35/72/1005393572.db2.gz IFBFMBQMWGZOEP-FCHUYYIVSA-N 2 0 416.610 3.878 20 0 HHADRP C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000503895755 1005506447 /nfs/dbraw/zinc/50/64/47/1005506447.db2.gz WWWDQISIRMYSTH-RDPSFJRHSA-N 2 0 405.542 3.881 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c(C)c2)CC1 ZINC000514543764 1006030141 /nfs/dbraw/zinc/03/01/41/1006030141.db2.gz VMRQTYBWRLHHAT-UHFFFAOYSA-N 2 0 409.578 3.520 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+]1CCCC1 ZINC000514564887 1006038607 /nfs/dbraw/zinc/03/86/07/1006038607.db2.gz UFEUIZZSWNISAI-HSZRJFAPSA-N 2 0 424.589 3.606 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000514762219 1006114407 /nfs/dbraw/zinc/11/44/07/1006114407.db2.gz IXPYSJFCRIDYIJ-GOSISDBHSA-N 2 0 412.525 3.519 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181440 1006169077 /nfs/dbraw/zinc/16/90/77/1006169077.db2.gz FOWCWPQJODMGAN-JWQCQUIFSA-N 2 0 423.601 3.531 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169198 /nfs/dbraw/zinc/16/91/98/1006169198.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 2 0 423.601 3.531 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)cc1 ZINC000531445328 1006201170 /nfs/dbraw/zinc/20/11/70/1006201170.db2.gz LVUWFWSGDOGDHW-XMMPIXPASA-N 2 0 422.573 3.568 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531455215 1006208015 /nfs/dbraw/zinc/20/80/15/1006208015.db2.gz RFKJEFJPNWWCPM-NFBKMPQASA-N 2 0 406.574 3.633 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226361 1006223782 /nfs/dbraw/zinc/22/37/82/1006223782.db2.gz KHINQDTWCTXGFX-LLGFUMIMSA-N 2 0 422.976 3.788 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250094 1006257317 /nfs/dbraw/zinc/25/73/17/1006257317.db2.gz IJNTUNYTBZTDLO-GHTZIAJQSA-N 2 0 424.992 3.893 20 0 HHADRP c1cnn(-c2cccc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000531603228 1006300552 /nfs/dbraw/zinc/30/05/52/1006300552.db2.gz TXDVMOPHKPNHFR-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715212 1006374367 /nfs/dbraw/zinc/37/43/67/1006374367.db2.gz ABCQMOUJVSHVRF-RKVPGOIHSA-N 2 0 401.414 3.879 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000515354314 1006414731 /nfs/dbraw/zinc/41/47/31/1006414731.db2.gz GCXLLFCFWDVABT-IBGZPJMESA-N 2 0 423.557 3.951 20 0 HHADRP COc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(OC)c1 ZINC000515354430 1006415018 /nfs/dbraw/zinc/41/50/18/1006415018.db2.gz QSDRLHHDXYOETM-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP CN(c1ccccc1C[NH2+]CCCN1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000531851195 1006472049 /nfs/dbraw/zinc/47/20/49/1006472049.db2.gz KAPUIFZOCFGHQI-UHFFFAOYSA-N 2 0 406.618 3.755 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000531885193 1006498995 /nfs/dbraw/zinc/49/89/95/1006498995.db2.gz KYSREZFDOPIAQU-PMACEKPBSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Br)cc3)cn2)CC1 ZINC000531936302 1006531656 /nfs/dbraw/zinc/53/16/56/1006531656.db2.gz JNMSUDZREZDUTI-MRXNPFEDSA-N 2 0 403.368 3.837 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756233 1006645473 /nfs/dbraw/zinc/64/54/73/1006645473.db2.gz SGZKBQGKWFQNRF-PMACEKPBSA-N 2 0 411.565 3.895 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682824 1006662513 /nfs/dbraw/zinc/66/25/13/1006662513.db2.gz MVRJEQZEMJRUEK-RPWUZVMVSA-N 2 0 406.574 3.917 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000515804330 1006684458 /nfs/dbraw/zinc/68/44/58/1006684458.db2.gz ACSDQEHHEUWFEV-NRFANRHFSA-N 2 0 407.002 3.850 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720395 1006707077 /nfs/dbraw/zinc/70/70/77/1006707077.db2.gz ADVJBVANPOEKQQ-RPWUZVMVSA-N 2 0 406.574 3.738 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000532195467 1006712583 /nfs/dbraw/zinc/71/25/83/1006712583.db2.gz RXJJKJZYTUYIDX-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532197129 1006713899 /nfs/dbraw/zinc/71/38/99/1006713899.db2.gz GQLQEKWFDLKIOS-FDDCHVKYSA-N 2 0 415.603 3.719 20 0 HHADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532211424 1006724531 /nfs/dbraw/zinc/72/45/31/1006724531.db2.gz CJGWCJRZUOQTTQ-PMACEKPBSA-N 2 0 417.619 3.507 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874117 1006729822 /nfs/dbraw/zinc/72/98/22/1006729822.db2.gz FDENRCGDCCAHII-CYFREDJKSA-N 2 0 410.558 3.651 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000532223664 1006733413 /nfs/dbraw/zinc/73/34/13/1006733413.db2.gz RPWBRLRIIPEVMS-XMSQKQJNSA-N 2 0 422.013 3.671 20 0 HHADRP COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000532358796 1006816949 /nfs/dbraw/zinc/81/69/49/1006816949.db2.gz UOHFMPJXLZHHFY-UHFFFAOYSA-N 2 0 413.562 3.533 20 0 HHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)c3ccc(Br)cc3)CC2)C1 ZINC000532448897 1006891248 /nfs/dbraw/zinc/89/12/48/1006891248.db2.gz XVACYJNZCZOYAG-OXQOHEQNSA-N 2 0 422.411 3.812 20 0 HHADRP CN(CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000534954828 1006998861 /nfs/dbraw/zinc/99/88/61/1006998861.db2.gz PLCLRSUUAFQZML-UHFFFAOYSA-N 2 0 417.601 3.997 20 0 HHADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000538724939 1007003623 /nfs/dbraw/zinc/00/36/23/1007003623.db2.gz KGFIMBUEYZSVHF-IBGZPJMESA-N 2 0 418.626 3.928 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCCC4)s3)c2)C1 ZINC000532616005 1007041202 /nfs/dbraw/zinc/04/12/02/1007041202.db2.gz BWOPJRNHZWSPPF-HXUWFJFHSA-N 2 0 412.603 3.788 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538855032 1007129056 /nfs/dbraw/zinc/12/90/56/1007129056.db2.gz JOEKHKOGLOQARW-NRFANRHFSA-N 2 0 401.599 3.594 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516565758 1007159747 /nfs/dbraw/zinc/15/97/47/1007159747.db2.gz AWQNFYBNADUHLE-HYBUGGRVSA-N 2 0 400.611 3.503 20 0 HHADRP CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000538942754 1007226692 /nfs/dbraw/zinc/22/66/92/1007226692.db2.gz GLGMQYRQWVNYHE-UHFFFAOYSA-N 2 0 408.546 3.851 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000538943435 1007227898 /nfs/dbraw/zinc/22/78/98/1007227898.db2.gz LQWDOGOEWMDHQY-NRFANRHFSA-N 2 0 420.601 3.505 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccccc1Cl ZINC000538944136 1007228367 /nfs/dbraw/zinc/22/83/67/1007228367.db2.gz MVBUMIKKYZHJBE-HXUWFJFHSA-N 2 0 403.954 3.713 20 0 HHADRP C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944343 1007228707 /nfs/dbraw/zinc/22/87/07/1007228707.db2.gz OPLJBLAXKMCDQC-UHFFFAOYSA-N 2 0 419.566 3.623 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000532866755 1007254226 /nfs/dbraw/zinc/25/42/26/1007254226.db2.gz VXKIAJLXAODVAQ-UHFFFAOYSA-N 2 0 414.553 3.864 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000516765782 1007280281 /nfs/dbraw/zinc/28/02/81/1007280281.db2.gz QNJQKUUXHFLGTM-RBBKRZOGSA-N 2 0 413.537 3.974 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004841 1007303226 /nfs/dbraw/zinc/30/32/26/1007303226.db2.gz XVKGJUDJCZKUMR-SFTDATJTSA-N 2 0 421.589 3.602 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532956656 1007322797 /nfs/dbraw/zinc/32/27/97/1007322797.db2.gz CWACNOQXJUXNPV-XRXFAXGQSA-N 2 0 413.606 3.564 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000539070014 1007362613 /nfs/dbraw/zinc/36/26/13/1007362613.db2.gz DWRPNBXXAIKXEZ-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP COc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2c1 ZINC000539074350 1007364997 /nfs/dbraw/zinc/36/49/97/1007364997.db2.gz WWACXJTWBQPKQW-GOSISDBHSA-N 2 0 405.542 3.991 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000539074314 1007365426 /nfs/dbraw/zinc/36/54/26/1007365426.db2.gz ZXHHSPCEZSXTBM-DEOSSOPVSA-N 2 0 421.585 3.860 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000539075741 1007367565 /nfs/dbraw/zinc/36/75/65/1007367565.db2.gz KIPAVIKMOIVXJH-DLBZAZTESA-N 2 0 410.587 3.870 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084693 1007373573 /nfs/dbraw/zinc/37/35/73/1007373573.db2.gz QCKFRXJBLVKWEA-IIBYNOLFSA-N 2 0 401.938 3.737 20 0 HHADRP CCOc1c(Cl)cccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000517202836 1007503626 /nfs/dbraw/zinc/50/36/26/1007503626.db2.gz AJIOWNHHMYBGFV-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226229 1007510608 /nfs/dbraw/zinc/51/06/08/1007510608.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 2 0 406.618 3.790 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181519 1007522656 /nfs/dbraw/zinc/52/26/56/1007522656.db2.gz CCMGJOHVXXOKQQ-FQEVSTJZSA-N 2 0 402.583 3.747 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000533226742 1007549685 /nfs/dbraw/zinc/54/96/85/1007549685.db2.gz VXDNKUKVIBILJJ-OAQYLSRUSA-N 2 0 403.636 3.753 20 0 HHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000539266268 1007561474 /nfs/dbraw/zinc/56/14/74/1007561474.db2.gz YWLBEGISFMXPRO-SXWKCWPCSA-N 2 0 409.574 3.904 20 0 HHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313799 1007612038 /nfs/dbraw/zinc/61/20/38/1007612038.db2.gz JIPQSVKKTCIEIL-IRFCIJBXSA-N 2 0 418.601 3.798 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000517536031 1007754362 /nfs/dbraw/zinc/75/43/62/1007754362.db2.gz OXRXDBCATWASOD-INIZCTEOSA-N 2 0 406.368 3.825 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517606598 1007809209 /nfs/dbraw/zinc/80/92/09/1007809209.db2.gz DRQRFCUDLPVHEN-OAQYLSRUSA-N 2 0 411.512 3.822 20 0 HHADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000539498513 1007809886 /nfs/dbraw/zinc/80/98/86/1007809886.db2.gz KILHDQXEKOXGEF-MOPGFXCFSA-N 2 0 400.380 3.901 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(c4ccc(O)cc4)CC3)c2)C1 ZINC000539501708 1007812480 /nfs/dbraw/zinc/81/24/80/1007812480.db2.gz GQYTXOCQLUBHLK-RZMWZJFBSA-N 2 0 421.585 3.906 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517636937 1007846093 /nfs/dbraw/zinc/84/60/93/1007846093.db2.gz CESUFMHTBYIQFI-ARNLJNQMSA-N 2 0 424.633 3.947 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653465 1007866247 /nfs/dbraw/zinc/86/62/47/1007866247.db2.gz UYLAGFOJBAEKGY-VWNXMTODSA-N 2 0 420.601 3.541 20 0 HHADRP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cs2)cs1 ZINC000539646790 1007963670 /nfs/dbraw/zinc/96/36/70/1007963670.db2.gz HJWUDUNQJSFUJQ-PBHICJAKSA-N 2 0 408.637 3.923 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535943022 1007975845 /nfs/dbraw/zinc/97/58/45/1007975845.db2.gz JGWCXSQBEAQTLD-YKSBVNFPSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)C2)CC1 ZINC000535970750 1008009225 /nfs/dbraw/zinc/00/92/25/1008009225.db2.gz ZSRWQZMBVLJCEZ-SIKLNZKXSA-N 2 0 419.013 3.850 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884055 1008028715 /nfs/dbraw/zinc/02/87/15/1008028715.db2.gz XPEWMOYKTXBXTH-PMACEKPBSA-N 2 0 406.640 3.941 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884299 1008028785 /nfs/dbraw/zinc/02/87/85/1008028785.db2.gz NVNBHBXJHNEJAY-REWPJTCUSA-N 2 0 416.610 3.642 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000536017421 1008057392 /nfs/dbraw/zinc/05/73/92/1008057392.db2.gz JOJCRVQVASRRDR-SDUSCBPUSA-N 2 0 422.617 3.854 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000539955898 1008204638 /nfs/dbraw/zinc/20/46/38/1008204638.db2.gz OWSAVVXNNPAXKO-XMMPIXPASA-N 2 0 423.605 3.941 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000533927957 1008210979 /nfs/dbraw/zinc/21/09/79/1008210979.db2.gz KOVFZFXPXSJRNB-DHIUTWEWSA-N 2 0 410.537 3.535 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1)CC1CC1 ZINC000540014914 1008238408 /nfs/dbraw/zinc/23/84/08/1008238408.db2.gz AWVZYWDKKKDYOI-HXUWFJFHSA-N 2 0 406.640 3.894 20 0 HHADRP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045058 1008254699 /nfs/dbraw/zinc/25/46/99/1008254699.db2.gz AVMQTXYASWZQKF-LJQANCHMSA-N 2 0 410.562 3.964 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047013 1008256529 /nfs/dbraw/zinc/25/65/29/1008256529.db2.gz LCDNXPWREHVEKT-XXBNENTESA-N 2 0 413.606 3.849 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518316162 1008257459 /nfs/dbraw/zinc/25/74/59/1008257459.db2.gz BGHBRBDUBKSEEK-OAQYLSRUSA-N 2 0 407.002 3.868 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403935 1008290974 /nfs/dbraw/zinc/29/09/74/1008290974.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 2 0 406.574 3.786 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000518453620 1008313906 /nfs/dbraw/zinc/31/39/06/1008313906.db2.gz MCBPQYZMQWSJOO-UHFFFAOYSA-N 2 0 400.611 3.649 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160785 1008316314 /nfs/dbraw/zinc/31/63/14/1008316314.db2.gz KYGCSIKEGVXMBJ-VFNWGFHPSA-N 2 0 419.928 3.876 20 0 HHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000518475228 1008320927 /nfs/dbraw/zinc/32/09/27/1008320927.db2.gz QELWARZFUBIVNZ-LJQANCHMSA-N 2 0 417.594 3.682 20 0 HHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000540180217 1008325217 /nfs/dbraw/zinc/32/52/17/1008325217.db2.gz BXQNMQNIGPBPID-OXQOHEQNSA-N 2 0 422.411 3.812 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000540187192 1008327741 /nfs/dbraw/zinc/32/77/41/1008327741.db2.gz VENOIAZNMUURIQ-SIKLNZKXSA-N 2 0 402.579 3.804 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000518623353 1008369249 /nfs/dbraw/zinc/36/92/49/1008369249.db2.gz FPFQQNJDEXNDIA-CTNGQTDRSA-N 2 0 415.603 3.548 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000540321664 1008379671 /nfs/dbraw/zinc/37/96/71/1008379671.db2.gz TWKWLGHJKDPJGD-UWVAXJGDSA-N 2 0 417.500 3.718 20 0 HHADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000540468469 1008443610 /nfs/dbraw/zinc/44/36/10/1008443610.db2.gz PFISGEOHGXOEDU-FQEVSTJZSA-N 2 0 400.588 3.871 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)c1ccccc1O2 ZINC000540496219 1008455306 /nfs/dbraw/zinc/45/53/06/1008455306.db2.gz YLGWODCEHNOHRW-QHCPKHFHSA-N 2 0 419.569 3.869 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000543008204 1008586029 /nfs/dbraw/zinc/58/60/29/1008586029.db2.gz WTGZMNTWXLFINS-UHFFFAOYSA-N 2 0 415.626 3.842 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036133 1008604710 /nfs/dbraw/zinc/60/47/10/1008604710.db2.gz OYKITXJBJCEVSV-SIKLNZKXSA-N 2 0 401.595 3.503 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543069145 1008646610 /nfs/dbraw/zinc/64/66/10/1008646610.db2.gz IUHVKSMPWXFBGB-OTWHNJEPSA-N 2 0 414.594 3.710 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000543074776 1008652237 /nfs/dbraw/zinc/65/22/37/1008652237.db2.gz XLWGUOLFZJBQFE-WMLDXEAASA-N 2 0 409.596 3.580 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000549142745 1008711159 /nfs/dbraw/zinc/71/11/59/1008711159.db2.gz NZXSLGLNOQQYPL-JWQCQUIFSA-N 2 0 421.585 3.705 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549208211 1008779982 /nfs/dbraw/zinc/77/99/82/1008779982.db2.gz VDUAKUNFWIINSY-UGKGYDQZSA-N 2 0 400.611 3.659 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000549209378 1008780723 /nfs/dbraw/zinc/78/07/23/1008780723.db2.gz MIEMJSTVYNLXSR-DHIUTWEWSA-N 2 0 412.622 3.947 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3-c3ccnn3C)cc2)CC1 ZINC000549238509 1008809839 /nfs/dbraw/zinc/80/98/39/1008809839.db2.gz OSSRVFWCRJQEOR-UHFFFAOYSA-N 2 0 417.601 3.823 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442945 1008819812 /nfs/dbraw/zinc/81/98/12/1008819812.db2.gz MPNHQPPARUKJMA-DENIHFKCSA-N 2 0 401.501 3.596 20 0 HHADRP Cc1cccc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)c1 ZINC000543254271 1008822019 /nfs/dbraw/zinc/82/20/19/1008822019.db2.gz VZPKKLFGRLOYCE-JOCHJYFZSA-N 2 0 409.599 3.972 20 0 HHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549377272 1008960993 /nfs/dbraw/zinc/96/09/93/1008960993.db2.gz KCNMZBDUEITHDC-UHFFFAOYSA-N 2 0 402.560 3.622 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000549391493 1008975661 /nfs/dbraw/zinc/97/56/61/1008975661.db2.gz KNZNGWWGTPEWDG-HSZRJFAPSA-N 2 0 423.605 3.861 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543402165 1008994336 /nfs/dbraw/zinc/99/43/36/1008994336.db2.gz FCQTXJUPYBPCLE-HSZRJFAPSA-N 2 0 412.553 3.526 20 0 HHADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000543403036 1008995026 /nfs/dbraw/zinc/99/50/26/1008995026.db2.gz QDMFLYQYDXIDBQ-VWLOTQADSA-N 2 0 408.590 3.524 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1F ZINC000549468225 1009061893 /nfs/dbraw/zinc/06/18/93/1009061893.db2.gz PKTPCIXXJYLVQU-HXUWFJFHSA-N 2 0 406.933 3.643 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000543523435 1009115039 /nfs/dbraw/zinc/11/50/39/1009115039.db2.gz UKHXFKFWSDDKKP-UHFFFAOYSA-N 2 0 414.638 3.680 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)[C@@H](c2ccccc2)C1 ZINC000543603675 1009208335 /nfs/dbraw/zinc/20/83/35/1009208335.db2.gz JVICSMQGMSJGPA-RPBOFIJWSA-N 2 0 401.558 3.534 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549593329 1009220429 /nfs/dbraw/zinc/22/04/29/1009220429.db2.gz YJTGAIDBIZRVJW-JOCHJYFZSA-N 2 0 412.578 3.654 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543623005 1009229020 /nfs/dbraw/zinc/22/90/20/1009229020.db2.gz YYKVTCHKSOELSA-UHFFFAOYSA-N 2 0 423.649 3.706 20 0 HHADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000543713888 1009316770 /nfs/dbraw/zinc/31/67/70/1009316770.db2.gz OGAZZXKMXBNMCV-QHCPKHFHSA-N 2 0 422.573 3.568 20 0 HHADRP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520264671 1009381640 /nfs/dbraw/zinc/38/16/40/1009381640.db2.gz WVMABWWYZBLDSV-QHCPKHFHSA-N 2 0 412.622 3.505 20 0 HHADRP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C ZINC000549867927 1009487081 /nfs/dbraw/zinc/48/70/81/1009487081.db2.gz IGRFIFDIVNHINI-HSZRJFAPSA-N 2 0 410.606 3.928 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520374162 1009510499 /nfs/dbraw/zinc/51/04/99/1009510499.db2.gz PSHQZVWBWSNYKV-XMMPIXPASA-N 2 0 421.585 3.690 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040036 1009641861 /nfs/dbraw/zinc/64/18/61/1009641861.db2.gz TXYXZIUXUQOLQY-OALUTQOASA-N 2 0 414.594 3.710 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578642 1009658737 /nfs/dbraw/zinc/65/87/37/1009658737.db2.gz VUOCDASTXJTOET-FYYLOGMGSA-N 2 0 400.611 3.879 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000520613115 1009688564 /nfs/dbraw/zinc/68/85/64/1009688564.db2.gz RNAFPBWXBQDZTO-RTWAWAEBSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105657 1009705323 /nfs/dbraw/zinc/70/53/23/1009705323.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 2 0 421.560 3.942 20 0 HHADRP CCN1CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544182359 1009786486 /nfs/dbraw/zinc/78/64/86/1009786486.db2.gz YAQXLYUQCCCASV-IFMALSPDSA-N 2 0 415.463 3.918 20 0 HHADRP Cc1cccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189721 1009792939 /nfs/dbraw/zinc/79/29/39/1009792939.db2.gz JKRJULNKWFJHAK-URXFXBBRSA-N 2 0 405.586 3.954 20 0 HHADRP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000550280389 1009827946 /nfs/dbraw/zinc/82/79/46/1009827946.db2.gz LLBPXIWFMJNNKX-ZFGGDYGUSA-N 2 0 415.622 3.635 20 0 HHADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000544223467 1009832762 /nfs/dbraw/zinc/83/27/62/1009832762.db2.gz GOPVVFFTZCEBDE-SZPZYZBQSA-N 2 0 423.601 3.938 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782619 1009850916 /nfs/dbraw/zinc/85/09/16/1009850916.db2.gz YFKAOOPCUFCITG-PMACEKPBSA-N 2 0 401.599 3.521 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccco1 ZINC000520878479 1009933494 /nfs/dbraw/zinc/93/34/94/1009933494.db2.gz CACZNAWQWVKPDL-NRFANRHFSA-N 2 0 404.599 3.960 20 0 HHADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544368674 1009996697 /nfs/dbraw/zinc/99/66/97/1009996697.db2.gz QSHGMQXJBVAHST-FXAWDEMLSA-N 2 0 410.965 3.599 20 0 HHADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544368677 1009996866 /nfs/dbraw/zinc/99/68/66/1009996866.db2.gz QSHGMQXJBVAHST-YLJYHZDGSA-N 2 0 410.965 3.599 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000550611892 1010064427 /nfs/dbraw/zinc/06/44/27/1010064427.db2.gz DPYZIFUNCCYWQQ-FQEVSTJZSA-N 2 0 424.358 3.886 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000521068874 1010086932 /nfs/dbraw/zinc/08/69/32/1010086932.db2.gz PDVACXGBHSOTBI-IBGZPJMESA-N 2 0 408.999 3.778 20 0 HHADRP c1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2cncnc2)cc1 ZINC000544566029 1010195405 /nfs/dbraw/zinc/19/54/05/1010195405.db2.gz SDXPXRWNQXYPQS-RUZDIDTESA-N 2 0 401.558 3.758 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)CC1 ZINC000544595441 1010221737 /nfs/dbraw/zinc/22/17/37/1010221737.db2.gz WXFYDASQOULZSR-UHFFFAOYSA-N 2 0 401.929 3.791 20 0 HHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@H](n2cncn2)C1 ZINC000550882964 1010240056 /nfs/dbraw/zinc/24/00/56/1010240056.db2.gz UHAZVIASYNNCIX-AYVPJYCDSA-N 2 0 423.605 3.526 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)CC3 ZINC000547318668 1010251921 /nfs/dbraw/zinc/25/19/21/1010251921.db2.gz LKHHCHKXZDIJMD-IBGZPJMESA-N 2 0 410.606 3.574 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000547326748 1010253624 /nfs/dbraw/zinc/25/36/24/1010253624.db2.gz NMBOOZAVVSCBKN-NHCUHLMSSA-N 2 0 415.622 3.672 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547502905 1010330135 /nfs/dbraw/zinc/33/01/35/1010330135.db2.gz KUWQYYYJBIIIFB-BCWJEPCDSA-N 2 0 403.570 3.644 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505546 1010332483 /nfs/dbraw/zinc/33/24/83/1010332483.db2.gz TYFCKQDKIUTYAK-SQJMNOBHSA-N 3 0 407.602 3.644 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000521428870 1010371887 /nfs/dbraw/zinc/37/18/87/1010371887.db2.gz ZWKASARHLJKBPF-HNNXBMFYSA-N 2 0 401.473 3.966 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)CC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000547732193 1010406244 /nfs/dbraw/zinc/40/62/44/1010406244.db2.gz ZHECFXOPKXUEOJ-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP Cc1ccc(-n2cc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000551184756 1010424907 /nfs/dbraw/zinc/42/49/07/1010424907.db2.gz HIDHWCSQGSLVPK-HXUWFJFHSA-N 2 0 421.564 3.712 20 0 HHADRP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827902 1010441593 /nfs/dbraw/zinc/44/15/93/1010441593.db2.gz YQXUEGXPHCBEMB-GMAHTHKFSA-N 2 0 420.601 3.590 20 0 HHADRP CC(C)[NH+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000521593427 1010490103 /nfs/dbraw/zinc/49/01/03/1010490103.db2.gz BZLUDBLDQWFKRJ-UHFFFAOYSA-N 2 0 409.018 3.970 20 0 HHADRP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154455 1010546860 /nfs/dbraw/zinc/54/68/60/1010546860.db2.gz FNBPUSWBAMQLKY-HUVFLSCGSA-N 2 0 423.601 3.778 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155510 1010547328 /nfs/dbraw/zinc/54/73/28/1010547328.db2.gz XHBFWGWEKMYYMM-MIZPHKNDSA-N 2 0 421.585 3.905 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000548175680 1010552755 /nfs/dbraw/zinc/55/27/55/1010552755.db2.gz GHETUDGFPLWLDC-XMMPIXPASA-N 2 0 406.574 3.633 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000521697079 1010557963 /nfs/dbraw/zinc/55/79/63/1010557963.db2.gz NLRQQDNAICYGEX-JOCHJYFZSA-N 2 0 413.610 3.619 20 0 HHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000521700173 1010560572 /nfs/dbraw/zinc/56/05/72/1010560572.db2.gz VFTNPZNJJUZMCC-RTBURBONSA-N 2 0 404.624 3.662 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000521726539 1010576956 /nfs/dbraw/zinc/57/69/56/1010576956.db2.gz SOGSEPFYBBFQKO-DEOSSOPVSA-N 2 0 407.558 3.517 20 0 HHADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000521779910 1010613539 /nfs/dbraw/zinc/61/35/39/1010613539.db2.gz LAOBBSWKBBTPJP-NRFANRHFSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487167 1010643664 /nfs/dbraw/zinc/64/36/64/1010643664.db2.gz BBYHXRGQHIOTBL-BBVWWWHTSA-N 3 0 407.602 3.644 20 0 HHADRP CN(CCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000548606319 1010679069 /nfs/dbraw/zinc/67/90/69/1010679069.db2.gz XYWDTTNMNYOXPW-QFIPXVFZSA-N 2 0 416.516 3.918 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875433 1010679693 /nfs/dbraw/zinc/67/96/93/1010679693.db2.gz BOOCRRFIEKHXHC-CTNGQTDRSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548773954 1010727617 /nfs/dbraw/zinc/72/76/17/1010727617.db2.gz CHJOINPLCKEZMH-FKIWKMFDSA-N 2 0 408.586 3.942 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000548815031 1010736657 /nfs/dbraw/zinc/73/66/57/1010736657.db2.gz LBDRAGZLSMTSFG-RTWAWAEBSA-N 2 0 418.969 3.553 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521991199 1010752944 /nfs/dbraw/zinc/75/29/44/1010752944.db2.gz UJFXOMIVROLMAE-PMACEKPBSA-N 2 0 400.592 3.796 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000522308076 1010920943 /nfs/dbraw/zinc/92/09/43/1010920943.db2.gz XGFPYHPEINCUDD-NRFANRHFSA-N 2 0 414.619 3.967 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000522406694 1010987342 /nfs/dbraw/zinc/98/73/42/1010987342.db2.gz SJDGXIBJOWMADV-DNQXCXABSA-N 2 0 421.589 3.619 20 0 HHADRP CCCN(C(=O)NC[C@H]1CC[NH+](CCC)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522433682 1011009160 /nfs/dbraw/zinc/00/91/60/1011009160.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccccc1-c1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000540598239 1011254149 /nfs/dbraw/zinc/25/41/49/1011254149.db2.gz CFGMXLIKSFPOSL-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155707 1011280559 /nfs/dbraw/zinc/28/05/59/1011280559.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 2 0 406.574 3.784 20 0 HHADRP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231963 1011380967 /nfs/dbraw/zinc/38/09/67/1011380967.db2.gz IWUBAAPWKCYTJR-ZEQRLZLVSA-N 2 0 406.574 3.738 20 0 HHADRP C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540766485 1011421462 /nfs/dbraw/zinc/42/14/62/1011421462.db2.gz VMISEAGWHPJSMI-LJQANCHMSA-N 2 0 415.603 3.647 20 0 HHADRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540789095 1011450068 /nfs/dbraw/zinc/45/00/68/1011450068.db2.gz QTRPOUUINIIDMX-LJQANCHMSA-N 2 0 411.594 3.726 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)c(C)c2c1 ZINC000540789812 1011450667 /nfs/dbraw/zinc/45/06/67/1011450667.db2.gz VWFCSPKYRJFICL-GCJKJVERSA-N 2 0 423.557 3.690 20 0 HHADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540984605 1011617485 /nfs/dbraw/zinc/61/74/85/1011617485.db2.gz ORLOSZOJQZGHLM-UHFFFAOYSA-N 2 0 417.960 3.702 20 0 HHADRP C[C@@H](O)C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536413849 1011627331 /nfs/dbraw/zinc/62/73/31/1011627331.db2.gz YEYAQBVRLKTVQI-QUCCMNQESA-N 2 0 401.982 3.736 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000536427292 1011646762 /nfs/dbraw/zinc/64/67/62/1011646762.db2.gz GRQRCVABOUGLQN-DEOSSOPVSA-N 2 0 406.574 3.811 20 0 HHADRP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536488178 1011700189 /nfs/dbraw/zinc/70/01/89/1011700189.db2.gz LZBMXYQDTGQCDQ-NRFANRHFSA-N 2 0 421.585 3.688 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494038 1011702844 /nfs/dbraw/zinc/70/28/44/1011702844.db2.gz VNBNORYOLQTBJO-SQGPQFPESA-N 2 0 410.965 3.598 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000523300897 1011780225 /nfs/dbraw/zinc/78/02/25/1011780225.db2.gz WQTROVHLLRLLEK-IBGZPJMESA-N 2 0 406.640 3.724 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)C1CC[NH+](C)CC1 ZINC000536667248 1011821711 /nfs/dbraw/zinc/82/17/11/1011821711.db2.gz UDGKCHCWDWJPLC-XMMPIXPASA-N 2 0 415.622 3.767 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000541212148 1011883290 /nfs/dbraw/zinc/88/32/90/1011883290.db2.gz LYOGMLXRNLMJGL-CQSZACIVSA-N 2 0 421.891 3.778 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000523437526 1011927915 /nfs/dbraw/zinc/92/79/15/1011927915.db2.gz SZSWTZKCEQYRJG-UHFFFAOYSA-N 2 0 410.400 3.509 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000536762182 1011959073 /nfs/dbraw/zinc/95/90/73/1011959073.db2.gz KOOKPSLPNLZPCH-NZQKXSOJSA-N 2 0 421.589 3.650 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770383 1011973861 /nfs/dbraw/zinc/97/38/61/1011973861.db2.gz CZYIKMOBYJKCIO-IRLDBZIGSA-N 2 0 413.610 3.594 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc4cc(C)nn4c3C)CC2)cc1 ZINC000536772272 1011977384 /nfs/dbraw/zinc/97/73/84/1011977384.db2.gz PZTSOJRDXCCYCO-GOSISDBHSA-N 2 0 407.562 3.918 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839718 1012070164 /nfs/dbraw/zinc/07/01/64/1012070164.db2.gz OGNDYRZBONWNCD-YROCYRMSSA-N 2 0 415.965 3.903 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2c3ccccc3OCC2=O)CC1 ZINC000552061795 1012079971 /nfs/dbraw/zinc/07/99/71/1012079971.db2.gz AESZYNPIKWPZIA-UHFFFAOYSA-N 2 0 407.558 3.835 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC000552067617 1012086129 /nfs/dbraw/zinc/08/61/29/1012086129.db2.gz RJMLLEZBXBUKLX-CAOCKLPOSA-N 2 0 420.601 3.699 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857850 1012091241 /nfs/dbraw/zinc/09/12/41/1012091241.db2.gz NKMDMTKRDWAVDE-GOSISDBHSA-N 2 0 403.592 3.628 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000541375526 1012092129 /nfs/dbraw/zinc/09/21/29/1012092129.db2.gz VPJFEGQRWKIGSN-CQSZACIVSA-N 2 0 401.308 3.895 20 0 HHADRP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000536866387 1012102808 /nfs/dbraw/zinc/10/28/08/1012102808.db2.gz ZSRFWWGYJJLWIW-BSRJHKFKSA-N 2 0 415.603 3.501 20 0 HHADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000552090931 1012107697 /nfs/dbraw/zinc/10/76/97/1012107697.db2.gz XMFHTJDRJRDGMJ-XLMAVXFVSA-N 2 0 407.628 3.696 20 0 HHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)c3cccc(Br)c3)CC2)C1 ZINC000536869154 1012108477 /nfs/dbraw/zinc/10/84/77/1012108477.db2.gz IXZNTDGLMHSBMX-OXQOHEQNSA-N 2 0 422.411 3.812 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000541389615 1012112013 /nfs/dbraw/zinc/11/20/13/1012112013.db2.gz HXKCBULFKYDLQQ-UHFFFAOYSA-N 2 0 415.497 3.718 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000552103334 1012120171 /nfs/dbraw/zinc/12/01/71/1012120171.db2.gz MQACNERTQLHJIF-UHFFFAOYSA-N 2 0 424.029 3.605 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000523616084 1012188581 /nfs/dbraw/zinc/18/85/81/1012188581.db2.gz OKQKYBIYHPQMEU-UNMCSNQZSA-N 2 0 415.626 3.588 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000552247458 1012258019 /nfs/dbraw/zinc/25/80/19/1012258019.db2.gz PQMCOKCHXVTMFS-RBUKOAKNSA-N 2 0 422.552 3.960 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@H]21 ZINC000552255859 1012266829 /nfs/dbraw/zinc/26/68/29/1012266829.db2.gz XNJDYMKQOJNCCU-TZRRMPRUSA-N 2 0 423.580 3.510 20 0 HHADRP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278082 1012291408 /nfs/dbraw/zinc/29/14/08/1012291408.db2.gz TURMUWLKRLXYCI-CVDCTZTESA-N 2 0 409.574 3.863 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000523749450 1012373653 /nfs/dbraw/zinc/37/36/53/1012373653.db2.gz QEKUWCOMQUFSED-NFBKMPQASA-N 2 0 424.589 3.710 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403564 1012416286 /nfs/dbraw/zinc/41/62/86/1012416286.db2.gz JTYAVWIIIOIGLQ-BHIFYINESA-N 2 0 413.512 3.705 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000523784502 1012435362 /nfs/dbraw/zinc/43/53/62/1012435362.db2.gz YDBQOIXSVVAPSL-UHFFFAOYSA-N 2 0 413.610 3.557 20 0 HHADRP CC1CCC([NH+]2CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)CC1 ZINC000523784775 1012435823 /nfs/dbraw/zinc/43/58/23/1012435823.db2.gz GVPHVRJDWPBGOH-SOAGJPPSSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H](C[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000537115148 1012491285 /nfs/dbraw/zinc/49/12/85/1012491285.db2.gz FUKQLTAZTXWKRU-ZRGWGRIASA-N 2 0 412.441 3.705 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523832689 1012520157 /nfs/dbraw/zinc/52/01/57/1012520157.db2.gz IAJZQBDTLXXEIE-NFBKMPQASA-N 2 0 406.574 3.635 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)c1ccccc1O2 ZINC000537166897 1012568994 /nfs/dbraw/zinc/56/89/94/1012568994.db2.gz ICOKJPANCRDXBA-XMMPIXPASA-N 2 0 421.585 3.597 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000552556654 1012569603 /nfs/dbraw/zinc/56/96/03/1012569603.db2.gz FDFUVWXTHQUARR-HNNXBMFYSA-N 2 0 405.464 3.780 20 0 HHADRP CC[NH+]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607525 1012609384 /nfs/dbraw/zinc/60/93/84/1012609384.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 2 0 414.594 3.929 20 0 HHADRP CC[NH+]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607526 1012609532 /nfs/dbraw/zinc/60/95/32/1012609532.db2.gz BCDWDIRLXQCCNV-VXKWHMMOSA-N 2 0 414.594 3.929 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)c1ccco1 ZINC000523937544 1012669683 /nfs/dbraw/zinc/66/96/83/1012669683.db2.gz UEYDAWCXQBLVNB-MOPGFXCFSA-N 2 0 402.539 3.700 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000523939329 1012673470 /nfs/dbraw/zinc/67/34/70/1012673470.db2.gz JASJTFQCUNSPOP-UXHICEINSA-N 2 0 414.550 3.844 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000541812110 1012697208 /nfs/dbraw/zinc/69/72/08/1012697208.db2.gz CFFWYRLTSDVQFI-VAMGGRTRSA-N 2 0 400.611 3.515 20 0 HHADRP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752040 /nfs/dbraw/zinc/75/20/40/1012752040.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 2 0 424.658 3.537 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918440 1012776700 /nfs/dbraw/zinc/77/67/00/1012776700.db2.gz BBIMBRDFAZRKFO-HXOBKFHXSA-N 2 0 408.521 3.737 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397189 1012880326 /nfs/dbraw/zinc/88/03/26/1012880326.db2.gz RMMJHWSQNKLQDJ-SQJMNOBHSA-N 2 0 407.606 3.542 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000524156080 1012947034 /nfs/dbraw/zinc/94/70/34/1012947034.db2.gz HSVDDMKWQTWTKZ-INIZCTEOSA-N 2 0 410.400 3.679 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000542079019 1013000071 /nfs/dbraw/zinc/00/00/71/1013000071.db2.gz IMTPWDXGOKPBJX-OAQYLSRUSA-N 2 0 404.599 3.960 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271717 1072043678 /nfs/dbraw/zinc/04/36/78/1072043678.db2.gz IFTJNDKNSWIXAP-LEWJYISDSA-N 2 0 412.599 3.979 20 0 HHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC001168312293 1072492871 /nfs/dbraw/zinc/49/28/71/1072492871.db2.gz ORXXJLKIOSWGIU-OFVLBHHSSA-N 2 0 422.411 3.953 20 0 HHADRP COC(=O)c1ccc([C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001168314334 1072493982 /nfs/dbraw/zinc/49/39/82/1072493982.db2.gz FACMNTZSGUSUDS-SOAGJPPSSA-N 2 0 419.566 3.501 20 0 HHADRP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168318886 1072497128 /nfs/dbraw/zinc/49/71/28/1072497128.db2.gz HQIHEBHEMXKGEU-UXIGSVSMSA-N 2 0 406.574 3.799 20 0 HHADRP CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)OC2)CC1 ZINC001168351177 1072533590 /nfs/dbraw/zinc/53/35/90/1072533590.db2.gz KIVYRTRTSUHPFQ-NRFANRHFSA-N 2 0 421.626 3.647 20 0 HHADRP COc1ccc([C@H]([NH3+])[C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(OC)cc2)cc1 ZINC001168362921 1072885114 /nfs/dbraw/zinc/88/51/14/1072885114.db2.gz NFGXUAYZKAVAAR-DQEYMECFSA-N 2 0 409.574 3.909 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=C(c2ccccc2)CCCC1 ZINC001142613075 1072995314 /nfs/dbraw/zinc/99/53/14/1072995314.db2.gz LULPZFYNDBSZPM-UHFFFAOYSA-N 2 0 404.558 3.738 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104913 /nfs/dbraw/zinc/10/49/13/1073104913.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 2 0 415.622 3.878 20 0 HHADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555088871 1073148924 /nfs/dbraw/zinc/14/89/24/1073148924.db2.gz AIEQIVWEQPMUDW-RPWUZVMVSA-N 2 0 408.590 3.805 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588709377 1073154920 /nfs/dbraw/zinc/15/49/20/1073154920.db2.gz AKMRXPOHFKZUNG-FCGDIQPGSA-N 2 0 422.013 3.727 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709375 1073155076 /nfs/dbraw/zinc/15/50/76/1073155076.db2.gz AKMRXPOHFKZUNG-AKHDSKFASA-N 2 0 422.013 3.727 20 0 HHADRP CC1(C)CC(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000555158405 1073220439 /nfs/dbraw/zinc/22/04/39/1073220439.db2.gz DTIHRUSFQVVYJU-HXUWFJFHSA-N 2 0 400.611 3.897 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccco1 ZINC000572192297 1073224769 /nfs/dbraw/zinc/22/47/69/1073224769.db2.gz ACIMWIVMXOOPSR-BZUAXINKSA-N 2 0 403.489 3.688 20 0 HHADRP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000555338470 1073352242 /nfs/dbraw/zinc/35/22/42/1073352242.db2.gz DRSMPOSABMLURE-RUZDIDTESA-N 2 0 421.585 3.921 20 0 HHADRP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000555338471 1073352368 /nfs/dbraw/zinc/35/23/68/1073352368.db2.gz DRSMPOSABMLURE-VWLOTQADSA-N 2 0 421.585 3.921 20 0 HHADRP COc1cc(NC(=O)CC[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)cc1Cl ZINC000555900321 1073950660 /nfs/dbraw/zinc/95/06/60/1073950660.db2.gz OFHSNIHPUULAAH-IYBDPMFKSA-N 2 0 411.974 3.643 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786370 1074003467 /nfs/dbraw/zinc/00/34/67/1074003467.db2.gz UJWJZRXHKKYLQW-GOSISDBHSA-N 2 0 410.002 3.618 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591447031 1074302949 /nfs/dbraw/zinc/30/29/49/1074302949.db2.gz TZIYZGYSUNSSAP-HXUWFJFHSA-N 2 0 401.595 3.934 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542078 1074377182 /nfs/dbraw/zinc/37/71/82/1074377182.db2.gz VMYIKPOHVYOFSA-PMACEKPBSA-N 2 0 404.624 3.791 20 0 HHADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000591543705 1074380101 /nfs/dbraw/zinc/38/01/01/1074380101.db2.gz XJPAASDPYRKRAM-UHFFFAOYSA-N 2 0 401.382 3.551 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000591701286 1074495699 /nfs/dbraw/zinc/49/56/99/1074495699.db2.gz MWOWBPRNSTZDIV-HXUWFJFHSA-N 2 0 421.589 3.804 20 0 HHADRP Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000592463130 1074760861 /nfs/dbraw/zinc/76/08/61/1074760861.db2.gz IXTLAYAVOSHKON-HXUWFJFHSA-N 2 0 401.501 3.808 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592475297 1074763372 /nfs/dbraw/zinc/76/33/72/1074763372.db2.gz QQWHVDCIWPSEIO-DYESRHJHSA-N 2 0 404.986 3.793 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592481325 1074766410 /nfs/dbraw/zinc/76/64/10/1074766410.db2.gz IQCHQBXHZODBQF-UHFFFAOYSA-N 2 0 421.029 3.972 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000592487473 1074768497 /nfs/dbraw/zinc/76/84/97/1074768497.db2.gz RHZDGFRKNGRWID-MZKRTTBSSA-N 2 0 412.622 3.981 20 0 HHADRP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000574086972 1075162082 /nfs/dbraw/zinc/16/20/82/1075162082.db2.gz UJUHQNSJKFEJJF-UHFFFAOYSA-N 2 0 401.576 3.586 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000593500113 1075204767 /nfs/dbraw/zinc/20/47/67/1075204767.db2.gz MVZWIMRFCNLXQI-JOCHJYFZSA-N 2 0 410.562 3.803 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000593809745 1075227389 /nfs/dbraw/zinc/22/73/89/1075227389.db2.gz NQVCJKZTQBJNLD-DQEYMECFSA-N 2 0 414.553 3.667 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594967947 1075389123 /nfs/dbraw/zinc/38/91/23/1075389123.db2.gz SNXFPIAPXFQJDC-HSZRJFAPSA-N 2 0 406.574 3.699 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000595637220 1075495123 /nfs/dbraw/zinc/49/51/23/1075495123.db2.gz UPAJVEWQALGEMU-QHCPKHFHSA-N 2 0 400.611 3.647 20 0 HHADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164740263 720594243 /nfs/dbraw/zinc/59/42/43/720594243.db2.gz ICLPNIHXDZYGLP-QHCPKHFHSA-N 2 0 422.621 3.874 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164837700 720725643 /nfs/dbraw/zinc/72/56/43/720725643.db2.gz GVXBTJLHYDGHST-XMMPIXPASA-N 2 0 420.601 3.937 20 0 HHADRP c1cc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754798 720872611 /nfs/dbraw/zinc/87/26/11/720872611.db2.gz SEMDOPNEHGHSJF-SQJMNOBHSA-N 2 0 417.557 3.713 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768938 721235402 /nfs/dbraw/zinc/23/54/02/721235402.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 2 0 422.621 3.710 20 0 HHADRP Cc1cccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777004 721329821 /nfs/dbraw/zinc/32/98/21/721329821.db2.gz JWCCRXIACVALTE-DHLKQENFSA-N 2 0 422.573 3.524 20 0 HHADRP Cc1ccc(N(c2ccc(C[N@@H+](C)C3CC3)cn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164972258 722078697 /nfs/dbraw/zinc/07/86/97/722078697.db2.gz ZAARCCJIDYGDKC-UHFFFAOYSA-N 2 0 414.557 3.932 20 0 HHADRP CCOC1CC(CNc2ccnc3ccc(Br)cc32)(N2CCOCC2)C1 ZINC000302809066 971328660 /nfs/dbraw/zinc/32/86/60/971328660.db2.gz GOUJQOZFQZPNPB-UHFFFAOYSA-N 2 0 420.351 3.679 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000542141517 1013075395 /nfs/dbraw/zinc/07/53/95/1013075395.db2.gz XMNKEOFPCUSUIC-AWEZNQCLSA-N 2 0 409.596 3.721 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000542141620 1013075887 /nfs/dbraw/zinc/07/58/87/1013075887.db2.gz FJHGIFIOXGIFKX-CQSZACIVSA-N 2 0 421.607 3.723 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000542152172 1013088209 /nfs/dbraw/zinc/08/82/09/1013088209.db2.gz JOISHIRTNYQRQZ-OAHLLOKOSA-N 2 0 400.567 3.651 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000524288467 1013095731 /nfs/dbraw/zinc/09/57/31/1013095731.db2.gz CPKQVHNSQPARRC-QHCPKHFHSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000303440195 971729364 /nfs/dbraw/zinc/72/93/64/971729364.db2.gz FOOSCUYVFPQFRT-VRBKOIECSA-N 2 0 412.622 3.993 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303481718 971781085 /nfs/dbraw/zinc/78/10/85/971781085.db2.gz PYJWFCKSQDGVCM-UHFFFAOYSA-N 2 0 406.640 3.916 20 0 HHADRP C[C@@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303735843 971988655 /nfs/dbraw/zinc/98/86/55/971988655.db2.gz GMJPQYDUSLGUKG-CZSZKKDXSA-N 2 0 405.586 3.945 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000524307297 1013121717 /nfs/dbraw/zinc/12/17/17/1013121717.db2.gz RDCGALUDXRAXIP-UHFFFAOYSA-N 2 0 411.981 3.988 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000303777328 972022127 /nfs/dbraw/zinc/02/21/27/972022127.db2.gz CKKJCESCMOJDAP-IBGZPJMESA-N 2 0 412.553 3.693 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000303785782 972026297 /nfs/dbraw/zinc/02/62/97/972026297.db2.gz DMAYZHJXCJSKLP-URXFXBBRSA-N 2 0 408.590 3.904 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000542185561 1013126974 /nfs/dbraw/zinc/12/69/74/1013126974.db2.gz MBEKXMXJHFPETN-NNMXDRDESA-N 2 0 423.557 3.691 20 0 HHADRP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000537626888 1013176276 /nfs/dbraw/zinc/17/62/76/1013176276.db2.gz HTSZSSGGQABZSX-RUZDIDTESA-N 2 0 420.601 3.844 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631303 1013185622 /nfs/dbraw/zinc/18/56/22/1013185622.db2.gz JYLXTZYWRXSBCD-OAQYLSRUSA-N 2 0 414.638 3.593 20 0 HHADRP COc1c(Br)cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000537636386 1013191475 /nfs/dbraw/zinc/19/14/75/1013191475.db2.gz ISKWNPDZDVVKJL-UHFFFAOYSA-N 2 0 420.189 3.994 20 0 HHADRP O=C(C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553253588 1013220467 /nfs/dbraw/zinc/22/04/67/1013220467.db2.gz RYNJXUIYAOQASB-HSZRJFAPSA-N 2 0 411.977 3.956 20 0 HHADRP CC1CC[NH+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000007351627 961139727 /nfs/dbraw/zinc/13/97/27/961139727.db2.gz LKLVQJIEWHVDIT-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000553313442 1013266624 /nfs/dbraw/zinc/26/66/24/1013266624.db2.gz LZQCMGMDXFLJBH-FQEVSTJZSA-N 2 0 407.986 3.768 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000537745369 1013308815 /nfs/dbraw/zinc/30/88/15/1013308815.db2.gz PXDUJHHPQMGZJR-UHFFFAOYSA-N 2 0 415.626 3.986 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445871 1013359441 /nfs/dbraw/zinc/35/94/41/1013359441.db2.gz FQHMGOJIVWTJSM-RDGATRHJSA-N 2 0 412.622 3.949 20 0 HHADRP COc1cc(NCC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469694 1013377914 /nfs/dbraw/zinc/37/79/14/1013377914.db2.gz ZIZSDVFWMMGCDZ-QFIPXVFZSA-N 2 0 411.546 3.694 20 0 HHADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC1CC1 ZINC000537849832 1013417831 /nfs/dbraw/zinc/41/78/31/1013417831.db2.gz UUQUIEGMHHTSBZ-UHFFFAOYSA-N 2 0 402.970 3.682 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537856081 1013424766 /nfs/dbraw/zinc/42/47/66/1013424766.db2.gz AQPFNEWTSPDCKL-HSZRJFAPSA-N 2 0 409.578 3.680 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537856083 1013424960 /nfs/dbraw/zinc/42/49/60/1013424960.db2.gz AQPFNEWTSPDCKL-QHCPKHFHSA-N 2 0 409.578 3.680 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887617 1013469010 /nfs/dbraw/zinc/46/90/10/1013469010.db2.gz MVVOQMILBUXSMV-JTHBVZDNSA-N 2 0 409.574 3.942 20 0 HHADRP C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537962375 1013540293 /nfs/dbraw/zinc/54/02/93/1013540293.db2.gz WUBAZAMYYCYQCQ-QRWLVFNGSA-N 2 0 407.352 3.774 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028314676 965073250 /nfs/dbraw/zinc/07/32/50/965073250.db2.gz AQYKDTVWUUTMNP-UHFFFAOYSA-N 2 0 406.530 3.600 20 0 HHADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980946 1013557034 /nfs/dbraw/zinc/55/70/34/1013557034.db2.gz QJNIVBMNYAYFHT-MBSDFSHPSA-N 2 0 415.603 3.563 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029370873 965361235 /nfs/dbraw/zinc/36/12/35/965361235.db2.gz UBVKCAYLHNHICF-UHFFFAOYSA-N 2 0 406.574 3.985 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054092727 965380114 /nfs/dbraw/zinc/38/01/14/965380114.db2.gz AFWSTIIXVUVKSB-UHFFFAOYSA-N 2 0 406.574 3.746 20 0 HHADRP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819220 965555350 /nfs/dbraw/zinc/55/53/50/965555350.db2.gz VOWCSXZFBSMYMW-HSZRJFAPSA-N 2 0 406.574 3.843 20 0 HHADRP COc1ccc(CN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C2CC2)cc1 ZINC000057888619 965572713 /nfs/dbraw/zinc/57/27/13/965572713.db2.gz WTENSKQDLNXQNU-UHFFFAOYSA-N 2 0 413.606 3.774 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951601 966044987 /nfs/dbraw/zinc/04/49/87/966044987.db2.gz JQHJMCZUVWFZAI-RPWUZVMVSA-N 2 0 409.574 3.859 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059986353 966047222 /nfs/dbraw/zinc/04/72/22/966047222.db2.gz ZTSAJWAFJDMRSB-WOJBJXKFSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000542712716 1013625225 /nfs/dbraw/zinc/62/52/25/1013625225.db2.gz MITNESBXMNLKML-NZQKXSOJSA-N 2 0 400.611 3.831 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[NH+](C)C)cc1 ZINC000061222591 966400106 /nfs/dbraw/zinc/40/01/06/966400106.db2.gz JHYKADOLOMJKIW-DEOSSOPVSA-N 2 0 408.590 3.947 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)cc2)C1 ZINC000056846235 966490724 /nfs/dbraw/zinc/49/07/24/966490724.db2.gz TWWRXQKFRSYRNC-HXUWFJFHSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000061530701 966491543 /nfs/dbraw/zinc/49/15/43/966491543.db2.gz GLRJZVOLSXEBMQ-QZTJIDSGSA-N 2 0 407.002 3.867 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000061530235 966491635 /nfs/dbraw/zinc/49/16/35/966491635.db2.gz WFCCMIVOODXIAL-UHFFFAOYSA-N 2 0 418.651 3.689 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000061550873 966498318 /nfs/dbraw/zinc/49/83/18/966498318.db2.gz CTCNXURMEAMONF-OYRHEFFESA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061553378 966499106 /nfs/dbraw/zinc/49/91/06/966499106.db2.gz UPORCTCAOQPIDS-UHFFFAOYSA-N 2 0 420.601 3.919 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000056950145 966527065 /nfs/dbraw/zinc/52/70/65/966527065.db2.gz LFFHVCRHLUDHOL-HSZRJFAPSA-N 2 0 412.553 3.701 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000061795011 966558483 /nfs/dbraw/zinc/55/84/83/966558483.db2.gz XQOHQTRBWVPVQX-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528448 966698281 /nfs/dbraw/zinc/69/82/81/966698281.db2.gz PJJKSGWKJAWBSI-UHFFFAOYSA-N 2 0 418.601 3.944 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063331952 966822836 /nfs/dbraw/zinc/82/28/36/966822836.db2.gz GZPWRJWSEGSDRB-UHFFFAOYSA-N 2 0 416.585 3.744 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043231720 966933217 /nfs/dbraw/zinc/93/32/17/966933217.db2.gz NSXOATKVDRCFLA-OAQYLSRUSA-N 2 0 412.603 3.803 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043489982 966982212 /nfs/dbraw/zinc/98/22/12/966982212.db2.gz HFFGDEYGZSJVFB-UHFFFAOYSA-N 2 0 403.615 3.579 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000064224219 967090697 /nfs/dbraw/zinc/09/06/97/967090697.db2.gz CGNAVXIRUDKBNB-UHFFFAOYSA-N 2 0 412.553 3.741 20 0 HHADRP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000064336903 967145800 /nfs/dbraw/zinc/14/58/00/967145800.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 2 0 411.512 3.678 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844327 1013704293 /nfs/dbraw/zinc/70/42/93/1013704293.db2.gz RIBXIMPOQWCISN-DENIHFKCSA-N 2 0 411.521 3.527 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@@H](C)O1 ZINC000044277103 967179757 /nfs/dbraw/zinc/17/97/57/967179757.db2.gz KUGVJYXRWCRFEH-RTBURBONSA-N 2 0 410.562 3.679 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944218 1013714977 /nfs/dbraw/zinc/71/49/77/1013714977.db2.gz BSAFTAIEFDSPOU-NFBKMPQASA-N 2 0 412.578 3.654 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045192286 967376357 /nfs/dbraw/zinc/37/63/57/967376357.db2.gz RIBOESCWPYKGTD-UHFFFAOYSA-N 2 0 406.574 3.700 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000538159412 1013720908 /nfs/dbraw/zinc/72/09/08/1013720908.db2.gz DWLRLXQJVDTJLF-UHFFFAOYSA-N 2 0 423.557 3.790 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065518339 967503637 /nfs/dbraw/zinc/50/36/37/967503637.db2.gz FJWUGMDRYLHNGB-GGAORHGYSA-N 2 0 400.611 3.710 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000045757351 967548372 /nfs/dbraw/zinc/54/83/72/967548372.db2.gz SVIUNWAFKAMKFE-OAQYLSRUSA-N 2 0 400.592 3.623 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000071922645 968889416 /nfs/dbraw/zinc/88/94/16/968889416.db2.gz PFTPAOGNLGFKQI-UHFFFAOYSA-N 2 0 420.601 3.923 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000072046761 968957633 /nfs/dbraw/zinc/95/76/33/968957633.db2.gz SRTGHICHVMGTLM-RUZDIDTESA-N 2 0 421.585 3.688 20 0 HHADRP COc1ccc(CN(C)CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187801 969225030 /nfs/dbraw/zinc/22/50/30/969225030.db2.gz BSGYGKYQRAIOQR-QFIPXVFZSA-N 2 0 415.965 3.734 20 0 HHADRP COc1cccc([C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)c1 ZINC000108965981 969441606 /nfs/dbraw/zinc/44/16/06/969441606.db2.gz BRZVIKUCOFUILQ-DEOSSOPVSA-N 2 0 407.558 3.858 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000109897742 969589083 /nfs/dbraw/zinc/58/90/83/969589083.db2.gz ASRKABAWYUXGIU-DEOSSOPVSA-N 2 0 420.601 3.611 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[NH+](C)C)cc1 ZINC000109899844 969589878 /nfs/dbraw/zinc/58/98/78/969589878.db2.gz NBFANCDVYVBTEM-XMMPIXPASA-N 2 0 408.590 3.558 20 0 HHADRP CC1CC[NH+](CCCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110174588 969632731 /nfs/dbraw/zinc/63/27/31/969632731.db2.gz BJPTYQQRZHHCBN-NRFANRHFSA-N 2 0 411.512 3.679 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640277 /nfs/dbraw/zinc/64/02/77/969640277.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 2 0 422.617 3.594 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000110434126 969667466 /nfs/dbraw/zinc/66/74/66/969667466.db2.gz XJVJQAHNNWYYKM-IYBDPMFKSA-N 2 0 411.949 3.629 20 0 HHADRP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110915627 969740665 /nfs/dbraw/zinc/74/06/65/969740665.db2.gz AROYQIJDUKVKCZ-UHFFFAOYSA-N 2 0 423.601 3.888 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000110990678 969755433 /nfs/dbraw/zinc/75/54/33/969755433.db2.gz ZCVSGCSRUJZSLD-ROUUACIJSA-N 2 0 405.608 3.558 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000195746325 969997888 /nfs/dbraw/zinc/99/78/88/969997888.db2.gz ZNLJOEOLPYGGNE-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000140773919 970086795 /nfs/dbraw/zinc/08/67/95/970086795.db2.gz CBZBDKIROFUVEM-LJQANCHMSA-N 2 0 413.562 3.612 20 0 HHADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000236594259 970144413 /nfs/dbraw/zinc/14/44/13/970144413.db2.gz YASMJONYLUJHHL-BGYRXZFFSA-N 2 0 417.594 3.642 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000236630411 970148952 /nfs/dbraw/zinc/14/89/52/970148952.db2.gz XUDFFQJRQNPRFJ-LJQANCHMSA-N 2 0 404.986 3.976 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000236698807 970157799 /nfs/dbraw/zinc/15/77/99/970157799.db2.gz CEHZUKHNZOEIEL-UHFFFAOYSA-N 2 0 422.392 3.626 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236702186 970158570 /nfs/dbraw/zinc/15/85/70/970158570.db2.gz CKAWAZHDRUREBO-HSZRJFAPSA-N 2 0 418.029 3.563 20 0 HHADRP CCCCOc1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1OCC ZINC000236730586 970164138 /nfs/dbraw/zinc/16/41/38/970164138.db2.gz SQEFEPUHMXBIHK-UHFFFAOYSA-N 2 0 403.611 3.912 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000236851408 970180490 /nfs/dbraw/zinc/18/04/90/970180490.db2.gz APEJOVNMDKNHAD-LJQANCHMSA-N 2 0 422.552 3.708 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236940231 970191077 /nfs/dbraw/zinc/19/10/77/970191077.db2.gz AXKSBLSYWXSVAX-UHFFFAOYSA-N 2 0 418.029 3.709 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236940405 970191090 /nfs/dbraw/zinc/19/10/90/970191090.db2.gz GHUVXXNFOYPCBB-UHFFFAOYSA-N 2 0 404.002 3.650 20 0 HHADRP CCN(CC)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236968279 970197108 /nfs/dbraw/zinc/19/71/08/970197108.db2.gz GOWOTSZXGUXPEP-HSZRJFAPSA-N 2 0 408.590 3.520 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237077294 970218979 /nfs/dbraw/zinc/21/89/79/970218979.db2.gz SHSVPDUNCWAAIP-UHFFFAOYSA-N 2 0 424.520 3.739 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237163352 970233699 /nfs/dbraw/zinc/23/36/99/970233699.db2.gz CAHBBAMUNCVMJD-UHFFFAOYSA-N 2 0 416.997 3.677 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000237167733 970234587 /nfs/dbraw/zinc/23/45/87/970234587.db2.gz HRXFDQOFBFXTHZ-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(-c2cccnc2)n1 ZINC000237179662 970236636 /nfs/dbraw/zinc/23/66/36/970236636.db2.gz QSUKHAINKWRELK-UHFFFAOYSA-N 2 0 401.514 3.997 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237352501 970268239 /nfs/dbraw/zinc/26/82/39/970268239.db2.gz ADVSSPHKCWEDAG-OAQYLSRUSA-N 2 0 405.586 3.999 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000237442021 970289491 /nfs/dbraw/zinc/28/94/91/970289491.db2.gz AIWVJYFTACTDON-UHFFFAOYSA-N 2 0 413.562 3.533 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237608266 970320719 /nfs/dbraw/zinc/32/07/19/970320719.db2.gz NYZFPTUFOOFGNT-UEXGIBASSA-N 2 0 410.986 3.877 20 0 HHADRP Cc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000237738737 970351110 /nfs/dbraw/zinc/35/11/10/970351110.db2.gz DATGLDTVYZNMKE-UHFFFAOYSA-N 2 0 419.573 3.737 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000237855742 970381812 /nfs/dbraw/zinc/38/18/12/970381812.db2.gz TYQUPMYPCYAEFC-UHFFFAOYSA-N 2 0 407.562 3.979 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1)c1ccccc1Cl ZINC000237977718 970409133 /nfs/dbraw/zinc/40/91/33/970409133.db2.gz SSFDLEBUMNSVEH-HXUWFJFHSA-N 2 0 415.965 3.919 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303939 972780802 /nfs/dbraw/zinc/78/08/02/972780802.db2.gz BHEAXQRKRQPIAP-LDQXTDLNSA-N 2 0 403.364 3.983 20 0 HHADRP CC(C)(C)OC(=O)N(CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000397593132 972871823 /nfs/dbraw/zinc/87/18/23/972871823.db2.gz KNWDKFYGNVSFAR-UHFFFAOYSA-N 2 0 419.610 3.639 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410044993 973526380 /nfs/dbraw/zinc/52/63/80/973526380.db2.gz XDVGOWVBKOYFJU-OAQYLSRUSA-N 2 0 421.589 3.773 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312420 973855986 /nfs/dbraw/zinc/85/59/86/973855986.db2.gz RISSVRDVWZFSPW-VWLOTQADSA-N 2 0 420.601 3.830 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000410321494 973869132 /nfs/dbraw/zinc/86/91/32/973869132.db2.gz BPXVUQLGBZGAHO-UHFFFAOYSA-N 2 0 420.601 3.707 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000410330615 973903941 /nfs/dbraw/zinc/90/39/41/973903941.db2.gz YKNPQODFUMEYPB-UHFFFAOYSA-N 2 0 420.601 3.877 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CCC(F)(F)F ZINC000426002404 974117470 /nfs/dbraw/zinc/11/74/70/974117470.db2.gz FQVXJQVJOQHZNQ-SFHVURJKSA-N 2 0 406.537 3.558 20 0 HHADRP CC[N@H+](CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000426004047 974118937 /nfs/dbraw/zinc/11/89/37/974118937.db2.gz UHQNDQPLYKLDHJ-UHFFFAOYSA-N 2 0 414.516 3.567 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000426133365 974255213 /nfs/dbraw/zinc/25/52/13/974255213.db2.gz JKAPCUPRLAGEDX-UHFFFAOYSA-N 2 0 402.583 3.795 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000426137774 974258796 /nfs/dbraw/zinc/25/87/96/974258796.db2.gz GCQSWTUOTIAXJK-NRFANRHFSA-N 2 0 400.567 3.643 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1O ZINC000426161078 974274387 /nfs/dbraw/zinc/27/43/87/974274387.db2.gz LQCJDOHLVNWKFH-QZTJIDSGSA-N 2 0 415.553 3.964 20 0 HHADRP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000426302177 974382404 /nfs/dbraw/zinc/38/24/04/974382404.db2.gz HFXKQTOSFNQQCB-QPTUXGOLSA-N 2 0 401.554 3.929 20 0 HHADRP C[NH+](C)CC1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000426704836 974606873 /nfs/dbraw/zinc/60/68/73/974606873.db2.gz SUOYLYGLDUXRSP-UHFFFAOYSA-N 2 0 415.622 3.686 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000426814344 974680128 /nfs/dbraw/zinc/68/01/28/974680128.db2.gz FKQCHYMVNPCEJH-HDICACEKSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426820672 974686048 /nfs/dbraw/zinc/68/60/48/974686048.db2.gz MKROIMGIWPRQAY-OTWHNJEPSA-N 2 0 422.013 3.556 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000426837774 974701838 /nfs/dbraw/zinc/70/18/38/974701838.db2.gz YVSRUJFGUWPWDA-CEXWTWQISA-N 2 0 422.013 3.729 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)C[C@@H](C)O1 ZINC000427342595 975065332 /nfs/dbraw/zinc/06/53/32/975065332.db2.gz QAIBSQUCSOGBIH-WOJBJXKFSA-N 2 0 422.573 3.599 20 0 HHADRP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000427710064 975247301 /nfs/dbraw/zinc/24/73/01/975247301.db2.gz NCKTVZBXVODSOB-FQEVSTJZSA-N 2 0 419.495 3.675 20 0 HHADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940580 975359614 /nfs/dbraw/zinc/35/96/14/975359614.db2.gz DNJGSNLNLKIZAT-JOCHJYFZSA-N 2 0 409.578 3.697 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085162 976370668 /nfs/dbraw/zinc/37/06/68/976370668.db2.gz YPKXCZDNYXVALO-NHCUHLMSSA-N 2 0 423.605 3.817 20 0 HHADRP Oc1cccc2c1C[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H]1Cc3cccc(O)c3C1)C2 ZINC000429314834 976584753 /nfs/dbraw/zinc/58/47/53/976584753.db2.gz GAEWKDHRZOMMLK-FGZHOGPDSA-N 2 0 400.522 3.612 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608617 /nfs/dbraw/zinc/60/86/17/976608617.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 2 0 423.601 3.939 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712358 /nfs/dbraw/zinc/71/23/58/976712358.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 2 0 419.613 3.778 20 0 HHADRP c1ccc(C[N@@H+]2C[C@@H]3[C@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712494 /nfs/dbraw/zinc/71/24/94/976712494.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 2 0 419.613 3.778 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490291 976747913 /nfs/dbraw/zinc/74/79/13/976747913.db2.gz LOTFBKHMAZGSLN-OFNKIYASSA-N 2 0 412.622 3.587 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000429500791 976756205 /nfs/dbraw/zinc/75/62/05/976756205.db2.gz GOQDTHNKSADEDN-SFTDATJTSA-N 2 0 409.578 3.772 20 0 HHADRP CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000430872512 977837632 /nfs/dbraw/zinc/83/76/32/977837632.db2.gz JPKSDRFVKUJDPG-QFIPXVFZSA-N 2 0 420.601 3.702 20 0 HHADRP Cc1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431144771 978047979 /nfs/dbraw/zinc/04/79/79/978047979.db2.gz UPLHOKXUBOVYGY-IBGZPJMESA-N 2 0 424.593 3.805 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000431285375 978171720 /nfs/dbraw/zinc/17/17/20/978171720.db2.gz YVPRJPKAVUDZDI-HSZRJFAPSA-N 2 0 412.622 3.662 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cn2)CC1 ZINC000431330382 978216149 /nfs/dbraw/zinc/21/61/49/978216149.db2.gz VXVUNGYNACVBFY-QHCPKHFHSA-N 2 0 406.574 3.716 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000431351687 978229793 /nfs/dbraw/zinc/22/97/93/978229793.db2.gz RHLJQLIWBLHHCL-NRFANRHFSA-N 2 0 415.965 3.943 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000431626872 978394803 /nfs/dbraw/zinc/39/48/03/978394803.db2.gz CJADEDOYKNMRSF-UHFFFAOYSA-N 2 0 406.590 3.657 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677696 978430587 /nfs/dbraw/zinc/43/05/87/978430587.db2.gz FGCGIHFWFKHZTK-IRLDBZIGSA-N 2 0 424.589 3.939 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688902 978436746 /nfs/dbraw/zinc/43/67/46/978436746.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 2 0 406.574 3.613 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704396 978447628 /nfs/dbraw/zinc/44/76/28/978447628.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 2 0 420.601 3.957 20 0 HHADRP C[NH+](C)[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000431751587 978483770 /nfs/dbraw/zinc/48/37/70/978483770.db2.gz DXEFIEDZBOIAGO-XMMPIXPASA-N 2 0 406.574 3.850 20 0 HHADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786610 978512836 /nfs/dbraw/zinc/51/28/36/978512836.db2.gz SZVNIOMHAMQKNE-FDDCHVKYSA-N 2 0 416.585 3.552 20 0 HHADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@@H+]4CCCO[C@@H](C)C4)cc3)nc12 ZINC000432345801 978769597 /nfs/dbraw/zinc/76/95/97/978769597.db2.gz GVXMOCLIOBWHET-NRFANRHFSA-N 2 0 422.573 3.812 20 0 HHADRP COc1cc(C[NH+]2CCC3(C2)CCOCC3)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000432811917 978982173 /nfs/dbraw/zinc/98/21/73/978982173.db2.gz GJFFTEGNTIAVOV-UHFFFAOYSA-N 2 0 414.590 3.700 20 0 HHADRP COC(=O)c1cc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821233 978985016 /nfs/dbraw/zinc/98/50/16/978985016.db2.gz WLHDZRQPIPRPCU-KRWDZBQOSA-N 2 0 405.583 3.564 20 0 HHADRP CC(C)[NH+](Cc1cc(Br)ccc1C[N@@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000432963143 979026311 /nfs/dbraw/zinc/02/63/11/979026311.db2.gz ZKBUREPQJRYOAR-DLBZAZTESA-N 2 0 415.416 3.632 20 0 HHADRP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051629 979052729 /nfs/dbraw/zinc/05/27/29/979052729.db2.gz IBAIOLVQCGBSTE-OAQYLSRUSA-N 2 0 421.585 3.688 20 0 HHADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000433063478 979055954 /nfs/dbraw/zinc/05/59/54/979055954.db2.gz YBTYNGCDOAYQKC-UHFFFAOYSA-N 2 0 415.603 3.603 20 0 HHADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112155 979078162 /nfs/dbraw/zinc/07/81/62/979078162.db2.gz HJQRALXXTWLINL-LJQANCHMSA-N 2 0 421.541 3.730 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433127752 979088401 /nfs/dbraw/zinc/08/84/01/979088401.db2.gz UEPYXPZKRVTLTB-UHFFFAOYSA-N 2 0 410.537 3.725 20 0 HHADRP C[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433193794 979132737 /nfs/dbraw/zinc/13/27/37/979132737.db2.gz SHWNRDNOPHLMCN-HXUWFJFHSA-N 2 0 409.549 3.991 20 0 HHADRP COc1cc(C[NH+]2CCCCC[C@@H]2CCO)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000433205266 979139919 /nfs/dbraw/zinc/13/99/19/979139919.db2.gz KGFNLOCLHFBZKW-DNQXCXABSA-N 2 0 418.622 3.949 20 0 HHADRP COc1cc(C[NH+]2CCCCC[C@H]2CCO)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000433205269 979140063 /nfs/dbraw/zinc/14/00/63/979140063.db2.gz KGFNLOCLHFBZKW-ZEQRLZLVSA-N 2 0 418.622 3.949 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000433209519 979144456 /nfs/dbraw/zinc/14/44/56/979144456.db2.gz REWDZYYPYPKXIQ-UCDDGIFISA-N 2 0 414.590 3.982 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433388561 979270146 /nfs/dbraw/zinc/27/01/46/979270146.db2.gz VBLNAEHLOONAAZ-DENIHFKCSA-N 2 0 421.601 3.698 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(N(C)c4ccccc4)nc3)cn2)CC1 ZINC000435784706 981030164 /nfs/dbraw/zinc/03/01/64/981030164.db2.gz HNFLKLFOAFRWPD-UHFFFAOYSA-N 2 0 416.573 3.676 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448206416 981618787 /nfs/dbraw/zinc/61/87/87/981618787.db2.gz UZAMBXSHPHUXIZ-ZILOHOTNSA-N 2 0 410.606 3.870 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448212811 981627125 /nfs/dbraw/zinc/62/71/25/981627125.db2.gz LYIHINVPFUMVQI-VDEHWKIFSA-N 2 0 410.606 3.698 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448213677 981627906 /nfs/dbraw/zinc/62/79/06/981627906.db2.gz NGRWJUMYLRBBQX-ISKFKSNPSA-N 2 0 410.606 3.831 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H](C)C1 ZINC000448460849 981794486 /nfs/dbraw/zinc/79/44/86/981794486.db2.gz GLOLSTOIAWORNK-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@H](C)C1 ZINC000448461317 981794879 /nfs/dbraw/zinc/79/48/79/981794879.db2.gz KJRGVICNCPNJFD-NFBKMPQASA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000448461688 981795365 /nfs/dbraw/zinc/79/53/65/981795365.db2.gz NGBYUQGICAQBLX-UWJYYQICSA-N 2 0 407.002 3.676 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448461669 981795650 /nfs/dbraw/zinc/79/56/50/981795650.db2.gz NCHDRFHOITUJEY-AJSBUHFISA-N 2 0 416.610 3.594 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466114 981800275 /nfs/dbraw/zinc/80/02/75/981800275.db2.gz MIGILULBEDXFGB-YSIASYRMSA-N 2 0 402.608 3.543 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466222 981801669 /nfs/dbraw/zinc/80/16/69/981801669.db2.gz LRIOBSGGHHHGJM-QTJGBDASSA-N 2 0 410.606 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000448521130 981849160 /nfs/dbraw/zinc/84/91/60/981849160.db2.gz NDXLWKGTFKTNFZ-IDNQLYMWSA-N 2 0 400.611 3.515 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000448523545 981851740 /nfs/dbraw/zinc/85/17/40/981851740.db2.gz YYQAJGSROMINFS-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460338293 982110352 /nfs/dbraw/zinc/11/03/52/982110352.db2.gz IXAUJBJJNBASIU-JTHBVZDNSA-N 2 0 424.564 3.551 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437548215 982178093 /nfs/dbraw/zinc/17/80/93/982178093.db2.gz KQTTXQBPHXUMJQ-CVDCTZTESA-N 2 0 413.610 3.703 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729015 982322391 /nfs/dbraw/zinc/32/23/91/982322391.db2.gz GAPIBSAZHGOMHV-WOJBJXKFSA-N 2 0 402.583 3.745 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460553198 982338953 /nfs/dbraw/zinc/33/89/53/982338953.db2.gz WYGSCUIESVVBLI-FYYLOGMGSA-N 2 0 424.564 3.551 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460658015 982428153 /nfs/dbraw/zinc/42/81/53/982428153.db2.gz RTWZTFNVCQIHMV-BIHRQFPBSA-N 2 0 424.633 3.803 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3CC[NH+](C)C)c(C)c2)CC1 ZINC000437918334 982462655 /nfs/dbraw/zinc/46/26/55/982462655.db2.gz RDIJYDQDBPSWOO-UHFFFAOYSA-N 2 0 409.578 3.885 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438083894 982578513 /nfs/dbraw/zinc/57/85/13/982578513.db2.gz WWWYYIHCLYCBRF-QFIPXVFZSA-N 2 0 416.635 3.664 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1C ZINC000438138716 982608705 /nfs/dbraw/zinc/60/87/05/982608705.db2.gz WBMAZRYDGSAXLL-INIZCTEOSA-N 2 0 411.388 3.637 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1C ZINC000438138717 982608889 /nfs/dbraw/zinc/60/88/89/982608889.db2.gz WBMAZRYDGSAXLL-MRXNPFEDSA-N 2 0 411.388 3.637 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438155827 982619802 /nfs/dbraw/zinc/61/98/02/982619802.db2.gz RPPMGCCWCBAQSX-ISKFKSNPSA-N 2 0 412.622 3.947 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438155830 982619940 /nfs/dbraw/zinc/61/99/40/982619940.db2.gz RPPMGCCWCBAQSX-VWNXMTODSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccc(N2CCC([NH2+]C3CCC(N4C(=O)c5ccccc5C4=O)CC3)CC2)nc1 ZINC000438184688 982638162 /nfs/dbraw/zinc/63/81/62/982638162.db2.gz BFXKHYYHKYYCCY-UHFFFAOYSA-N 2 0 418.541 3.556 20 0 HHADRP Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000438295739 982706725 /nfs/dbraw/zinc/70/67/25/982706725.db2.gz VTQXPRIUZODSML-QFIPXVFZSA-N 2 0 424.589 3.921 20 0 HHADRP CCSCc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000438383975 982757301 /nfs/dbraw/zinc/75/73/01/982757301.db2.gz SXTVGECFSUXOQM-UHFFFAOYSA-N 2 0 413.591 3.669 20 0 HHADRP C[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495799 982838847 /nfs/dbraw/zinc/83/88/47/982838847.db2.gz WPKUQIXLZHIIKB-DEOSSOPVSA-N 2 0 409.599 3.838 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438554897 982895103 /nfs/dbraw/zinc/89/51/03/982895103.db2.gz VASYBAMOLLUTRV-SFHVURJKSA-N 2 0 400.489 3.671 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260176 982965810 /nfs/dbraw/zinc/96/58/10/982965810.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 2 0 411.512 3.774 20 0 HHADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429654 983092370 /nfs/dbraw/zinc/09/23/70/983092370.db2.gz NWYYNJZKJBZLQK-RPBOFIJWSA-N 2 0 403.570 3.877 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438702 983102694 /nfs/dbraw/zinc/10/26/94/983102694.db2.gz MNUBCCSOERYBBS-RPBOFIJWSA-N 2 0 403.570 3.877 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000438871865 983134204 /nfs/dbraw/zinc/13/42/04/983134204.db2.gz ZSDOBTSXMOYUQO-FQEVSTJZSA-N 2 0 401.599 3.562 20 0 HHADRP CSC1(CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC[NH+](C)CC1 ZINC000461510624 983157887 /nfs/dbraw/zinc/15/78/87/983157887.db2.gz FWJSVIHVFJHSIA-OAQYLSRUSA-N 2 0 420.667 3.614 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000439024734 983216919 /nfs/dbraw/zinc/21/69/19/983216919.db2.gz VGNGBRVLXZOIBQ-IBGZPJMESA-N 2 0 403.567 3.690 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076107 983238693 /nfs/dbraw/zinc/23/86/93/983238693.db2.gz HABMZMZRPQFFDK-QFIPXVFZSA-N 2 0 415.626 3.769 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194282 983302431 /nfs/dbraw/zinc/30/24/31/983302431.db2.gz VYIVLSIJADEUAK-JXALWOEJSA-N 2 0 421.589 3.569 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000439204557 983309967 /nfs/dbraw/zinc/30/99/67/983309967.db2.gz YOADILMAOSIROY-LRZVDXDASA-N 2 0 413.610 3.513 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000439599216 983466416 /nfs/dbraw/zinc/46/64/16/983466416.db2.gz SMCHRRQZLFCHES-QFIPXVFZSA-N 2 0 407.489 3.946 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000440175961 983670280 /nfs/dbraw/zinc/67/02/80/983670280.db2.gz NTVRQXGHPOFGFL-AUSIDOKSSA-N 2 0 415.626 3.807 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194383 983678328 /nfs/dbraw/zinc/67/83/28/983678328.db2.gz YMFPHFIEHLBMOJ-NTKDMRAZSA-N 2 0 423.605 3.772 20 0 HHADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440278907 983705010 /nfs/dbraw/zinc/70/50/10/983705010.db2.gz FPYMRBQUNGUJAH-DEOSSOPVSA-N 2 0 413.606 3.581 20 0 HHADRP CC(C)OC(=O)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000441156513 984094440 /nfs/dbraw/zinc/09/44/40/984094440.db2.gz QQIWJUPJDJVTAG-UHFFFAOYSA-N 2 0 415.622 3.880 20 0 HHADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243498 984134393 /nfs/dbraw/zinc/13/43/93/984134393.db2.gz JDMHNVMGTAFCMG-YCRPNKLZSA-N 2 0 409.496 3.831 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1(C)C ZINC000441341511 984196545 /nfs/dbraw/zinc/19/65/45/984196545.db2.gz OBSMPSQBVOEJAY-UHFFFAOYSA-N 2 0 423.424 3.688 20 0 HHADRP CCOc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1OCc1ccccc1 ZINC000441353665 984203163 /nfs/dbraw/zinc/20/31/63/984203163.db2.gz HBFSEZYLIAIOQZ-UHFFFAOYSA-N 2 0 411.590 3.780 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000442240899 984761999 /nfs/dbraw/zinc/76/19/99/984761999.db2.gz JAVDEKPFVKZHFZ-MALGCSLJSA-N 2 0 400.611 3.801 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](CCCOC)c3ccc(F)cc3)cn2)CC1 ZINC000442714753 985181253 /nfs/dbraw/zinc/18/12/53/985181253.db2.gz KTLNXNDAUPCQIK-JOCHJYFZSA-N 2 0 400.542 3.620 20 0 HHADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462510644 985461763 /nfs/dbraw/zinc/46/17/63/985461763.db2.gz LQKBZABQCQYTLN-FPOVZHCZSA-N 2 0 418.651 3.681 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462741459 985682944 /nfs/dbraw/zinc/68/29/44/985682944.db2.gz ULLCVDURJRTWAR-JOCHJYFZSA-N 2 0 412.578 3.655 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462747900 985688962 /nfs/dbraw/zinc/68/89/62/985688962.db2.gz YCBQKMQPMYJADQ-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)(N2CCCCC2)CC1 ZINC000462795237 985729129 /nfs/dbraw/zinc/72/91/29/985729129.db2.gz PXKYJISKWHNBBX-UHFFFAOYSA-N 2 0 401.595 3.682 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800510 985732747 /nfs/dbraw/zinc/73/27/47/985732747.db2.gz FTZNBUFUXOGPKO-RPWUZVMVSA-N 2 0 403.586 3.832 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803056 985734973 /nfs/dbraw/zinc/73/49/73/985734973.db2.gz PRRDGGWWWISUIZ-QPPBQGQZSA-N 3 0 404.618 3.604 20 0 HHADRP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000443597079 985773136 /nfs/dbraw/zinc/77/31/36/985773136.db2.gz YYLYNJXNBRCRAF-IBGZPJMESA-N 2 0 419.585 3.769 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000443636946 985819999 /nfs/dbraw/zinc/81/99/99/985819999.db2.gz HFQDYIPDCXTMNB-AWWSKVOZSA-N 2 0 400.611 3.646 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)c2)C1 ZINC000468429569 986127997 /nfs/dbraw/zinc/12/79/97/986127997.db2.gz QCKOMILIRVIWLB-SDHSZQHLSA-N 2 0 405.586 3.885 20 0 HHADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463244825 986212812 /nfs/dbraw/zinc/21/28/12/986212812.db2.gz YZRHPLGTLMCMEI-DNRSQYFGSA-N 2 0 407.602 3.920 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000463257182 986224862 /nfs/dbraw/zinc/22/48/62/986224862.db2.gz OXDWZPIKPPGEMD-SFHVURJKSA-N 2 0 416.972 3.847 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000444553831 986744682 /nfs/dbraw/zinc/74/46/82/986744682.db2.gz VXDNMGMZJIDUEV-DEOSSOPVSA-N 2 0 409.574 3.913 20 0 HHADRP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604136 986791518 /nfs/dbraw/zinc/79/15/18/986791518.db2.gz ZWZROUKWMIXLAX-UIOOFZCWSA-N 2 0 417.597 3.948 20 0 HHADRP Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2cc(C(F)(F)F)ccc21 ZINC000463810592 986802458 /nfs/dbraw/zinc/80/24/58/986802458.db2.gz ZZCXHPCJHHJBJY-UHFFFAOYSA-N 2 0 412.500 3.543 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444989385 987117697 /nfs/dbraw/zinc/11/76/97/987117697.db2.gz RWEYNONMJHNFLP-ISKFKSNPSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566064 987235417 /nfs/dbraw/zinc/23/54/17/987235417.db2.gz YVCDWSVQGQXBGU-HSZRJFAPSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000469756716 987409878 /nfs/dbraw/zinc/40/98/78/987409878.db2.gz IJYMTCSUVGDFMC-GGPKGHCWSA-N 2 0 402.966 3.826 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000469788833 987433840 /nfs/dbraw/zinc/43/38/40/987433840.db2.gz CEQKYUZXWDFLTE-PXNSSMCTSA-N 2 0 410.986 3.770 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470052616 987943607 /nfs/dbraw/zinc/94/36/07/987943607.db2.gz CCQFJVYBZXWFQO-IBGZPJMESA-N 2 0 414.516 3.872 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000470095747 987996893 /nfs/dbraw/zinc/99/68/93/987996893.db2.gz BUMVCDBKNZDBJO-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229110 988162363 /nfs/dbraw/zinc/16/23/63/988162363.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 2 0 423.523 3.631 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1C ZINC000470278858 988233430 /nfs/dbraw/zinc/23/34/30/988233430.db2.gz HYSVVSMJJKJZDT-SNRMKQJTSA-N 2 0 414.516 3.822 20 0 HHADRP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438724 988410385 /nfs/dbraw/zinc/41/03/85/988410385.db2.gz QDUNKIFWJZALSO-KSZLIROESA-N 2 0 406.537 3.552 20 0 HHADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675104 988699706 /nfs/dbraw/zinc/69/97/06/988699706.db2.gz PJKYGKIQRGXXRS-XMMPIXPASA-N 2 0 400.526 3.984 20 0 HHADRP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729919 988760379 /nfs/dbraw/zinc/76/03/79/988760379.db2.gz MOPQXDJQIWHZPT-SQJMNOBHSA-N 2 0 420.601 3.739 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739029 988776023 /nfs/dbraw/zinc/77/60/23/988776023.db2.gz XVVCOLICCJSKON-PKTZIBPZSA-N 2 0 412.553 3.734 20 0 HHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000464769925 988993922 /nfs/dbraw/zinc/99/39/22/988993922.db2.gz BFMRBAMKOUIXLZ-CQSZACIVSA-N 2 0 400.336 3.581 20 0 HHADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772582 988996794 /nfs/dbraw/zinc/99/67/94/988996794.db2.gz HUGTZBWGKGENMU-WOJBJXKFSA-N 2 0 407.649 3.780 20 0 HHADRP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844409 989093265 /nfs/dbraw/zinc/09/32/65/989093265.db2.gz AQYFURQARWGINM-OAQYLSRUSA-N 2 0 405.542 3.517 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953962 989250288 /nfs/dbraw/zinc/25/02/88/989250288.db2.gz QMILYXIWNXVWBC-OFNKIYASSA-N 2 0 400.611 3.696 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000465076693 989396497 /nfs/dbraw/zinc/39/64/97/989396497.db2.gz FDYMLEIDPASGIC-GOTSBHOMSA-N 2 0 400.611 3.518 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1)C1CC1 ZINC000471380679 989558889 /nfs/dbraw/zinc/55/88/89/989558889.db2.gz RCRFBLWXZBCERX-PSWAGMNNSA-N 2 0 403.570 3.875 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394656 989572380 /nfs/dbraw/zinc/57/23/80/989572380.db2.gz QRBATDBTKHJWMA-BGYRXZFFSA-N 2 0 403.526 3.698 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511844 989710629 /nfs/dbraw/zinc/71/06/29/989710629.db2.gz UPSKMTFBJPEMNP-BDTNDASRSA-N 2 0 424.614 3.658 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471535473 989734901 /nfs/dbraw/zinc/73/49/01/989734901.db2.gz FKSFWTSXKPSTCO-JOCHJYFZSA-N 2 0 408.590 3.850 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000465413994 989760117 /nfs/dbraw/zinc/76/01/17/989760117.db2.gz UDEJXJZUUQVDAT-RTWAWAEBSA-N 2 0 414.619 3.904 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000465420507 989766186 /nfs/dbraw/zinc/76/61/86/989766186.db2.gz IOXSIXFIPMCKOE-HXUWFJFHSA-N 2 0 406.640 3.942 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471590923 989794024 /nfs/dbraw/zinc/79/40/24/989794024.db2.gz OSWWDDZKEAEEQD-DEOSSOPVSA-N 2 0 406.574 3.604 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471616076 989820576 /nfs/dbraw/zinc/82/05/76/989820576.db2.gz BJEDAHHZPVXTNA-XJUOHMSHSA-N 2 0 400.611 3.566 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465513650 989864181 /nfs/dbraw/zinc/86/41/81/989864181.db2.gz HGLGKSKSZTWGLA-RUZDIDTESA-N 2 0 420.601 3.946 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccsc1 ZINC000465533149 989894302 /nfs/dbraw/zinc/89/43/02/989894302.db2.gz JFWPFHVLYBFUBG-WDYCEAGBSA-N 2 0 406.621 3.795 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465534355 989896595 /nfs/dbraw/zinc/89/65/95/989896595.db2.gz PZWZLRNASAZTAL-XJUOHMSHSA-N 2 0 400.611 3.518 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465535292 989897836 /nfs/dbraw/zinc/89/78/36/989897836.db2.gz AKSOEXCWGRUFFJ-YOUFYPILSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552983 989916190 /nfs/dbraw/zinc/91/61/90/989916190.db2.gz ZVPPJTMBLYPORT-RPWUZVMVSA-N 2 0 414.638 3.906 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593563 989971799 /nfs/dbraw/zinc/97/17/99/989971799.db2.gz GKWUPKNBIUOTSI-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805568 989988632 /nfs/dbraw/zinc/98/86/32/989988632.db2.gz SUCOQTKFCYDMKO-FCHUYYIVSA-N 2 0 410.562 3.546 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695382 990081661 /nfs/dbraw/zinc/08/16/61/990081661.db2.gz SCDACMSVAAFIER-IRLDBZIGSA-N 2 0 416.610 3.596 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465724704 990110145 /nfs/dbraw/zinc/11/01/45/990110145.db2.gz NQINVCPYROKMRF-URVUXULASA-N 2 0 414.619 3.603 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132953 /nfs/dbraw/zinc/13/29/53/990132953.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 2 0 400.592 3.562 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000465753815 990139876 /nfs/dbraw/zinc/13/98/76/990139876.db2.gz MBIGNFMGROPLCG-QNWVGRARSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757291 990143452 /nfs/dbraw/zinc/14/34/52/990143452.db2.gz OLBHPYFYDNSDLM-UNMCSNQZSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001181 990169335 /nfs/dbraw/zinc/16/93/35/990169335.db2.gz GIXPNVVXDDWLLA-ZODMCCGTSA-N 2 0 420.601 3.718 20 0 HHADRP Cc1cccc([C@@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000465815442 990198208 /nfs/dbraw/zinc/19/82/08/990198208.db2.gz QNGUCZXQMXAWAW-DEOSSOPVSA-N 2 0 421.589 3.757 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876942 990992585 /nfs/dbraw/zinc/99/25/85/990992585.db2.gz MKYLQSAOZDBVGB-CBQOVEMMSA-N 2 0 414.619 3.951 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000465888362 991012584 /nfs/dbraw/zinc/01/25/84/991012584.db2.gz CXBPDLFRDUZDJR-FCHUYYIVSA-N 2 0 404.574 3.724 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000465938870 991075848 /nfs/dbraw/zinc/07/58/48/991075848.db2.gz MMRNJPJAQXPVHX-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466092816 991271800 /nfs/dbraw/zinc/27/18/00/991271800.db2.gz BDXMGADONLTMPP-PZJWPPBQSA-N 2 0 404.624 3.648 20 0 HHADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466102221 991280938 /nfs/dbraw/zinc/28/09/38/991280938.db2.gz RQSIRSXDVSXHJN-UHFFFAOYSA-N 2 0 414.516 3.653 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466101828 991280978 /nfs/dbraw/zinc/28/09/78/991280978.db2.gz QKOQKGNCIMHUIM-OFNKIYASSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466248280 991483978 /nfs/dbraw/zinc/48/39/78/991483978.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 2 0 420.601 3.513 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000466290300 991540103 /nfs/dbraw/zinc/54/01/03/991540103.db2.gz XLMRODFYRRWIMY-DEOSSOPVSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000466575964 991891638 /nfs/dbraw/zinc/89/16/38/991891638.db2.gz KXLWOSIKNHGYBC-UHFFFAOYSA-N 2 0 424.589 3.977 20 0 HHADRP FC(F)(F)Oc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466917885 992231546 /nfs/dbraw/zinc/23/15/46/992231546.db2.gz GVJNVXJTMUNHHW-UHFFFAOYSA-N 2 0 402.457 3.541 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000467007918 992315993 /nfs/dbraw/zinc/31/59/93/992315993.db2.gz VDZYJWGYGIKDBR-NRFANRHFSA-N 2 0 414.619 3.564 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000467096292 992401774 /nfs/dbraw/zinc/40/17/74/992401774.db2.gz POAKAAIUTZBKAO-DEOSSOPVSA-N 2 0 408.590 3.735 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467879878 993110039 /nfs/dbraw/zinc/11/00/39/993110039.db2.gz QHZJYCYGMDKSJI-QGZVFWFLSA-N 2 0 407.484 3.748 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000472097435 993148199 /nfs/dbraw/zinc/14/81/99/993148199.db2.gz OCZYNKDXAACVEM-JOCHJYFZSA-N 2 0 416.610 3.740 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000472126360 993178617 /nfs/dbraw/zinc/17/86/17/993178617.db2.gz OOKBWFCQFJTHCB-GOSISDBHSA-N 2 0 414.981 3.708 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000472145519 993200380 /nfs/dbraw/zinc/20/03/80/993200380.db2.gz IOZYEGJQVBDUDT-IBGZPJMESA-N 2 0 413.562 3.612 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000472158886 993209922 /nfs/dbraw/zinc/20/99/22/993209922.db2.gz QDYZXUUFZZZQGZ-SFHVURJKSA-N 2 0 414.981 3.708 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326152 993336008 /nfs/dbraw/zinc/33/60/08/993336008.db2.gz YRZWAXAPRDDGQD-NHTMILBNSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000480738121 993604709 /nfs/dbraw/zinc/60/47/09/993604709.db2.gz JWOPOOOVHAFELL-CQSZACIVSA-N 2 0 410.896 3.939 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)nnn1-c1ccccc1 ZINC000480792402 993661278 /nfs/dbraw/zinc/66/12/78/993661278.db2.gz BHRQBDPJGLQTOX-RDPSFJRHSA-N 2 0 418.589 3.605 20 0 HHADRP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000480905564 993761540 /nfs/dbraw/zinc/76/15/40/993761540.db2.gz APMXMIOCKFOEHS-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000480970146 993811129 /nfs/dbraw/zinc/81/11/29/993811129.db2.gz XMWNTDBKIRDTCI-FDDCHVKYSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209756 994042658 /nfs/dbraw/zinc/04/26/58/994042658.db2.gz PGLWTNSVYRICDX-NIJXNBFTSA-N 2 0 411.565 3.699 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481535557 994366070 /nfs/dbraw/zinc/36/60/70/994366070.db2.gz QGIYVQBRNGCEGK-SFTDATJTSA-N 2 0 411.590 3.699 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559367 994393029 /nfs/dbraw/zinc/39/30/29/994393029.db2.gz FQEZTGXWFXHUOX-WZONZLPQSA-N 2 0 411.546 3.595 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560173 994394035 /nfs/dbraw/zinc/39/40/35/994394035.db2.gz HHSGLMVDFDGDLO-OFNKIYASSA-N 2 0 422.569 3.964 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000481584489 994426922 /nfs/dbraw/zinc/42/69/22/994426922.db2.gz TVODICDFGYITSG-GMAHTHKFSA-N 2 0 418.622 3.778 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000481715588 994576893 /nfs/dbraw/zinc/57/68/93/994576893.db2.gz IWDIAWXLTFRUHX-IBGZPJMESA-N 2 0 405.546 3.839 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000473822472 994751176 /nfs/dbraw/zinc/75/11/76/994751176.db2.gz OMASPYKQKZKJSF-INIZCTEOSA-N 2 0 400.489 3.894 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835363 994768562 /nfs/dbraw/zinc/76/85/62/994768562.db2.gz KMBZMZXDVNAMKI-OFNKIYASSA-N 2 0 421.589 3.786 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473962915 994944186 /nfs/dbraw/zinc/94/41/86/994944186.db2.gz HDCVTAPICLNPAA-GIWBLDEGSA-N 2 0 400.611 3.974 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071963 995058584 /nfs/dbraw/zinc/05/85/84/995058584.db2.gz HNUHIAPUOJZSOV-YKSBVNFPSA-N 2 0 421.585 3.905 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000482116681 995063348 /nfs/dbraw/zinc/06/33/48/995063348.db2.gz XBIJCKAFRODNFP-IBGZPJMESA-N 2 0 422.552 3.578 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482122917 995072053 /nfs/dbraw/zinc/07/20/53/995072053.db2.gz QWLQUENNCUPGHQ-GOSISDBHSA-N 2 0 422.495 3.886 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000482124483 995072652 /nfs/dbraw/zinc/07/26/52/995072652.db2.gz YRNKSDRPOSJHSW-CVDCTZTESA-N 2 0 410.562 3.561 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000474223487 995217822 /nfs/dbraw/zinc/21/78/22/995217822.db2.gz QTVUBIIFESHCBZ-UHFFFAOYSA-N 2 0 411.512 3.874 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1OC(F)(F)F ZINC000482235392 995218789 /nfs/dbraw/zinc/21/87/89/995218789.db2.gz DEOBDLZJJSCHHT-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000482256282 995234498 /nfs/dbraw/zinc/23/44/98/995234498.db2.gz MHQMWECAKFYFTG-OAHLLOKOSA-N 2 0 402.608 3.891 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339621 995318503 /nfs/dbraw/zinc/31/85/03/995318503.db2.gz VXJKMQRZHAHUAV-VQTJNVASSA-N 2 0 407.624 3.632 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339620 995318725 /nfs/dbraw/zinc/31/87/25/995318725.db2.gz VXJKMQRZHAHUAV-UXHICEINSA-N 2 0 407.624 3.632 20 0 HHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482445976 995444108 /nfs/dbraw/zinc/44/41/08/995444108.db2.gz KBLKUSRISUSKAN-LJQANCHMSA-N 2 0 420.388 3.963 20 0 HHADRP c1ccc(C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000482449654 995448966 /nfs/dbraw/zinc/44/89/66/995448966.db2.gz HQKKWPSRTANAMN-RUZDIDTESA-N 2 0 415.585 3.952 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000474505785 995465433 /nfs/dbraw/zinc/46/54/33/995465433.db2.gz LADZWZXIEHOSNC-IXTNQLDESA-N 2 0 400.611 3.657 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000474511677 995472529 /nfs/dbraw/zinc/47/25/29/995472529.db2.gz IKQVCYIRDYRIJT-RMNGQBEXSA-N 2 0 412.622 3.660 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000482508943 995519299 /nfs/dbraw/zinc/51/92/99/995519299.db2.gz KHZWPAJWKPQMJH-RBUKOAKNSA-N 2 0 400.636 3.967 20 0 HHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482520904 995529984 /nfs/dbraw/zinc/52/99/84/995529984.db2.gz VTARPMATUFVGEE-IBGZPJMESA-N 2 0 407.624 3.634 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540433 995548445 /nfs/dbraw/zinc/54/84/45/995548445.db2.gz DGZDKLOEBHLDES-ZBFHGGJFSA-N 2 0 403.514 3.579 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541932 995550198 /nfs/dbraw/zinc/55/01/98/995550198.db2.gz HPPUVCWPMSTURQ-WIYYLYMNSA-N 2 0 413.537 3.643 20 0 HHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000482545517 995553839 /nfs/dbraw/zinc/55/38/39/995553839.db2.gz YXGICJVVTOOVPM-MRXNPFEDSA-N 2 0 421.379 3.664 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482559987 995566591 /nfs/dbraw/zinc/56/65/91/995566591.db2.gz ZCZMLXGPOBFKCG-KRWDZBQOSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000482562621 995569521 /nfs/dbraw/zinc/56/95/21/995569521.db2.gz XNRIWCIXWDXHOM-LJQANCHMSA-N 2 0 407.558 3.621 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570406 995575546 /nfs/dbraw/zinc/57/55/46/995575546.db2.gz WJHQWFXYMZBZQZ-YJBOKZPZSA-N 2 0 416.566 3.504 20 0 HHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCCO2 ZINC000482618795 995614443 /nfs/dbraw/zinc/61/44/43/995614443.db2.gz IBOYUYBWYKUUIX-GMAHTHKFSA-N 2 0 407.558 3.696 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4c(F)cccc43)c2)C1 ZINC000482630793 995624369 /nfs/dbraw/zinc/62/43/69/995624369.db2.gz MTZLFAWPSYUBOZ-RXVVDRJESA-N 2 0 413.562 3.850 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)C1 ZINC000482630794 995624439 /nfs/dbraw/zinc/62/44/39/995624439.db2.gz MTZLFAWPSYUBOZ-WIYYLYMNSA-N 2 0 413.562 3.850 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCS(=O)(=O)CC1 ZINC000474716200 995654881 /nfs/dbraw/zinc/65/48/81/995654881.db2.gz XDBULQZRKYOUBM-HXUWFJFHSA-N 2 0 406.636 3.524 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474728020 995662706 /nfs/dbraw/zinc/66/27/06/995662706.db2.gz SITRABKQICPVEW-JCGIZDLHSA-N 2 0 405.995 3.975 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)oc1C ZINC000482900577 995829647 /nfs/dbraw/zinc/82/96/47/995829647.db2.gz MCVYLENEJIUPJC-IBGZPJMESA-N 2 0 414.594 3.795 20 0 HHADRP CC[NH+]1CCN(c2cccc(NCc3ccccc3N3CC[NH+](CC)CC3)c2)CC1 ZINC000475107822 995926588 /nfs/dbraw/zinc/92/65/88/995926588.db2.gz LVBGWUPCNMTPJA-UHFFFAOYSA-N 2 0 407.606 3.583 20 0 HHADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CC2 ZINC000475176192 995972903 /nfs/dbraw/zinc/97/29/03/995972903.db2.gz ZGOIPRHTTWYVBG-LJQANCHMSA-N 2 0 421.589 3.809 20 0 HHADRP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475184750 995981010 /nfs/dbraw/zinc/98/10/10/995981010.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 2 0 412.622 3.945 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140175 995998848 /nfs/dbraw/zinc/99/88/48/995998848.db2.gz ZSOAHWNGNFWTIC-DSKINZAPSA-N 2 0 424.427 3.754 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475270246 996037135 /nfs/dbraw/zinc/03/71/35/996037135.db2.gz PXSVDWBLHWPDRE-SFHVURJKSA-N 2 0 408.498 3.840 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475278332 996041322 /nfs/dbraw/zinc/04/13/22/996041322.db2.gz IQMZIDCMLRUABE-DEOSSOPVSA-N 3 0 406.618 3.830 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475280104 996042178 /nfs/dbraw/zinc/04/21/78/996042178.db2.gz NFAATSSRURUGQC-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)s1 ZINC000483315821 996094160 /nfs/dbraw/zinc/09/41/60/996094160.db2.gz QAVDHBJKLFIQBM-AEFFLSMTSA-N 2 0 423.648 3.568 20 0 HHADRP CS[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483387984 996144795 /nfs/dbraw/zinc/14/47/95/996144795.db2.gz CTKMPEZWGCKMDR-ZEQRLZLVSA-N 2 0 423.626 3.970 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487170 996212422 /nfs/dbraw/zinc/21/24/22/996212422.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 2 0 424.585 3.559 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487561 996213231 /nfs/dbraw/zinc/21/32/31/996213231.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 2 0 424.585 3.559 20 0 HHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000475615494 996249833 /nfs/dbraw/zinc/24/98/33/996249833.db2.gz LEYZWIMWVGJYQM-LJQANCHMSA-N 2 0 409.578 3.509 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483568981 996256588 /nfs/dbraw/zinc/25/65/88/996256588.db2.gz SCXKQQWIOPKJTN-VWNXMTODSA-N 2 0 421.585 3.754 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483592894 996273141 /nfs/dbraw/zinc/27/31/41/996273141.db2.gz BDLKPKCEHZNOLK-VXKWHMMOSA-N 2 0 403.636 3.575 20 0 HHADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736922 996336260 /nfs/dbraw/zinc/33/62/60/996336260.db2.gz XYYUOGGBNRBXBD-AHWVRZQESA-N 2 0 424.585 3.561 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@@H]1C ZINC000483714474 996345092 /nfs/dbraw/zinc/34/50/92/996345092.db2.gz WKBBDTNNNNMMIU-ONTIZHBOSA-N 2 0 416.610 3.736 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C[C@H]1C ZINC000483714475 996345291 /nfs/dbraw/zinc/34/52/91/996345291.db2.gz WKBBDTNNNNMMIU-RZUBCFFCSA-N 2 0 416.610 3.736 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800087 996395855 /nfs/dbraw/zinc/39/58/55/996395855.db2.gz AZOFQGXDGKRHQG-NQIIRXRSSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000483829223 996413702 /nfs/dbraw/zinc/41/37/02/996413702.db2.gz LGTWISPOUVEMDY-FQEVSTJZSA-N 2 0 410.672 3.549 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483845316 996422933 /nfs/dbraw/zinc/42/29/33/996422933.db2.gz BKBDRUZWRZCLDP-FQEVSTJZSA-N 2 0 402.583 3.747 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483887254 996449657 /nfs/dbraw/zinc/44/96/57/996449657.db2.gz RKFPZFAEIJUXIM-ILWGZMRPSA-N 2 0 410.562 3.626 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000483933542 996476708 /nfs/dbraw/zinc/47/67/08/996476708.db2.gz ULMJZNCQWBOTON-UHFFFAOYSA-N 2 0 411.993 3.986 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@@H+]2C2CC2)c1 ZINC000483937587 996478465 /nfs/dbraw/zinc/47/84/65/996478465.db2.gz HJCSACJKJJIDRG-ZEQRLZLVSA-N 2 0 422.573 3.534 20 0 HHADRP CSc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000475951155 996495011 /nfs/dbraw/zinc/49/50/11/996495011.db2.gz CRTQPSSBVVIZFS-UHFFFAOYSA-N 2 0 419.982 3.791 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979276 996503300 /nfs/dbraw/zinc/50/33/00/996503300.db2.gz PNLFWGVALONTNU-HFMPRLQTSA-N 2 0 420.601 3.643 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475995986 996525271 /nfs/dbraw/zinc/52/52/71/996525271.db2.gz HPMHGWKIQMPSSG-JOCHJYFZSA-N 2 0 412.622 3.947 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000476011683 996540321 /nfs/dbraw/zinc/54/03/21/996540321.db2.gz XDHNBJIMEXBBJI-NRFANRHFSA-N 2 0 404.643 3.937 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000476063259 996575677 /nfs/dbraw/zinc/57/56/77/996575677.db2.gz QBPKUQURRDQRLM-QHCPKHFHSA-N 2 0 412.622 3.633 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2Br)CC1 ZINC000484178810 996619802 /nfs/dbraw/zinc/61/98/02/996619802.db2.gz YCDZGVKZUNSVHY-FQEVSTJZSA-N 2 0 421.354 3.918 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000484295239 996685292 /nfs/dbraw/zinc/68/52/92/996685292.db2.gz VEMIHNNTYPKLDE-KAGYGMCKSA-N 2 0 407.624 3.778 20 0 HHADRP O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000484299801 996688460 /nfs/dbraw/zinc/68/84/60/996688460.db2.gz HCYNTCXSCLMFPB-OAQYLSRUSA-N 2 0 411.571 3.547 20 0 HHADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000484483402 996804352 /nfs/dbraw/zinc/80/43/52/996804352.db2.gz LROQWKFLDMXBQZ-ZDUSSCGKSA-N 2 0 407.452 3.566 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484484761 996806142 /nfs/dbraw/zinc/80/61/42/996806142.db2.gz OHHLOLUFXPNRBM-AABGKKOBSA-N 2 0 417.619 3.759 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000484494353 996818261 /nfs/dbraw/zinc/81/82/61/996818261.db2.gz VPTBCNFXYULTBP-LJQANCHMSA-N 2 0 402.583 3.942 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564311 997058982 /nfs/dbraw/zinc/05/89/82/997058982.db2.gz KVLZFGBXNZBLPR-AAZCMCCISA-N 2 0 420.601 3.654 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1C ZINC000485016566 997381537 /nfs/dbraw/zinc/38/15/37/997381537.db2.gz KNAWDDVSJRMYEZ-NQIIRXRSSA-N 2 0 404.624 3.614 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476876438 997455476 /nfs/dbraw/zinc/45/54/76/997455476.db2.gz YQABAXWLHBTHEZ-UTKZUKDTSA-N 2 0 404.986 3.573 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000476877487 997456528 /nfs/dbraw/zinc/45/65/28/997456528.db2.gz GBOLUNZRUCOWKQ-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000485121319 997504772 /nfs/dbraw/zinc/50/47/72/997504772.db2.gz IQYPOFDLAHSSTL-UHFFFAOYSA-N 2 0 422.617 3.772 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476906704 997513088 /nfs/dbraw/zinc/51/30/88/997513088.db2.gz XQLHBWCZIKWJLD-HSZRJFAPSA-N 2 0 412.553 3.914 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000476982747 997605507 /nfs/dbraw/zinc/60/55/07/997605507.db2.gz JQXDXFSEAFXXAF-IBGZPJMESA-N 2 0 403.636 3.999 20 0 HHADRP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476995400 997623988 /nfs/dbraw/zinc/62/39/88/997623988.db2.gz NLDXILJEKIETCO-RTBURBONSA-N 2 0 403.636 3.998 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000485247148 997632387 /nfs/dbraw/zinc/63/23/87/997632387.db2.gz REYCLXMSZMORAZ-GBXCKJPGSA-N 2 0 408.590 3.889 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029982 997662195 /nfs/dbraw/zinc/66/21/95/997662195.db2.gz UVCJNNBNFQYANB-HBGVWJBISA-N 2 0 407.961 3.995 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1F ZINC000477065580 997710983 /nfs/dbraw/zinc/71/09/83/997710983.db2.gz XNVVWCCKRHTCDB-QHCPKHFHSA-N 2 0 412.553 3.597 20 0 HHADRP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336070 997752074 /nfs/dbraw/zinc/75/20/74/997752074.db2.gz IDFOOGRQCOZFHU-VEYUFSJPSA-N 4 0 410.650 3.519 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343553 997763254 /nfs/dbraw/zinc/76/32/54/997763254.db2.gz HOICMOQHWZJXQJ-WMZHIEFXSA-N 2 0 410.537 3.723 20 0 HHADRP CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477160209 997822215 /nfs/dbraw/zinc/82/22/15/997822215.db2.gz KFMLQIOEJYQAJH-DEOSSOPVSA-N 2 0 412.622 3.599 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485501373 997957731 /nfs/dbraw/zinc/95/77/31/997957731.db2.gz KUSZFQCVWSVAFU-UPVQGACJSA-N 2 0 412.622 3.947 20 0 HHADRP COCc1cccc(OCC2(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)CC2)c1 ZINC000477369820 998057241 /nfs/dbraw/zinc/05/72/41/998057241.db2.gz YBCZYCREDOLYEV-OYRHEFFESA-N 2 0 416.606 3.813 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616732 998064015 /nfs/dbraw/zinc/06/40/15/998064015.db2.gz SCOYMBMQABTCGM-SMIHKQSGSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2ncsc2c1 ZINC000485820315 998286228 /nfs/dbraw/zinc/28/62/28/998286228.db2.gz YNHCYMRLHQMXDE-QGZVFWFLSA-N 2 0 408.571 3.859 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965948 998407268 /nfs/dbraw/zinc/40/72/68/998407268.db2.gz IIXFJYRMWRPNPJ-ROUUACIJSA-N 2 0 417.541 3.642 20 0 HHADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1ccc(F)c(F)c1 ZINC000477941265 998671024 /nfs/dbraw/zinc/67/10/24/998671024.db2.gz RYUAGEBRTXEKTE-SEDAZVQISA-N 2 0 400.513 3.616 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000477955244 998680117 /nfs/dbraw/zinc/68/01/17/998680117.db2.gz ONNRXBVCRBWUHK-GRERDSQWSA-N 2 0 409.496 3.574 20 0 HHADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000478002090 998708143 /nfs/dbraw/zinc/70/81/43/998708143.db2.gz ZSTVKARPNDJZBD-PZJWPPBQSA-N 2 0 400.567 3.642 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031561 998723979 /nfs/dbraw/zinc/72/39/79/998723979.db2.gz VFOXQDKYZXCQKS-PMACEKPBSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccccc3C[NH+](C)C)cc2)C[C@H]1C ZINC000486823116 998956837 /nfs/dbraw/zinc/95/68/37/998956837.db2.gz KRWUMNBIVAJNOM-OYRHEFFESA-N 2 0 423.601 3.687 20 0 HHADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051467 999267992 /nfs/dbraw/zinc/26/79/92/999267992.db2.gz AALLUXFMDWSNGH-HKUYNNGSSA-N 2 0 410.400 3.713 20 0 HHADRP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051475 999268149 /nfs/dbraw/zinc/26/81/49/999268149.db2.gz AALLUXFMDWSNGH-MJGOQNOKSA-N 2 0 410.400 3.713 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CC2 ZINC000479059707 999273578 /nfs/dbraw/zinc/27/35/78/999273578.db2.gz LLQQVYBJTJOSHC-IERDGZPVSA-N 2 0 413.537 3.933 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488009646 999346580 /nfs/dbraw/zinc/34/65/80/999346580.db2.gz URLSBTFVSTVFCE-GHTZIAJQSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000479282304 999363614 /nfs/dbraw/zinc/36/36/14/999363614.db2.gz IJHOWUJCIOIQAS-OLZOCXBDSA-N 2 0 408.306 3.754 20 0 HHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331526 999389235 /nfs/dbraw/zinc/38/92/35/999389235.db2.gz RBPBMNUOOWPIQX-KGLIPLIRSA-N 2 0 422.422 3.946 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(OC)c(OC)cc43)cc2)CC1 ZINC000479340011 999393483 /nfs/dbraw/zinc/39/34/83/999393483.db2.gz YWKFWJFTGAOUQC-HSZRJFAPSA-N 2 0 409.574 3.618 20 0 HHADRP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000479446906 999421702 /nfs/dbraw/zinc/42/17/02/999421702.db2.gz OYFUPZBOMWLIIB-IBGZPJMESA-N 2 0 419.363 3.704 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000488545791 999523516 /nfs/dbraw/zinc/52/35/16/999523516.db2.gz JTCHPCJADAPCJY-ZJSXRUAMSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488596049 999540218 /nfs/dbraw/zinc/54/02/18/999540218.db2.gz NAFKMLCWVLDGOI-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488609063 999544483 /nfs/dbraw/zinc/54/44/83/999544483.db2.gz HHRRAJGXNURSML-FQEVSTJZSA-N 2 0 409.574 3.686 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479768298 999581079 /nfs/dbraw/zinc/58/10/79/999581079.db2.gz JBPHLWSCXIDNRI-IAGOWNOFSA-N 2 0 424.010 3.982 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963853 999659062 /nfs/dbraw/zinc/65/90/62/999659062.db2.gz XGBGACJKKHJVPQ-QTQNFUOKSA-N 2 0 410.606 3.554 20 0 HHADRP Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000488995483 999667296 /nfs/dbraw/zinc/66/72/96/999667296.db2.gz IECFCWPTVBCWIZ-RTWAWAEBSA-N 2 0 406.574 3.699 20 0 HHADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000489141844 999710801 /nfs/dbraw/zinc/71/08/01/999710801.db2.gz RPYASZHWXCPHNO-UXHICEINSA-N 2 0 407.002 3.724 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000480140368 999728234 /nfs/dbraw/zinc/72/82/34/999728234.db2.gz CBCODWQFLQYUGA-KRWDZBQOSA-N 2 0 404.576 3.791 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238137 999753340 /nfs/dbraw/zinc/75/33/40/999753340.db2.gz ALWMXJYKIKIAPF-BHIFYINESA-N 2 0 423.601 3.983 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+](C2CCC2)C1 ZINC000489403564 999759964 /nfs/dbraw/zinc/75/99/64/999759964.db2.gz ODRMWYCEYCAZCT-UEXGIBASSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445083 999769046 /nfs/dbraw/zinc/76/90/46/999769046.db2.gz LFSJCEPQUHZTHX-RDPSFJRHSA-N 2 0 412.622 3.993 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Br)c(Cl)s3)CC2)CC1 ZINC000480364445 999781153 /nfs/dbraw/zinc/78/11/53/999781153.db2.gz MYZDLJHKTJVNLR-UHFFFAOYSA-N 2 0 406.821 3.812 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489609371 999802054 /nfs/dbraw/zinc/80/20/54/999802054.db2.gz IYXITNTZEONSNT-RUZDIDTESA-N 2 0 420.601 3.957 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480468267 999806133 /nfs/dbraw/zinc/80/61/33/999806133.db2.gz OABFSVDKMWULBY-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)cc2)C[C@H](C)O1 ZINC000480522160 999817728 /nfs/dbraw/zinc/81/77/28/999817728.db2.gz CJWCQVMUGOQRDX-ZRCGQRJVSA-N 2 0 413.606 3.567 20 0 HHADRP c1c[nH]c([C@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747035 999829946 /nfs/dbraw/zinc/82/99/46/999829946.db2.gz VUSPEDKFSGNWJJ-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480607162 999839305 /nfs/dbraw/zinc/83/93/05/999839305.db2.gz DLGGHEJAYVGERY-VQTJNVASSA-N 2 0 409.640 3.880 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000480607158 999839397 /nfs/dbraw/zinc/83/93/97/999839397.db2.gz DLGGHEJAYVGERY-PMACEKPBSA-N 2 0 409.640 3.880 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1 ZINC000480620628 999843123 /nfs/dbraw/zinc/84/31/23/999843123.db2.gz VPVFXDPXTMOZRC-HXUWFJFHSA-N 2 0 409.640 3.880 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480624501 999844117 /nfs/dbraw/zinc/84/41/17/999844117.db2.gz YZXHRBDPXMFTTH-MOPGFXCFSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822704 999844336 /nfs/dbraw/zinc/84/43/36/999844336.db2.gz ALPXHNMMCNAVAI-FUPPJEDESA-N 2 0 400.611 3.708 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489829799 999845349 /nfs/dbraw/zinc/84/53/49/999845349.db2.gz JNTYSJVFDCNEQG-GMAHTHKFSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000489836427 999846638 /nfs/dbraw/zinc/84/66/38/999846638.db2.gz QLBGXLQZIRUHFP-XPNTWCBSSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000489836425 999846827 /nfs/dbraw/zinc/84/68/27/999846827.db2.gz QLBGXLQZIRUHFP-MQSCRBSSSA-N 2 0 400.611 3.851 20 0 HHADRP C[N@H+](CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000489861274 999850467 /nfs/dbraw/zinc/85/04/67/999850467.db2.gz DXYAXBAYXAACOL-UHFFFAOYSA-N 2 0 408.590 3.815 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Br)c(Cl)s3)ccn2)CC1 ZINC000480662919 999853924 /nfs/dbraw/zinc/85/39/24/999853924.db2.gz LDAZMJFXBHDGQU-UHFFFAOYSA-N 2 0 415.788 3.601 20 0 HHADRP CCOc1ccc([C@@H](CC)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC ZINC000480685653 999858939 /nfs/dbraw/zinc/85/89/39/999858939.db2.gz AZXBCQAHSHONPG-OAQYLSRUSA-N 2 0 412.578 3.872 20 0 HHADRP C[N@H+](CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000489910566 999860470 /nfs/dbraw/zinc/86/04/70/999860470.db2.gz JABOUVQFQVNERW-UHFFFAOYSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712193 999865504 /nfs/dbraw/zinc/86/55/04/999865504.db2.gz ILXLZZPFFLMDRH-UNMCSNQZSA-N 2 0 413.606 3.657 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000490355642 999943525 /nfs/dbraw/zinc/94/35/25/999943525.db2.gz QSBLKVBTSRJBBF-YZGWKJHDSA-N 2 0 403.368 3.536 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(-c2ccco2)cc1F ZINC000490506395 999968744 /nfs/dbraw/zinc/96/87/44/999968744.db2.gz WWVKKXRMSVLQIL-UHFFFAOYSA-N 2 0 423.492 3.815 20 0 HHADRP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825834 1000012541 /nfs/dbraw/zinc/01/25/41/1000012541.db2.gz LCPYLWVTKCOFLL-TZIWHRDSSA-N 2 0 410.562 3.659 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000490951185 1000026548 /nfs/dbraw/zinc/02/65/48/1000026548.db2.gz OKKZUXCTASBBMR-JOCHJYFZSA-N 2 0 412.603 3.702 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000490980311 1000030171 /nfs/dbraw/zinc/03/01/71/1000030171.db2.gz IJWLUJSEJFACPH-LJQANCHMSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000491016660 1000034117 /nfs/dbraw/zinc/03/41/17/1000034117.db2.gz DASYKGICFQADJU-KKSFZXQISA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491322668 1000065122 /nfs/dbraw/zinc/06/51/22/1000065122.db2.gz MBUQRKSMZJUWPH-LJQANCHMSA-N 2 0 424.593 3.846 20 0 HHADRP C[N@H+](CCNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000491838572 1000097094 /nfs/dbraw/zinc/09/70/94/1000097094.db2.gz SUUHNBGPONWACF-UHFFFAOYSA-N 2 0 413.393 3.695 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000492147818 1000111778 /nfs/dbraw/zinc/11/17/78/1000111778.db2.gz KYEBCTVBMYKDJC-UHFFFAOYSA-N 2 0 421.585 3.782 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515521 1000130459 /nfs/dbraw/zinc/13/04/59/1000130459.db2.gz NYFFMPQZMVMJKG-VTZPFEBOSA-N 2 0 422.617 3.850 20 0 HHADRP CN(CC[N@H+](C)CCSc1ccnc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000492913174 1000149451 /nfs/dbraw/zinc/14/94/51/1000149451.db2.gz SASRHVRPTYGYRD-UHFFFAOYSA-N 2 0 407.027 3.938 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1)C1CC1 ZINC000504557430 1000268622 /nfs/dbraw/zinc/26/86/22/1000268622.db2.gz ZKLCAPFAGNZHDH-UHFFFAOYSA-N 2 0 420.601 3.845 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000494617833 1000576521 /nfs/dbraw/zinc/57/65/21/1000576521.db2.gz CDMMISQSHYUOPG-ZDUSSCGKSA-N 2 0 410.381 3.653 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494908741 1000724522 /nfs/dbraw/zinc/72/45/22/1000724522.db2.gz LXVPNSKJXZFALS-NRFANRHFSA-N 2 0 408.590 3.641 20 0 HHADRP COc1ccccc1N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000505423680 1000763193 /nfs/dbraw/zinc/76/31/93/1000763193.db2.gz WILKGJOPBVHUKG-UHFFFAOYSA-N 2 0 408.590 3.548 20 0 HHADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)CCC(F)(F)F ZINC000495008516 1000776537 /nfs/dbraw/zinc/77/65/37/1000776537.db2.gz YFOYPBFXOFODSK-QGZVFWFLSA-N 2 0 414.516 3.786 20 0 HHADRP Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000495073757 1000814467 /nfs/dbraw/zinc/81/44/67/1000814467.db2.gz JXQFNYKHAUBIBS-DMKPSLHHSA-N 2 0 401.530 3.646 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081769 1000818222 /nfs/dbraw/zinc/81/82/22/1000818222.db2.gz VLKTXZDMNGPQOB-MJGOQNOKSA-N 2 0 405.995 3.862 20 0 HHADRP COc1cccc(N2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000505604915 1000930467 /nfs/dbraw/zinc/93/04/67/1000930467.db2.gz CIFXBAIJXLYCDG-UHFFFAOYSA-N 2 0 408.590 3.548 20 0 HHADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000495439908 1001012874 /nfs/dbraw/zinc/01/28/74/1001012874.db2.gz OPURLEZQZHDUCW-OAHLLOKOSA-N 2 0 420.351 3.679 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000505800146 1001033385 /nfs/dbraw/zinc/03/33/85/1001033385.db2.gz AXJJXIFZMHXOQW-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925975 1001106141 /nfs/dbraw/zinc/10/61/41/1001106141.db2.gz ZHHZAXLRKZIOPI-UNMCSNQZSA-N 2 0 415.647 3.962 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000506166039 1001257655 /nfs/dbraw/zinc/25/76/55/1001257655.db2.gz HKAXOZULZVUSIP-JOCHJYFZSA-N 2 0 404.574 3.726 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[NH+](C)C)c1 ZINC000506182244 1001264789 /nfs/dbraw/zinc/26/47/89/1001264789.db2.gz DXDUIOFWHHDQSO-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[NH+](C)C)c1 ZINC000506182245 1001264868 /nfs/dbraw/zinc/26/48/68/1001264868.db2.gz DXDUIOFWHHDQSO-QHCPKHFHSA-N 2 0 416.610 3.596 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C[C@H]1C ZINC000497345621 1001301844 /nfs/dbraw/zinc/30/18/44/1001301844.db2.gz FEFNLMJAGBEEBP-AOHZBQACSA-N 2 0 415.622 3.855 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446153 1001370089 /nfs/dbraw/zinc/37/00/89/1001370089.db2.gz SCQKNKJMBXERQB-UTKZUKDTSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497496293 1001401928 /nfs/dbraw/zinc/40/19/28/1001401928.db2.gz YNVXAQULRAJUEX-AHRSYUTCSA-N 2 0 424.511 3.548 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564899 1001437731 /nfs/dbraw/zinc/43/77/31/1001437731.db2.gz UBWZKODVVZXVPA-QHCPKHFHSA-N 2 0 412.622 3.805 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515687 1001447767 /nfs/dbraw/zinc/44/77/67/1001447767.db2.gz LQOPXSBDBAYFJF-NRFANRHFSA-N 2 0 407.549 3.772 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000497607577 1001456733 /nfs/dbraw/zinc/45/67/33/1001456733.db2.gz MVFZITZLCHSFBD-HTAPYJJXSA-N 2 0 400.542 3.686 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497722779 1001495748 /nfs/dbraw/zinc/49/57/48/1001495748.db2.gz ZHTQWNPFNPWPKF-NRFANRHFSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497866566 1001542246 /nfs/dbraw/zinc/54/22/46/1001542246.db2.gz FLKFDPOOYXNLKV-OXQOHEQNSA-N 2 0 406.368 3.747 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)C ZINC000506891588 1001582988 /nfs/dbraw/zinc/58/29/88/1001582988.db2.gz AKPHFBWCLIPFRP-UHFFFAOYSA-N 2 0 406.640 3.860 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934168 1001601838 /nfs/dbraw/zinc/60/18/38/1001601838.db2.gz OIAKFMGUTURZTL-RTWAWAEBSA-N 2 0 422.683 3.644 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000498023471 1001609910 /nfs/dbraw/zinc/60/99/10/1001609910.db2.gz BNILXQHGGMALNG-KNQAVFIVSA-N 2 0 412.603 3.657 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952214 1001725058 /nfs/dbraw/zinc/72/50/58/1001725058.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 2 0 412.622 3.731 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)c1 ZINC000506953763 1001726678 /nfs/dbraw/zinc/72/66/78/1001726678.db2.gz QEJJKUYJBQYHSO-MZKRTTBSSA-N 2 0 416.610 3.594 20 0 HHADRP Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204343 1001892545 /nfs/dbraw/zinc/89/25/45/1001892545.db2.gz KOXRIQXRZFPBCN-GGAORHGYSA-N 2 0 405.586 3.954 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(c2ccc(F)cc2)CCCCC1 ZINC000498509290 1001931922 /nfs/dbraw/zinc/93/19/22/1001931922.db2.gz XMIWZDOFQSXXNF-UHFFFAOYSA-N 2 0 424.564 3.751 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000507379039 1002035217 /nfs/dbraw/zinc/03/52/17/1002035217.db2.gz LOHPFMRYUFDJPX-NJDAHSKKSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000507443270 1002073254 /nfs/dbraw/zinc/07/32/54/1002073254.db2.gz MCJZSXOYVJXSAU-MRXNPFEDSA-N 2 0 414.331 3.826 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706345 1002090308 /nfs/dbraw/zinc/09/03/08/1002090308.db2.gz FYAOSHLRGVIBLD-IFMALSPDSA-N 2 0 424.589 3.796 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717167 1002098458 /nfs/dbraw/zinc/09/84/58/1002098458.db2.gz LVTKGWOWBFAOCL-IRLDBZIGSA-N 2 0 412.578 3.572 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)N1Cc2ccccc2C1 ZINC000507522682 1002131231 /nfs/dbraw/zinc/13/12/31/1002131231.db2.gz BNCIZNLPVSJOMA-UBFVSLLYSA-N 2 0 403.570 3.809 20 0 HHADRP CSc1ccc(Cl)cc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498806044 1002189953 /nfs/dbraw/zinc/18/99/53/1002189953.db2.gz PMMCJWNFGGKVES-UHFFFAOYSA-N 2 0 419.982 3.791 20 0 HHADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691078 1002283008 /nfs/dbraw/zinc/28/30/08/1002283008.db2.gz YNDHSWZYMACYMP-OAQYLSRUSA-N 2 0 417.500 3.723 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507707614 1002297827 /nfs/dbraw/zinc/29/78/27/1002297827.db2.gz KPXATRDFYQTEOB-UHFFFAOYSA-N 2 0 414.569 3.953 20 0 HHADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000507918267 1002452226 /nfs/dbraw/zinc/45/22/26/1002452226.db2.gz FHDYHFOUDPGDJA-UHFFFAOYSA-N 2 0 407.558 3.726 20 0 HHADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000507936238 1002470348 /nfs/dbraw/zinc/47/03/48/1002470348.db2.gz POXMKHZWIHEAHN-UHFFFAOYSA-N 2 0 402.579 3.633 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533278 /nfs/dbraw/zinc/53/32/78/1002533278.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 2 0 405.586 3.804 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000508187604 1002722966 /nfs/dbraw/zinc/72/29/66/1002722966.db2.gz PNIOEYKRTOEGSF-WOJBJXKFSA-N 2 0 400.611 3.648 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000499517983 1002907201 /nfs/dbraw/zinc/90/72/01/1002907201.db2.gz FXZWWCAARPTEKA-GOSISDBHSA-N 2 0 421.010 3.952 20 0 HHADRP CCc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[NH+](C)C)cc1 ZINC000508470114 1002954511 /nfs/dbraw/zinc/95/45/11/1002954511.db2.gz RVNYSSXHNFNHRM-QHCPKHFHSA-N 2 0 411.615 3.831 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712116 1003150914 /nfs/dbraw/zinc/15/09/14/1003150914.db2.gz BTVJRJDYHWOEBH-SLRMUYRHSA-N 2 0 413.512 3.737 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966943 1003286295 /nfs/dbraw/zinc/28/62/95/1003286295.db2.gz DMTWLZSHDDWSCM-UKILVPOCSA-N 2 0 412.622 3.662 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870114 1003291057 /nfs/dbraw/zinc/29/10/57/1003291057.db2.gz KQWLJAFLZGJYEH-SIKLNZKXSA-N 2 0 400.567 3.743 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000508883001 1003306673 /nfs/dbraw/zinc/30/66/73/1003306673.db2.gz SMDQJZLHACLKML-REWPJTCUSA-N 2 0 418.626 3.519 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+](C)C ZINC000508903860 1003341882 /nfs/dbraw/zinc/34/18/82/1003341882.db2.gz YHYVZZHZTUXBJV-NQIIRXRSSA-N 2 0 402.608 3.821 20 0 HHADRP Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C(C)C ZINC000500024766 1003350971 /nfs/dbraw/zinc/35/09/71/1003350971.db2.gz KIJOVUSRRBSLIM-NRFANRHFSA-N 2 0 424.589 3.609 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000500090125 1003450247 /nfs/dbraw/zinc/45/02/47/1003450247.db2.gz QGDINFINHXUDKM-WFXMLNOXSA-N 2 0 413.566 3.629 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509032976 1003503884 /nfs/dbraw/zinc/50/38/84/1003503884.db2.gz PTGJYGWCJAFXDA-JGUMPVPUSA-N 2 0 407.002 3.990 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000500594647 1003807632 /nfs/dbraw/zinc/80/76/32/1003807632.db2.gz FQORVOKDMLQKDM-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719442 1003918952 /nfs/dbraw/zinc/91/89/52/1003918952.db2.gz ZOCIKFPLSAABAN-REWPJTCUSA-N 2 0 421.589 3.775 20 0 HHADRP C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500781211 1003952669 /nfs/dbraw/zinc/95/26/69/1003952669.db2.gz NNHYJEHRGWNGII-GMAHTHKFSA-N 2 0 421.589 3.571 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500804302 1003967580 /nfs/dbraw/zinc/96/75/80/1003967580.db2.gz JDIYDFBXLGIYDP-UHFFFAOYSA-N 2 0 423.605 3.981 20 0 HHADRP CCC(CC)[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCC1 ZINC000500809554 1003970932 /nfs/dbraw/zinc/97/09/32/1003970932.db2.gz CXCYVANYEAOBGM-QHCPKHFHSA-N 2 0 415.626 3.840 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)c1 ZINC000500834676 1003990971 /nfs/dbraw/zinc/99/09/71/1003990971.db2.gz RWCDIRGIEYRTIY-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000500844990 1003997836 /nfs/dbraw/zinc/99/78/36/1003997836.db2.gz YAJBOLRRRZFKJE-QHCPKHFHSA-N 2 0 400.611 3.805 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512104801 1004026096 /nfs/dbraw/zinc/02/60/96/1004026096.db2.gz JRELMPXRNLKGQM-NFBKMPQASA-N 2 0 400.611 3.708 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512158240 1004065534 /nfs/dbraw/zinc/06/55/34/1004065534.db2.gz KKJHKNQJRDVKCT-NHTMILBNSA-N 2 0 424.633 3.945 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000512158242 1004065646 /nfs/dbraw/zinc/06/56/46/1004065646.db2.gz KKJHKNQJRDVKCT-XWGVYQGASA-N 2 0 424.633 3.945 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509766216 1004081578 /nfs/dbraw/zinc/08/15/78/1004081578.db2.gz HACRPVMRDRRLIN-CTNGQTDRSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183739 1004086006 /nfs/dbraw/zinc/08/60/06/1004086006.db2.gz VXHDVBSXIVSYFI-IRXDYDNUSA-N 2 0 400.485 3.949 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019411 1004121922 /nfs/dbraw/zinc/12/19/22/1004121922.db2.gz ISOFAZDPUMOMKJ-UHFFFAOYSA-N 2 0 402.926 3.531 20 0 HHADRP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025450 1004128592 /nfs/dbraw/zinc/12/85/92/1004128592.db2.gz FJENHZWHQSDJBE-UHFFFAOYSA-N 2 0 421.589 3.777 20 0 HHADRP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045416 1004147350 /nfs/dbraw/zinc/14/73/50/1004147350.db2.gz JVPRHIBZDMIBMX-MRXNPFEDSA-N 2 0 418.488 3.858 20 0 HHADRP C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051074 1004153662 /nfs/dbraw/zinc/15/36/62/1004153662.db2.gz GGTVGMKADQZEPO-UHFFFAOYSA-N 2 0 411.531 3.585 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000501065676 1004168522 /nfs/dbraw/zinc/16/85/22/1004168522.db2.gz GUUCJMOIOZUWAG-XMMPIXPASA-N 2 0 421.589 3.604 20 0 HHADRP COc1ccc([C@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068082 1004170182 /nfs/dbraw/zinc/17/01/82/1004170182.db2.gz KOQDXIZNRCWIED-RUZDIDTESA-N 2 0 424.589 3.752 20 0 HHADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512290037 1004193030 /nfs/dbraw/zinc/19/30/30/1004193030.db2.gz WXOASUWNOCCANH-YFNKSVMNSA-N 2 0 412.599 3.871 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501089376 1004195571 /nfs/dbraw/zinc/19/55/71/1004195571.db2.gz QHYZYTJKMVOITM-ZHFAOOELSA-N 2 0 422.976 3.740 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318211 1004213947 /nfs/dbraw/zinc/21/39/47/1004213947.db2.gz LWGIFKQRFKQVNC-KSZLIROESA-N 2 0 403.567 3.664 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000501149927 1004236746 /nfs/dbraw/zinc/23/67/46/1004236746.db2.gz JBRIMGBVGCCHIM-QHCPKHFHSA-N 2 0 415.626 3.707 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172734 1004252959 /nfs/dbraw/zinc/25/29/59/1004252959.db2.gz IZBLZDHNSRRTGR-PGRDOPGGSA-N 2 0 414.619 3.877 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172735 1004253096 /nfs/dbraw/zinc/25/30/96/1004253096.db2.gz IZBLZDHNSRRTGR-XMSQKQJNSA-N 2 0 414.619 3.877 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512393181 1004266809 /nfs/dbraw/zinc/26/68/09/1004266809.db2.gz OMWXKDOGDMTQQL-NRFANRHFSA-N 2 0 413.587 3.785 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510025858 1004274127 /nfs/dbraw/zinc/27/41/27/1004274127.db2.gz MDHMAYSVXCOAGX-QFIPXVFZSA-N 2 0 410.562 3.689 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512406434 1004275689 /nfs/dbraw/zinc/27/56/89/1004275689.db2.gz PXJCESQNHRYIHK-URXFXBBRSA-N 2 0 412.622 3.805 20 0 HHADRP c1ccc(CCOCCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420592 1004286626 /nfs/dbraw/zinc/28/66/26/1004286626.db2.gz LXEATYPKISZVQS-SANMLTNESA-N 2 0 407.602 3.528 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425057 1004291305 /nfs/dbraw/zinc/29/13/05/1004291305.db2.gz WXXHBCGDFXEGHF-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000512432758 1004298853 /nfs/dbraw/zinc/29/88/53/1004298853.db2.gz TYVLSJBXBOCCRZ-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP C[C@@H](C[NH+](C)C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000512436629 1004301403 /nfs/dbraw/zinc/30/14/03/1004301403.db2.gz MEGZAMAHPMQWBH-HNNXBMFYSA-N 2 0 401.382 3.551 20 0 HHADRP Fc1ccc(-c2cc(CN3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481754 1004334510 /nfs/dbraw/zinc/33/45/10/1004334510.db2.gz XXTAWUMGNARMHQ-QHCPKHFHSA-N 2 0 420.532 3.873 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000510119344 1004337430 /nfs/dbraw/zinc/33/74/30/1004337430.db2.gz NVLCXCDKQYVHAX-RBBKRZOGSA-N 2 0 409.574 3.658 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000510144543 1004354876 /nfs/dbraw/zinc/35/48/76/1004354876.db2.gz LMPFMFQSFIVTFH-VXKWHMMOSA-N 2 0 400.611 3.599 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387587 1004383204 /nfs/dbraw/zinc/38/32/04/1004383204.db2.gz IADCSYLSISTWLD-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501393199 1004388116 /nfs/dbraw/zinc/38/81/16/1004388116.db2.gz PDADTNJXFYERAH-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244550 1004421088 /nfs/dbraw/zinc/42/10/88/1004421088.db2.gz UDCNKIMQBJMFCD-RTWAWAEBSA-N 2 0 405.533 3.621 20 0 HHADRP CC(C)[C@@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000501451681 1004430880 /nfs/dbraw/zinc/43/08/80/1004430880.db2.gz OZVYGODLEZKGRY-XMMPIXPASA-N 2 0 401.545 3.958 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640966 1004452393 /nfs/dbraw/zinc/45/23/93/1004452393.db2.gz BWOQNIMLNJZGQE-UWNMQHKVSA-N 2 0 411.634 3.645 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CC1 ZINC000512649427 1004460840 /nfs/dbraw/zinc/46/08/40/1004460840.db2.gz RYQNYNYXGOAHIY-SDVOOXDOSA-N 2 0 411.634 3.844 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472091 /nfs/dbraw/zinc/47/20/91/1004472091.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 2 0 411.634 3.912 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)c2cccs2)CC1 ZINC000510346158 1004497512 /nfs/dbraw/zinc/49/75/12/1004497512.db2.gz KDHFOMZNZAZDBS-IBGZPJMESA-N 2 0 404.624 3.791 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)c2cccs2)CC1 ZINC000510346159 1004497718 /nfs/dbraw/zinc/49/77/18/1004497718.db2.gz KDHFOMZNZAZDBS-LJQANCHMSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693164 1004499082 /nfs/dbraw/zinc/49/90/82/1004499082.db2.gz HKRGDGYUIVFUFX-ZWKOTPCHSA-N 2 0 422.564 3.691 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[NH+](C)C3CCCCC3)CC2)cc1 ZINC000501561594 1004518553 /nfs/dbraw/zinc/51/85/53/1004518553.db2.gz OZOCCLUFAFIMGI-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000501649222 1004574759 /nfs/dbraw/zinc/57/47/59/1004574759.db2.gz YVCOPXZKCYRIME-UHFFFAOYSA-N 2 0 418.582 3.508 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000501657254 1004578952 /nfs/dbraw/zinc/57/89/52/1004578952.db2.gz LLNZDLOHVHMWKE-UHFFFAOYSA-N 2 0 420.598 3.800 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)[NH+](C)C)cc1 ZINC000512820094 1004579356 /nfs/dbraw/zinc/57/93/56/1004579356.db2.gz JGQVIANVPMALKX-JOCHJYFZSA-N 2 0 404.599 3.592 20 0 HHADRP FC(F)OC[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580702 /nfs/dbraw/zinc/58/07/02/1004580702.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 2 0 404.448 3.809 20 0 HHADRP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836678 1004595326 /nfs/dbraw/zinc/59/53/26/1004595326.db2.gz AWDGEPZWPXYFMY-MOPGFXCFSA-N 2 0 402.583 3.710 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512853137 1004616435 /nfs/dbraw/zinc/61/64/35/1004616435.db2.gz TZPZBZHQZMKDRX-WOJBJXKFSA-N 2 0 424.511 3.550 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510508905 1004631269 /nfs/dbraw/zinc/63/12/69/1004631269.db2.gz CBJFQOUTLFNYKQ-TZIWHRDSSA-N 2 0 400.611 3.979 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544868 1004677401 /nfs/dbraw/zinc/67/74/01/1004677401.db2.gz JQMLJTVCIHLSNP-NSHGMRRFSA-N 2 0 404.624 3.837 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000510547574 1004681189 /nfs/dbraw/zinc/68/11/89/1004681189.db2.gz OZFIVTXNBXJLDU-AUSIDOKSSA-N 2 0 411.615 3.965 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000512916597 1004687827 /nfs/dbraw/zinc/68/78/27/1004687827.db2.gz DTRCEPXYPQVOJL-QHCPKHFHSA-N 2 0 416.610 3.736 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000501779274 1004719085 /nfs/dbraw/zinc/71/90/85/1004719085.db2.gz ALXFQNOHGZBNMR-DEOSSOPVSA-N 2 0 406.574 3.741 20 0 HHADRP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(CCC[NH+](C)C)CC3)ccc2c1 ZINC000501791715 1004734759 /nfs/dbraw/zinc/73/47/59/1004734759.db2.gz BLUXJJJIHBGIJW-UHFFFAOYSA-N 2 0 411.590 3.861 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793311 1004735930 /nfs/dbraw/zinc/73/59/30/1004735930.db2.gz VJFSJHFMJYJWMS-LYGPYEHVSA-N 2 0 419.654 3.530 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(Br)cc32)c1 ZINC000510740951 1004827011 /nfs/dbraw/zinc/82/70/11/1004827011.db2.gz WUVWBLZSDNBUOM-FQEVSTJZSA-N 2 0 416.363 3.518 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000513346427 1004921426 /nfs/dbraw/zinc/92/14/26/1004921426.db2.gz VBQOLSVKAFZSAB-FYYLOGMGSA-N 2 0 400.611 3.615 20 0 HHADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000513365546 1004927883 /nfs/dbraw/zinc/92/78/83/1004927883.db2.gz GTELZRIXUQHACG-UHFFFAOYSA-N 2 0 420.601 3.615 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000513368982 1004929689 /nfs/dbraw/zinc/92/96/89/1004929689.db2.gz BYOLPNUIQHYKBE-QHCPKHFHSA-N 2 0 400.611 3.758 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000513372059 1004931008 /nfs/dbraw/zinc/93/10/08/1004931008.db2.gz ODLULZYCVCQRNZ-UHFFFAOYSA-N 2 0 408.590 3.703 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)CC1 ZINC000513452728 1004973584 /nfs/dbraw/zinc/97/35/84/1004973584.db2.gz ZXPZPPJMWROVIR-HSZRJFAPSA-N 2 0 409.622 3.690 20 0 HHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000513506277 1004995172 /nfs/dbraw/zinc/99/51/72/1004995172.db2.gz PLVMGCIZGNGENU-IFMALSPDSA-N 2 0 409.574 3.544 20 0 HHADRP O=C(C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000511057847 1005001066 /nfs/dbraw/zinc/00/10/66/1005001066.db2.gz CBPUMYMDKFSEBA-UHFFFAOYSA-N 2 0 409.496 3.660 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511228744 1005082715 /nfs/dbraw/zinc/08/27/15/1005082715.db2.gz OLJISTIEKXNDNB-DENIHFKCSA-N 2 0 400.611 3.933 20 0 HHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000502475109 1005086600 /nfs/dbraw/zinc/08/66/00/1005086600.db2.gz IWOYBFLWGCNJLB-CVDCTZTESA-N 2 0 412.574 3.690 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000513712414 1005092498 /nfs/dbraw/zinc/09/24/98/1005092498.db2.gz BZCDOFLWUCRCJA-SFHVURJKSA-N 2 0 401.576 3.788 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511254655 1005093925 /nfs/dbraw/zinc/09/39/25/1005093925.db2.gz RJSDYYYXOLDALQ-UXHICEINSA-N 2 0 413.610 3.521 20 0 HHADRP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284821 1005107394 /nfs/dbraw/zinc/10/73/94/1005107394.db2.gz FBVXNFUSWSHLHE-UTKZUKDTSA-N 2 0 404.986 3.644 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1)C1CC1 ZINC000511416128 1005166662 /nfs/dbraw/zinc/16/66/62/1005166662.db2.gz RPKUHXNZXXYEKN-UHFFFAOYSA-N 2 0 406.574 3.983 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514013270 1005228262 /nfs/dbraw/zinc/22/82/62/1005228262.db2.gz LWRRKUDRPNITBG-QFIPXVFZSA-N 2 0 400.611 3.710 20 0 HHADRP CCC1(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021425 1005231297 /nfs/dbraw/zinc/23/12/97/1005231297.db2.gz ZLJZSBYAVCKNAP-HSZRJFAPSA-N 2 0 414.638 3.956 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514026593 1005233610 /nfs/dbraw/zinc/23/36/10/1005233610.db2.gz IPVZEGLXQYHKOE-JOCHJYFZSA-N 2 0 400.611 3.710 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033130 1005236182 /nfs/dbraw/zinc/23/61/82/1005236182.db2.gz QBBHZJQDZQABDO-GBXCKJPGSA-N 2 0 406.574 3.917 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600129 1005240514 /nfs/dbraw/zinc/24/05/14/1005240514.db2.gz RKFTUXWVBVXVLM-YADHBBJMSA-N 2 0 400.611 3.564 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600126 1005240581 /nfs/dbraw/zinc/24/05/81/1005240581.db2.gz RKFTUXWVBVXVLM-FCHUYYIVSA-N 2 0 400.611 3.564 20 0 HHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000502845006 1005241734 /nfs/dbraw/zinc/24/17/34/1005241734.db2.gz NKXIQGIPWLEPII-WOJBJXKFSA-N 2 0 408.590 3.862 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889494 1005260823 /nfs/dbraw/zinc/26/08/23/1005260823.db2.gz XLQGQNXYHWLEGP-REWPJTCUSA-N 2 0 416.610 3.643 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889490 1005260976 /nfs/dbraw/zinc/26/09/76/1005260976.db2.gz XLQGQNXYHWLEGP-NFBKMPQASA-N 2 0 416.610 3.643 20 0 HHADRP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514092174 1005261510 /nfs/dbraw/zinc/26/15/10/1005261510.db2.gz CNQRVSCUPFPFJV-FQEVSTJZSA-N 2 0 410.558 3.971 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](C)CC1 ZINC000514094995 1005262983 /nfs/dbraw/zinc/26/29/83/1005262983.db2.gz PGXGSODEMWYUTI-QUMGSSFMSA-N 3 0 412.666 3.539 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096962 1005264135 /nfs/dbraw/zinc/26/41/35/1005264135.db2.gz YYZHEOGMTDTDRB-AQNXPRMDSA-N 2 0 405.546 3.727 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502909879 1005270671 /nfs/dbraw/zinc/27/06/71/1005270671.db2.gz IQFGSWCXUZDMED-NRFANRHFSA-N 2 0 400.592 3.657 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115271 1005272326 /nfs/dbraw/zinc/27/23/26/1005272326.db2.gz QSNYBZKPCZHROR-JTHBVZDNSA-N 2 0 400.611 3.943 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678372 1005272876 /nfs/dbraw/zinc/27/28/76/1005272876.db2.gz ZGGQKOVSHIFNQO-XXBNENTESA-N 2 0 409.599 3.801 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000514157532 1005293551 /nfs/dbraw/zinc/29/35/51/1005293551.db2.gz GULFHPVHGXJAQX-YADHBBJMSA-N 2 0 410.562 3.861 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217831 1005318291 /nfs/dbraw/zinc/31/82/91/1005318291.db2.gz FYLCBCWZHFBBAJ-AGILITTLSA-N 2 0 406.574 3.958 20 0 HHADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000514243528 1005330007 /nfs/dbraw/zinc/33/00/07/1005330007.db2.gz UKGJTODDHKBPEH-HSZRJFAPSA-N 2 0 410.558 3.888 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503090236 1005344631 /nfs/dbraw/zinc/34/46/31/1005344631.db2.gz OJGVRPAFRNQQCH-QHCPKHFHSA-N 2 0 412.553 3.734 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503111100 1005349998 /nfs/dbraw/zinc/34/99/98/1005349998.db2.gz NBWBALUBJOCXKR-FQEVSTJZSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398555 1005408124 /nfs/dbraw/zinc/40/81/24/1005408124.db2.gz JXKBUGINOJADIT-GMAHTHKFSA-N 2 0 400.611 3.505 20 0 HHADRP CC(C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000503445439 1005422397 /nfs/dbraw/zinc/42/23/97/1005422397.db2.gz DFNXHKKHGDZMSH-DHIUTWEWSA-N 2 0 406.659 3.896 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000503446950 1005422988 /nfs/dbraw/zinc/42/29/88/1005422988.db2.gz NMIWBZJFAKZQPC-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(F)c1 ZINC000503497725 1005437454 /nfs/dbraw/zinc/43/74/54/1005437454.db2.gz GYLICZLFSNDFIR-UGKGYDQZSA-N 2 0 404.574 3.726 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)C2)CC1 ZINC000503501696 1005438732 /nfs/dbraw/zinc/43/87/32/1005438732.db2.gz HHDDCQSDKYVZPW-FCHUYYIVSA-N 2 0 416.610 3.960 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000503986424 1005526488 /nfs/dbraw/zinc/52/64/88/1005526488.db2.gz NRYZOXWNKWVMGP-NRFANRHFSA-N 2 0 404.986 3.574 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000504001176 1005529654 /nfs/dbraw/zinc/52/96/54/1005529654.db2.gz HZGMMLMVZSFVSX-UHFFFAOYSA-N 2 0 408.590 3.787 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(C(F)(F)F)c1 ZINC000531128253 1006007919 /nfs/dbraw/zinc/00/79/19/1006007919.db2.gz IDEOVPWIRUDLSD-MJGOQNOKSA-N 2 0 417.541 3.642 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000514509715 1006013102 /nfs/dbraw/zinc/01/31/02/1006013102.db2.gz FHJSFNKUFDTZGG-UHFFFAOYSA-N 2 0 421.589 3.568 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)c2)CC1 ZINC000514510873 1006013548 /nfs/dbraw/zinc/01/35/48/1006013548.db2.gz ZTQJBVYBRQUNJA-HSZRJFAPSA-N 2 0 409.578 3.561 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000531191079 1006036951 /nfs/dbraw/zinc/03/69/51/1006036951.db2.gz LSZNSVKECKEBEA-UHFFFAOYSA-N 2 0 404.002 3.616 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1cccc(OC)c1 ZINC000531207461 1006047563 /nfs/dbraw/zinc/04/75/63/1006047563.db2.gz YRDOKGWQWDMEOX-XMMPIXPASA-N 2 0 424.589 3.814 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000531380307 1006163302 /nfs/dbraw/zinc/16/33/02/1006163302.db2.gz BWQBROIZCCITAK-UHFFFAOYSA-N 2 0 407.562 3.556 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534181444 1006169360 /nfs/dbraw/zinc/16/93/60/1006169360.db2.gz FOWCWPQJODMGAN-LOSJGSFVSA-N 2 0 423.601 3.531 20 0 HHADRP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534194037 1006184014 /nfs/dbraw/zinc/18/40/14/1006184014.db2.gz KJQTXIASMCWJBV-NHCUHLMSSA-N 2 0 402.583 3.886 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249475 1006256924 /nfs/dbraw/zinc/25/69/24/1006256924.db2.gz GOZOVGTZNYGPOW-YADHBBJMSA-N 2 0 412.622 3.805 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250101 1006257047 /nfs/dbraw/zinc/25/70/47/1006257047.db2.gz IJNTUNYTBZTDLO-WIYYLYMNSA-N 2 0 424.992 3.893 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250799 1006258168 /nfs/dbraw/zinc/25/81/68/1006258168.db2.gz MTESSPSJGSNAII-DYESRHJHSA-N 2 0 424.992 3.988 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000531531991 1006259593 /nfs/dbraw/zinc/25/95/93/1006259593.db2.gz LFAFDKYRFRTRBH-IBGZPJMESA-N 2 0 409.574 3.840 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000531677529 1006348960 /nfs/dbraw/zinc/34/89/60/1006348960.db2.gz UBPVIVWRRYQIBW-WZONZLPQSA-N 2 0 415.603 3.645 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000531702941 1006365995 /nfs/dbraw/zinc/36/59/95/1006365995.db2.gz VTPWDIVJHXSBPR-AUSIDOKSSA-N 2 0 421.651 3.647 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000515290494 1006380296 /nfs/dbraw/zinc/38/02/96/1006380296.db2.gz ZOXMZRCZCCYXGM-HXUWFJFHSA-N 2 0 402.583 3.905 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000515291111 1006380344 /nfs/dbraw/zinc/38/03/44/1006380344.db2.gz WPONNFLPLAILIC-ZEQRLZLVSA-N 2 0 424.589 3.824 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534441188 1006418588 /nfs/dbraw/zinc/41/85/88/1006418588.db2.gz DKRDPVJDRWCOMO-JDBUVZGPSA-N 2 0 412.622 3.516 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866345 1006487125 /nfs/dbraw/zinc/48/71/25/1006487125.db2.gz PECHZLTZTYZTPC-FQEVSTJZSA-N 2 0 422.960 3.875 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517467 1006510575 /nfs/dbraw/zinc/51/05/75/1006510575.db2.gz RNYWMPQJZXPYGM-RTBURBONSA-N 2 0 423.557 3.949 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCC(O)(C(F)(F)F)CC3)CC2)c1 ZINC000531945407 1006536438 /nfs/dbraw/zinc/53/64/38/1006536438.db2.gz QXPAXVOQXFHSME-UHFFFAOYSA-N 2 0 413.528 3.723 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000531955262 1006544104 /nfs/dbraw/zinc/54/41/04/1006544104.db2.gz RAVMIXCBGRMCOY-UHFFFAOYSA-N 2 0 406.618 3.843 20 0 HHADRP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n(-c2ccccc2)n1 ZINC000515677237 1006583663 /nfs/dbraw/zinc/58/36/63/1006583663.db2.gz QOWOHZDABLLWNW-QHCPKHFHSA-N 2 0 416.569 3.891 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000532042242 1006596322 /nfs/dbraw/zinc/59/63/22/1006596322.db2.gz GQCOXFKBAZPHJD-QFIPXVFZSA-N 2 0 422.617 3.843 20 0 HHADRP COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000532104447 1006637275 /nfs/dbraw/zinc/63/72/75/1006637275.db2.gz DMQTUTVDVOCMPZ-JOCHJYFZSA-N 2 0 422.617 3.984 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756052 1006644314 /nfs/dbraw/zinc/64/43/14/1006644314.db2.gz GPJDDOLFIDPZMR-RBUKOAKNSA-N 2 0 414.594 3.698 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1F ZINC000538388933 1006658460 /nfs/dbraw/zinc/65/84/60/1006658460.db2.gz KSMQVKADSVYCPT-LJQANCHMSA-N 2 0 413.537 3.528 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000534683482 1006662062 /nfs/dbraw/zinc/66/20/62/1006662062.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 2 0 420.601 3.985 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532199941 1006715994 /nfs/dbraw/zinc/71/59/94/1006715994.db2.gz YKAYYDFBALASLY-MRXNPFEDSA-N 2 0 408.575 3.511 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000532201049 1006716671 /nfs/dbraw/zinc/71/66/71/1006716671.db2.gz BCQRBXDVKKJZHE-GUDVDZBRSA-N 2 0 416.587 3.550 20 0 HHADRP CC(=O)Nc1ccccc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000538454617 1006723573 /nfs/dbraw/zinc/72/35/73/1006723573.db2.gz GXOKDOJQKGVBCA-PMACEKPBSA-N 2 0 409.574 3.944 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874121 1006729887 /nfs/dbraw/zinc/72/98/87/1006729887.db2.gz FDENRCGDCCAHII-NTKDMRAZSA-N 2 0 410.558 3.651 20 0 HHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225487 1006733387 /nfs/dbraw/zinc/73/33/87/1006733387.db2.gz XXNKJCKHMKENPH-URXFXBBRSA-N 2 0 407.558 3.560 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546751 1006809098 /nfs/dbraw/zinc/80/90/98/1006809098.db2.gz QGMDJYQVNZDZMB-BWKNWUBXSA-N 2 0 407.606 3.935 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000532394822 1006842438 /nfs/dbraw/zinc/84/24/38/1006842438.db2.gz VWAIMJHOONUARS-RMNGQBEXSA-N 2 0 414.638 3.905 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532446383 1006888985 /nfs/dbraw/zinc/88/89/85/1006888985.db2.gz RVACZPKDZPOAFP-LJQANCHMSA-N 2 0 406.574 3.560 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000532452172 1006894593 /nfs/dbraw/zinc/89/45/93/1006894593.db2.gz YPUMBDUBNJECMK-MVYVIFSASA-N 2 0 400.485 3.621 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000534910471 1006943645 /nfs/dbraw/zinc/94/36/45/1006943645.db2.gz VGVRRFDTZYPVRS-CQSZACIVSA-N 2 0 402.917 3.806 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000538725506 1007002759 /nfs/dbraw/zinc/00/27/59/1007002759.db2.gz ZJOCXQOYMULXDE-UHFFFAOYSA-N 3 0 416.654 3.540 20 0 HHADRP COc1ccccc1[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000532579332 1007013077 /nfs/dbraw/zinc/01/30/77/1007013077.db2.gz STYIRJDZOLWUSN-HSZRJFAPSA-N 2 0 421.585 3.527 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534969393 1007024439 /nfs/dbraw/zinc/02/44/39/1007024439.db2.gz RIMHPWYARNJNTK-DYESRHJHSA-N 2 0 422.976 3.646 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)ccn1 ZINC000534970532 1007026103 /nfs/dbraw/zinc/02/61/03/1007026103.db2.gz FUAGKIROYFCZSD-UHFFFAOYSA-N 2 0 419.573 3.850 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971355 1007027449 /nfs/dbraw/zinc/02/74/49/1007027449.db2.gz NEQBLDXFNHGDFQ-OXJNMPFZSA-N 2 0 410.965 3.644 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000535036057 1007075264 /nfs/dbraw/zinc/07/52/64/1007075264.db2.gz JRRNIIFFYPLTHX-RTWAWAEBSA-N 2 0 406.574 3.728 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000535045495 1007079946 /nfs/dbraw/zinc/07/99/46/1007079946.db2.gz TVHXJQZKVZXZQC-UHFFFAOYSA-N 2 0 413.610 3.523 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000538875319 1007154728 /nfs/dbraw/zinc/15/47/28/1007154728.db2.gz ATAWYVZVYXXCOM-GBXCKJPGSA-N 2 0 415.626 3.840 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579002 1007165520 /nfs/dbraw/zinc/16/55/20/1007165520.db2.gz FLKUGAYFPLNOKE-DVECYGJZSA-N 2 0 424.564 3.925 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1)CC1CC1 ZINC000538909629 1007193260 /nfs/dbraw/zinc/19/32/60/1007193260.db2.gz XABQHAYLYLSXBO-HSZRJFAPSA-N 2 0 418.601 3.972 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1)CC1CC1 ZINC000538914110 1007197985 /nfs/dbraw/zinc/19/79/85/1007197985.db2.gz USKZQTJGQRSCHU-JOCHJYFZSA-N 2 0 416.610 3.960 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181587 1007227445 /nfs/dbraw/zinc/22/74/45/1007227445.db2.gz MLRHASKSTYBFRI-HYBUGGRVSA-N 2 0 412.622 3.934 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538967305 1007257699 /nfs/dbraw/zinc/25/76/99/1007257699.db2.gz DPVHQGNRXRJCSL-UHFFFAOYSA-N 2 0 401.624 3.747 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000538982566 1007276253 /nfs/dbraw/zinc/27/62/53/1007276253.db2.gz XZCRLJPTGOJPAM-OAQYLSRUSA-N 2 0 415.969 3.554 20 0 HHADRP C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000539031880 1007328476 /nfs/dbraw/zinc/32/84/76/1007328476.db2.gz UHRXEJSVPSYTCG-NRFANRHFSA-N 2 0 420.601 3.757 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000539074710 1007366470 /nfs/dbraw/zinc/36/64/70/1007366470.db2.gz ZUWQZOBNPIMBDD-JOCHJYFZSA-N 2 0 411.521 3.655 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535341894 1007395324 /nfs/dbraw/zinc/39/53/24/1007395324.db2.gz XMJFVLMSQSXGQZ-DNQXCXABSA-N 2 0 424.589 3.652 20 0 HHADRP COC(=O)c1oc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250042 1007542114 /nfs/dbraw/zinc/54/21/14/1007542114.db2.gz UWVPWCVDKZUYBT-SFHVURJKSA-N 2 0 405.583 3.564 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000535508657 1007564159 /nfs/dbraw/zinc/56/41/59/1007564159.db2.gz RRBKQBQDPXOMSR-KDOFPFPSSA-N 2 0 401.776 3.916 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533282351 1007595546 /nfs/dbraw/zinc/59/55/46/1007595546.db2.gz MRLFHVVBEYGLFV-OAQYLSRUSA-N 2 0 422.573 3.519 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000539306581 1007604597 /nfs/dbraw/zinc/60/45/97/1007604597.db2.gz KFOXAGLZDFNUHO-HNAYVOBHSA-N 2 0 412.441 3.849 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000539310641 1007609334 /nfs/dbraw/zinc/60/93/34/1007609334.db2.gz GPJFESPVPLKYHU-SJORKVTESA-N 2 0 416.516 3.785 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000539317899 1007617100 /nfs/dbraw/zinc/61/71/00/1007617100.db2.gz GXEVPMHYBWWTJA-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654034 1007665556 /nfs/dbraw/zinc/66/55/56/1007665556.db2.gz DPUXVXZWEOHEKY-MMOPVJDHSA-N 2 0 424.992 3.893 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000517487072 1007711986 /nfs/dbraw/zinc/71/19/86/1007711986.db2.gz AIZUJNBJGREWEZ-SFHVURJKSA-N 2 0 422.548 3.670 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)[NH+]2CCCC2)cc1 ZINC000535684422 1007715747 /nfs/dbraw/zinc/71/57/47/1007715747.db2.gz ZZFHFRPHDURIDX-HSZRJFAPSA-N 2 0 412.553 3.832 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000517497510 1007720105 /nfs/dbraw/zinc/72/01/05/1007720105.db2.gz BHJDFPWOBZQSKR-LOSJGSFVSA-N 2 0 414.553 3.667 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700514 1007737322 /nfs/dbraw/zinc/73/73/22/1007737322.db2.gz NAZBWOMAJNEIKU-XLIONFOSSA-N 2 0 424.992 3.988 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535703409 1007741064 /nfs/dbraw/zinc/74/10/64/1007741064.db2.gz ZMBHMIIQHATOPI-YLJYHZDGSA-N 2 0 410.965 3.647 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000533458284 1007770131 /nfs/dbraw/zinc/77/01/31/1007770131.db2.gz KTZYLQGWSHYDEM-YYWHXJBOSA-N 2 0 407.002 3.849 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000517574808 1007779352 /nfs/dbraw/zinc/77/93/52/1007779352.db2.gz WLJHMTVDVDBYAK-NRFANRHFSA-N 2 0 402.583 3.793 20 0 HHADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000539498514 1007809636 /nfs/dbraw/zinc/80/96/36/1007809636.db2.gz KILHDQXEKOXGEF-OALUTQOASA-N 2 0 400.380 3.901 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942103 1007974117 /nfs/dbraw/zinc/97/41/17/1007974117.db2.gz FTTBULVVPPTDIE-YKSBVNFPSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535943019 1007975937 /nfs/dbraw/zinc/97/59/37/1007975937.db2.gz JGWCXSQBEAQTLD-GBXCKJPGSA-N 2 0 412.622 3.934 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884298 1008028336 /nfs/dbraw/zinc/02/83/36/1008028336.db2.gz NVNBHBXJHNEJAY-OFNKIYASSA-N 2 0 416.610 3.642 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C2)CC1 ZINC000533773869 1008099062 /nfs/dbraw/zinc/09/90/62/1008099062.db2.gz UXHIWZVXJKEPHM-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP CCN(CC)c1ncc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000539823533 1008117292 /nfs/dbraw/zinc/11/72/92/1008117292.db2.gz KRRHEGPSFUQITI-UHFFFAOYSA-N 2 0 407.672 3.617 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000533808559 1008127089 /nfs/dbraw/zinc/12/70/89/1008127089.db2.gz BBXZQSBQODFDGG-DEOSSOPVSA-N 2 0 408.590 3.645 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000533813591 1008129887 /nfs/dbraw/zinc/12/98/87/1008129887.db2.gz RRZGHWTZPGMYSV-GBXCKJPGSA-N 2 0 408.590 3.684 20 0 HHADRP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000539946198 1008199205 /nfs/dbraw/zinc/19/92/05/1008199205.db2.gz JEAVJMHWGANVSN-NRFANRHFSA-N 2 0 423.605 3.850 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(Cn3cccn3)c2)CC1 ZINC000539951449 1008202303 /nfs/dbraw/zinc/20/23/03/1008202303.db2.gz PHDVVVIPOWKAEO-UHFFFAOYSA-N 2 0 409.965 3.626 20 0 HHADRP COC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000518264055 1008232639 /nfs/dbraw/zinc/23/26/39/1008232639.db2.gz FNKCMMIKONKGCX-QFIPXVFZSA-N 2 0 415.965 3.643 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000540013170 1008236706 /nfs/dbraw/zinc/23/67/06/1008236706.db2.gz HEUYXGCDKCDHCW-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000540055553 1008262554 /nfs/dbraw/zinc/26/25/54/1008262554.db2.gz CGUMSNOJESVXNE-DEOSSOPVSA-N 2 0 423.605 3.550 20 0 HHADRP C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540141169 1008309078 /nfs/dbraw/zinc/30/90/78/1008309078.db2.gz FMOPESVURHEJNR-FOIQADDNSA-N 2 0 407.352 3.774 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000540166347 1008319049 /nfs/dbraw/zinc/31/90/49/1008319049.db2.gz BSIAYKVNKGJMAY-LPHOPBHVSA-N 2 0 406.958 3.659 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175106 1008323087 /nfs/dbraw/zinc/32/30/87/1008323087.db2.gz HGYWVWXYLVSIRN-JXFKEZNVSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540182323 1008326395 /nfs/dbraw/zinc/32/63/95/1008326395.db2.gz AGWMGOHEGJOONL-HRAATJIYSA-N 2 0 401.938 3.737 20 0 HHADRP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC(C)C ZINC000540197064 1008332244 /nfs/dbraw/zinc/33/22/44/1008332244.db2.gz CTJSYSLQGDYKIP-UHFFFAOYSA-N 2 0 404.986 3.928 20 0 HHADRP C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321551 1008378953 /nfs/dbraw/zinc/37/89/53/1008378953.db2.gz UVFPQQZPUNOJJY-MSOLQXFVSA-N 2 0 401.576 3.648 20 0 HHADRP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540494139 1008454187 /nfs/dbraw/zinc/45/41/87/1008454187.db2.gz QAFLKYLYLNLBDV-TZIWHRDSSA-N 2 0 407.558 3.852 20 0 HHADRP CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476166 1008581969 /nfs/dbraw/zinc/58/19/69/1008581969.db2.gz MFRGMLAMJFLVLD-DEOSSOPVSA-N 2 0 423.626 3.972 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190679 1008763505 /nfs/dbraw/zinc/76/35/05/1008763505.db2.gz UYSSWIRDEBVDFZ-RSXGOPAZSA-N 2 0 421.585 3.826 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000549226973 1008797276 /nfs/dbraw/zinc/79/72/76/1008797276.db2.gz AJBCLJRJNJDTKU-LDVJMBRRSA-N 2 0 400.563 3.526 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460034 1009044129 /nfs/dbraw/zinc/04/41/29/1009044129.db2.gz GHVSZNLYWPTAIO-DAYGRLMNSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045418 /nfs/dbraw/zinc/04/54/18/1009045418.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 3 0 404.687 3.862 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549582906 1009209447 /nfs/dbraw/zinc/20/94/47/1009209447.db2.gz CLZZXDCRORGMSJ-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000543765819 1009336225 /nfs/dbraw/zinc/33/62/25/1009336225.db2.gz OTKCHXMBQMELGZ-RUZDIDTESA-N 2 0 417.553 3.907 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000520205960 1009340782 /nfs/dbraw/zinc/34/07/82/1009340782.db2.gz KYGCNYBLZVKFSC-NHCUHLMSSA-N 2 0 401.595 3.536 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000549711925 1009342149 /nfs/dbraw/zinc/34/21/49/1009342149.db2.gz 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C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000521685867 1010549590 /nfs/dbraw/zinc/54/95/90/1010549590.db2.gz FQTNAVJWYONOOP-UHFFFAOYSA-N 2 0 410.553 3.693 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000548410210 1010617932 /nfs/dbraw/zinc/61/79/32/1010617932.db2.gz UAGHBWFRYKKEGS-OYRHEFFESA-N 2 0 421.585 3.822 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848924 1010657776 /nfs/dbraw/zinc/65/77/76/1010657776.db2.gz BAYUBJBPBUHAIA-ZCNNSNEGSA-N 2 0 405.546 3.727 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000551570490 1010668984 /nfs/dbraw/zinc/66/89/84/1010668984.db2.gz FLKXRZOCWYKJPX-GOSISDBHSA-N 2 0 411.546 3.675 20 0 HHADRP C[N@H+](CCC(=O)Nc1ccnn1[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714066 /nfs/dbraw/zinc/71/40/66/1010714066.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 2 0 409.578 3.923 20 0 HHADRP 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Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277651 1010900690 /nfs/dbraw/zinc/90/06/90/1010900690.db2.gz SHUHSXYKKXLZPX-YADHBBJMSA-N 2 0 410.562 3.689 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000522278938 1010902275 /nfs/dbraw/zinc/90/22/75/1010902275.db2.gz DJSKLSAFLBZEEN-IBGZPJMESA-N 2 0 422.573 3.772 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000522393609 1010977692 /nfs/dbraw/zinc/97/76/92/1010977692.db2.gz SRKVRFZEQOGPTL-UHFFFAOYSA-N 2 0 400.542 3.729 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000522446745 1011017612 /nfs/dbraw/zinc/01/76/12/1011017612.db2.gz KGCGXTBGBGYIOX-HSZRJFAPSA-N 2 0 412.553 3.832 20 0 HHADRP CCc1ccc(CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000522726522 1011180071 /nfs/dbraw/zinc/18/00/71/1011180071.db2.gz NUKYUNCOHOIWMD-UHFFFAOYSA-N 2 0 421.589 3.530 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265225 /nfs/dbraw/zinc/26/52/25/1011265225.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 2 0 420.601 3.842 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919307 1011586762 /nfs/dbraw/zinc/58/67/62/1011586762.db2.gz VRLHYACCAGWFNP-WMQCIHAUSA-N 2 0 404.986 3.603 20 0 HHADRP CN(CCC[NH+]1CCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000540979127 1011611876 /nfs/dbraw/zinc/61/18/76/1011611876.db2.gz YRUZNLYVMUQPEY-UHFFFAOYSA-N 2 0 407.002 3.679 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460389 1011680768 /nfs/dbraw/zinc/68/07/68/1011680768.db2.gz UKCABBKABKXALC-URLQWDBASA-N 2 0 412.981 3.747 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536488191 1011700514 /nfs/dbraw/zinc/70/05/14/1011700514.db2.gz LRZVWLJVXSNJAY-DEOSSOPVSA-N 2 0 424.585 3.561 20 0 HHADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536488197 1011700950 /nfs/dbraw/zinc/70/09/50/1011700950.db2.gz LRZVWLJVXSNJAY-XMMPIXPASA-N 2 0 424.585 3.561 20 0 HHADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536488180 1011701049 /nfs/dbraw/zinc/70/10/49/1011701049.db2.gz LZBMXYQDTGQCDQ-OAQYLSRUSA-N 2 0 421.585 3.688 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[NH+]2CC)c1 ZINC000523221962 1011710491 /nfs/dbraw/zinc/71/04/91/1011710491.db2.gz GEXLTGZZVDRWJU-XMMPIXPASA-N 2 0 423.605 3.729 20 0 HHADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)n1C1CCCCC1 ZINC000523310828 1011787618 /nfs/dbraw/zinc/78/76/18/1011787618.db2.gz FHLKZZQDGAZNIF-UHFFFAOYSA-N 2 0 423.605 3.947 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc([C@@H]4CCCO4)s3)CC2)CC1 ZINC000536666317 1011817654 /nfs/dbraw/zinc/81/76/54/1011817654.db2.gz MXIDQXWKFXBEDX-NRFANRHFSA-N 2 0 406.640 3.623 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000541209876 1011879723 /nfs/dbraw/zinc/87/97/23/1011879723.db2.gz UIUQYKAJCBOASL-QGZVFWFLSA-N 2 0 408.546 3.604 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000541215350 1011886483 /nfs/dbraw/zinc/88/64/83/1011886483.db2.gz WVQANJYJJVHKQM-QGZVFWFLSA-N 2 0 403.567 3.665 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000536724882 1011895732 /nfs/dbraw/zinc/89/57/32/1011895732.db2.gz UZDJYQXEPAYRCV-QHCPKHFHSA-N 2 0 410.537 3.955 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223511 1011897237 /nfs/dbraw/zinc/89/72/37/1011897237.db2.gz KJPMEQZTOIYWLQ-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000523450199 1011949891 /nfs/dbraw/zinc/94/98/91/1011949891.db2.gz LUJWZKFLCREMEX-MRXNPFEDSA-N 2 0 412.347 3.867 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839689 1012069307 /nfs/dbraw/zinc/06/93/07/1012069307.db2.gz OGNDYRZBONWNCD-JFJYTDJESA-N 2 0 415.965 3.903 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839937 1012069643 /nfs/dbraw/zinc/06/96/43/1012069643.db2.gz QUOQWBFKILQIPU-NJYVYQBISA-N 2 0 411.590 3.942 20 0 HHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855974 1012088425 /nfs/dbraw/zinc/08/84/25/1012088425.db2.gz DAAWMXWAPNAVGM-XHSDSOJGSA-N 2 0 416.347 3.831 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536858367 1012092190 /nfs/dbraw/zinc/09/21/90/1012092190.db2.gz OTMPHJOYPXWZME-NRFANRHFSA-N 2 0 415.965 3.943 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552096648 1012112429 /nfs/dbraw/zinc/11/24/29/1012112429.db2.gz HIBYJRDIWZPZCE-MRXNPFEDSA-N 2 0 418.969 3.564 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876586 1012120994 /nfs/dbraw/zinc/12/09/94/1012120994.db2.gz OJVMHXZGABHPLC-REWPJTCUSA-N 2 0 401.595 3.539 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000541476764 1012246847 /nfs/dbraw/zinc/24/68/47/1012246847.db2.gz JONCVIFEQUYBPJ-CDNPAEQRSA-N 2 0 414.594 3.537 20 0 HHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552275170 1012289130 /nfs/dbraw/zinc/28/91/30/1012289130.db2.gz NBEJUNJHHFQMIJ-SFHVURJKSA-N 2 0 415.528 3.901 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000537000789 1012302318 /nfs/dbraw/zinc/30/23/18/1012302318.db2.gz SBDPHEUNTPYQNO-INIZCTEOSA-N 2 0 421.994 3.550 20 0 HHADRP C[C@H](CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 ZINC000541521961 1012303239 /nfs/dbraw/zinc/30/32/39/1012303239.db2.gz JNGQWFQOZHOUQP-HXUWFJFHSA-N 2 0 401.599 3.594 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000541534358 1012317993 /nfs/dbraw/zinc/31/79/93/1012317993.db2.gz NOLRQDSWWUNVRM-HXUWFJFHSA-N 2 0 418.545 3.918 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000552309935 1012320797 /nfs/dbraw/zinc/32/07/97/1012320797.db2.gz BBUAGTZQPZHQJT-PKTZIBPZSA-N 2 0 416.610 3.642 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000552434301 1012453696 /nfs/dbraw/zinc/45/36/96/1012453696.db2.gz IOPBZVKEVFELOG-VWLOTQADSA-N 2 0 421.585 3.831 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOc2ccccc2OC)CC1 ZINC000537109321 1012482549 /nfs/dbraw/zinc/48/25/49/1012482549.db2.gz IFIBSOQRBYODEJ-GOSISDBHSA-N 2 0 401.526 3.706 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCCc3ccccc3Br)CC2)CC1 ZINC000541664276 1012493551 /nfs/dbraw/zinc/49/35/51/1012493551.db2.gz FMPIWBMOVAMDPF-UHFFFAOYSA-N 2 0 408.428 3.731 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000541665815 1012494346 /nfs/dbraw/zinc/49/43/46/1012494346.db2.gz IHTYVSRTWAMYDX-UHFFFAOYSA-N 2 0 402.970 3.845 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523832690 1012520225 /nfs/dbraw/zinc/52/02/25/1012520225.db2.gz IAJZQBDTLXXEIE-NZQKXSOJSA-N 2 0 406.574 3.635 20 0 HHADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745290 1012603030 /nfs/dbraw/zinc/60/30/30/1012603030.db2.gz YNKREKLRMWCZKL-XZOQPEGZSA-N 2 0 400.588 3.931 20 0 HHADRP Cc1c(C)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000552610784 1012613394 /nfs/dbraw/zinc/61/33/94/1012613394.db2.gz YEMBHEVRYDUFNX-USTZCAOPSA-N 2 0 414.594 3.926 20 0 HHADRP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000537225874 1012654815 /nfs/dbraw/zinc/65/48/15/1012654815.db2.gz SEKJVJUOWYDXDE-QFIPXVFZSA-N 2 0 414.619 3.682 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+]2CCCC2)o1 ZINC000523939430 1012672865 /nfs/dbraw/zinc/67/28/65/1012672865.db2.gz NBGHJQQWSXXRCZ-OAQYLSRUSA-N 2 0 416.541 3.637 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000523939705 1012673198 /nfs/dbraw/zinc/67/31/98/1012673198.db2.gz YLLPTLDKKSOIBI-YADHBBJMSA-N 2 0 410.562 3.861 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000523942253 1012676635 /nfs/dbraw/zinc/67/66/35/1012676635.db2.gz BGDRKEXOMPIRFC-QHCPKHFHSA-N 2 0 424.589 3.572 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000541821434 1012708239 /nfs/dbraw/zinc/70/82/39/1012708239.db2.gz ZMTFXYJNNITPHP-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915890 1012772958 /nfs/dbraw/zinc/77/29/58/1012772958.db2.gz FCPHYROYVWQFFE-KOSHJBKYSA-N 2 0 422.573 3.778 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915889 1012773185 /nfs/dbraw/zinc/77/31/85/1012773185.db2.gz FCPHYROYVWQFFE-HOYKHHGWSA-N 2 0 422.573 3.778 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000552781437 1012786441 /nfs/dbraw/zinc/78/64/41/1012786441.db2.gz FDBZDKJOAYBKBL-DEOSSOPVSA-N 2 0 409.574 3.859 20 0 HHADRP OC[C@H]([NH2+]Cc1ccccc1C[NH2+][C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000541955828 1012820448 /nfs/dbraw/zinc/82/04/48/1012820448.db2.gz AJQXFGIZVORBHG-PSWAGMNNSA-N 2 0 412.480 3.611 20 0 HHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900008 1012900997 /nfs/dbraw/zinc/90/09/97/1012900997.db2.gz YBKVRDISSNJHFG-ZCNNSNEGSA-N 2 0 422.635 3.943 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135678 1012919548 /nfs/dbraw/zinc/91/95/48/1012919548.db2.gz NXWIYMGSSHLPSO-MQSCRBSSSA-N 2 0 400.611 3.801 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000524142089 1012926876 /nfs/dbraw/zinc/92/68/76/1012926876.db2.gz FVWYUHJERORLAZ-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000524169626 1012963608 /nfs/dbraw/zinc/96/36/08/1012963608.db2.gz YXWCVACVEDMDOY-UHFFFAOYSA-N 2 0 408.590 3.802 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000524193472 1012999249 /nfs/dbraw/zinc/99/92/49/1012999249.db2.gz UIDAIGTWDSNYJF-HXUWFJFHSA-N 2 0 406.574 3.570 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816608 1072063459 /nfs/dbraw/zinc/06/34/59/1072063459.db2.gz DMKXIGPEUFYZCC-SPEDKVCISA-N 2 0 419.013 3.676 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=S)NCC3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000760475904 1072384853 /nfs/dbraw/zinc/38/48/53/1072384853.db2.gz MKSVVPCLPURQMO-UHFFFAOYSA-N 2 0 424.058 3.500 20 0 HHADRP Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168321583 1072501832 /nfs/dbraw/zinc/50/18/32/1072501832.db2.gz IJZWNCCXPYRWRB-UHFFFAOYSA-N 2 0 421.633 3.968 20 0 HHADRP Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+](C2CCC([NH+](C)C)CC2)CCO3)cs1 ZINC001168321692 1072502440 /nfs/dbraw/zinc/50/24/40/1072502440.db2.gz KJWPWZNXWXPUIH-FTWXPCQCSA-N 2 0 407.624 3.712 20 0 HHADRP CC(C)(C)OC(=O)N1CCC2(CC1)OCC[C@H]2CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353021 1072538363 /nfs/dbraw/zinc/53/83/63/1072538363.db2.gz HDLOLPRLVAVZDZ-HXUWFJFHSA-N 2 0 421.626 3.647 20 0 HHADRP CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168353521 1072539651 /nfs/dbraw/zinc/53/96/51/1072539651.db2.gz PQJFGDGRHRPEGI-HXUWFJFHSA-N 2 0 416.610 3.709 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000571341893 1072607049 /nfs/dbraw/zinc/60/70/49/1072607049.db2.gz KNUPEXPFHMRTPL-BJKOFHAPSA-N 2 0 418.585 3.587 20 0 HHADRP CNC(=O)N[C@@H]1CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2cc(C)ccc21 ZINC001168379620 1072683727 /nfs/dbraw/zinc/68/37/27/1072683727.db2.gz MUWZYTQDJCJCJQ-HSZRJFAPSA-N 2 0 410.606 3.577 20 0 HHADRP CSC1(CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[NH+](C)CC1 ZINC000571965060 1072957666 /nfs/dbraw/zinc/95/76/66/1072957666.db2.gz XRWLAIMHIIATCP-UHFFFAOYSA-N 2 0 418.651 3.910 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002694 1073051423 /nfs/dbraw/zinc/05/14/23/1073051423.db2.gz KWISOIVQFLCRQU-QNIAMRLHSA-N 2 0 412.574 3.640 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657059 1073105146 /nfs/dbraw/zinc/10/51/46/1073105146.db2.gz SILXNGFYVFWMAH-SFTDATJTSA-N 2 0 415.622 3.880 20 0 HHADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710727 1073157053 /nfs/dbraw/zinc/15/70/53/1073157053.db2.gz VJRIPXZXYBUSSA-FGZHOGPDSA-N 2 0 415.622 3.555 20 0 HHADRP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710731 1073157150 /nfs/dbraw/zinc/15/71/50/1073157150.db2.gz VJRIPXZXYBUSSA-SZPZYZBQSA-N 2 0 415.622 3.555 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555112903 1073167991 /nfs/dbraw/zinc/16/79/91/1073167991.db2.gz BICGWTKBWGJJEJ-QFIPXVFZSA-N 2 0 414.981 3.907 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153013 1073205760 /nfs/dbraw/zinc/20/57/60/1073205760.db2.gz JKYHEAVWNWBJQZ-PKTZIBPZSA-N 2 0 400.611 3.566 20 0 HHADRP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555709222 1073752077 /nfs/dbraw/zinc/75/20/77/1073752077.db2.gz PZRXAUFSXMUCJZ-ZACQAIPSSA-N 2 0 415.500 3.750 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1cccnc1 ZINC001168366713 1074089895 /nfs/dbraw/zinc/08/98/95/1074089895.db2.gz YZRPBVJNFOHNQA-IFMALSPDSA-N 2 0 414.594 3.844 20 0 HHADRP Brc1cccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168366744 1074092227 /nfs/dbraw/zinc/09/22/27/1074092227.db2.gz ZGWWACXHVGMKBS-UHFFFAOYSA-N 2 0 406.412 3.878 20 0 HHADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000591123973 1074139502 /nfs/dbraw/zinc/13/95/02/1074139502.db2.gz DYQMGGVPHNHUHB-UHFFFAOYSA-N 2 0 422.573 3.606 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1OC ZINC000591506682 1074330955 /nfs/dbraw/zinc/33/09/55/1074330955.db2.gz JGCIDORLDDJIHG-FQEVSTJZSA-N 2 0 418.582 3.508 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545359 1074381533 /nfs/dbraw/zinc/38/15/33/1074381533.db2.gz FZPNTZQLOZMDOS-GHTZIAJQSA-N 2 0 407.002 3.897 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000591560262 1074409306 /nfs/dbraw/zinc/40/93/06/1074409306.db2.gz YOQAIPMWIJUJKB-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591580923 1074424458 /nfs/dbraw/zinc/42/44/58/1074424458.db2.gz BPXBHVARWPCJPZ-WOJBJXKFSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000595438448 1075457662 /nfs/dbraw/zinc/45/76/62/1075457662.db2.gz NBGXEPFIYCYUSA-GOSISDBHSA-N 2 0 405.502 3.773 20 0 HHADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)CC2)cc1 ZINC001164759938 721047497 /nfs/dbraw/zinc/04/74/97/721047497.db2.gz RSNYSTHAVLMKTB-UHFFFAOYSA-N 2 0 405.590 3.663 20 0 HHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001165023422 721843486 /nfs/dbraw/zinc/84/34/86/721843486.db2.gz ZUQJLFMISPRJJD-UHFFFAOYSA-N 2 0 424.589 3.795 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000524244426 1013055384 /nfs/dbraw/zinc/05/53/84/1013055384.db2.gz ZRLLMRJXQKHAED-SJBKTWHCSA-N 2 0 401.595 3.885 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000303000329 971445762 /nfs/dbraw/zinc/44/57/62/971445762.db2.gz OCLCJESJAAAUAG-RUZDIDTESA-N 2 0 420.601 3.784 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189553 971550774 /nfs/dbraw/zinc/55/07/74/971550774.db2.gz ZVZCVMCAGRTEIN-QGZVFWFLSA-N 2 0 422.367 3.683 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303273837 971591896 /nfs/dbraw/zinc/59/18/96/971591896.db2.gz IDISNJLDXZWYAW-HXUWFJFHSA-N 2 0 404.624 3.620 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303338573 971640690 /nfs/dbraw/zinc/64/06/90/971640690.db2.gz YBNSQMYREIKABT-QFIPXVFZSA-N 2 0 416.610 3.567 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491482 971789636 /nfs/dbraw/zinc/78/96/36/971789636.db2.gz SFYRPTSGAWBIQZ-NFBKMPQASA-N 2 0 424.589 3.652 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000303724926 971978511 /nfs/dbraw/zinc/97/85/11/971978511.db2.gz SMMJHYSFLHGNTF-DEOSSOPVSA-N 2 0 408.590 3.641 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000542185557 1013125847 /nfs/dbraw/zinc/12/58/47/1013125847.db2.gz MBEKXMXJHFPETN-IPJJNNNSSA-N 2 0 423.557 3.691 20 0 HHADRP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000007340708 961136257 /nfs/dbraw/zinc/13/62/57/961136257.db2.gz WXCRFJMMVNLWDQ-NRFANRHFSA-N 2 0 406.574 3.679 20 0 HHADRP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279952 1013240337 /nfs/dbraw/zinc/24/03/37/1013240337.db2.gz GPFFQIDIBHXNBY-VQTJNVASSA-N 2 0 422.491 3.899 20 0 HHADRP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000553313443 1013266508 /nfs/dbraw/zinc/26/65/08/1013266508.db2.gz LZQCMGMDXFLJBH-HXUWFJFHSA-N 2 0 407.986 3.768 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2Cn2cccn2)CC1 ZINC000537750611 1013314204 /nfs/dbraw/zinc/31/42/04/1013314204.db2.gz XUQQBUKOSKPRSD-UHFFFAOYSA-N 2 0 409.965 3.626 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000537843423 1013405375 /nfs/dbraw/zinc/40/53/75/1013405375.db2.gz RHTBDDGLXPGAFF-UHFFFAOYSA-N 2 0 406.574 3.816 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000537843388 1013405609 /nfs/dbraw/zinc/40/56/09/1013405609.db2.gz PRJGTRJNMMRSEK-NRFANRHFSA-N 2 0 403.954 3.713 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887612 1013469270 /nfs/dbraw/zinc/46/92/70/1013469270.db2.gz MVVOQMILBUXSMV-FYYLOGMGSA-N 2 0 409.574 3.942 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000027352641 964859372 /nfs/dbraw/zinc/85/93/72/964859372.db2.gz CDGNSIPNSKMFKF-RUZDIDTESA-N 2 0 422.617 3.903 20 0 HHADRP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713844 964960070 /nfs/dbraw/zinc/96/00/70/964960070.db2.gz FZLYLTXMNDMRPD-NRFANRHFSA-N 2 0 417.557 3.812 20 0 HHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000537969206 1013546856 /nfs/dbraw/zinc/54/68/56/1013546856.db2.gz PQXJGBRWYSDUGE-VQTJNVASSA-N 2 0 409.574 3.803 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000537979304 1013555714 /nfs/dbraw/zinc/55/57/14/1013555714.db2.gz AMRQBCDTIVCDTR-YZZKKUAISA-N 2 0 411.546 3.645 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000054037565 965366501 /nfs/dbraw/zinc/36/65/01/965366501.db2.gz NYOMGEMIRMDLNA-RBUKOAKNSA-N 2 0 400.523 3.536 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000553743453 1013583899 /nfs/dbraw/zinc/58/38/99/1013583899.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 2 0 401.526 3.611 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718932 965621447 /nfs/dbraw/zinc/62/14/47/965621447.db2.gz UIPGEXGCRCZARZ-RDPSFJRHSA-N 2 0 406.574 3.917 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000030664306 965760980 /nfs/dbraw/zinc/76/09/80/965760980.db2.gz SVANYPJYUKGFLI-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)c(C)c2)CC1 ZINC000056562974 966375595 /nfs/dbraw/zinc/37/55/95/966375595.db2.gz UZVFBNPFYPTFMW-UHFFFAOYSA-N 2 0 415.626 3.723 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061159610 966384811 /nfs/dbraw/zinc/38/48/11/966384811.db2.gz FXEDVVIZQCZCNW-UHFFFAOYSA-N 2 0 402.627 3.657 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846057 966490805 /nfs/dbraw/zinc/49/08/05/966490805.db2.gz OPDDFPOPIMZESR-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000538098067 1013667970 /nfs/dbraw/zinc/66/79/70/1013667970.db2.gz AZQLEBNZNXAOHP-HSZRJFAPSA-N 2 0 409.530 3.977 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063113492 966756461 /nfs/dbraw/zinc/75/64/61/966756461.db2.gz CSSAWFHHTSISNF-UHFFFAOYSA-N 2 0 405.586 3.927 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063148959 966761701 /nfs/dbraw/zinc/76/17/01/966761701.db2.gz UFSPHZMROIADIS-OYRHEFFESA-N 2 0 416.679 3.873 20 0 HHADRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccc(Cl)cc2Cl)[n+]2ccccc2)CC1 ZINC000063441493 966858423 /nfs/dbraw/zinc/85/84/23/966858423.db2.gz WXYMAZWRHYDFNE-UHFFFAOYSA-O 2 0 423.389 3.904 20 0 HHADRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)CC1 ZINC000063441382 966858482 /nfs/dbraw/zinc/85/84/82/966858482.db2.gz JTDJWZQPZIPZPI-UHFFFAOYSA-O 2 0 410.607 3.894 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000542848114 1013707753 /nfs/dbraw/zinc/70/77/53/1013707753.db2.gz HQDFZAORUCPGBC-UQBPGWFLSA-N 2 0 404.558 3.988 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000542850543 1013709554 /nfs/dbraw/zinc/70/95/54/1013709554.db2.gz YXESRPITXBBMHA-CRAIPNDOSA-N 2 0 419.363 3.875 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000065104673 967377364 /nfs/dbraw/zinc/37/73/64/967377364.db2.gz JOYVOLSONZFNAQ-UHFFFAOYSA-N 2 0 420.601 3.715 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065458931 967476616 /nfs/dbraw/zinc/47/66/16/967476616.db2.gz OOWDRAAWLUUMGW-UHFFFAOYSA-N 2 0 416.585 3.698 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+](C)C)cc1 ZINC000065469943 967482279 /nfs/dbraw/zinc/48/22/79/967482279.db2.gz RFMCLUMTICSSOL-DEOSSOPVSA-N 2 0 408.590 3.870 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000065522701 967505202 /nfs/dbraw/zinc/50/52/02/967505202.db2.gz VAVPICYYZGUIMY-YKSBVNFPSA-N 2 0 406.574 3.570 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000065549799 967514429 /nfs/dbraw/zinc/51/44/29/967514429.db2.gz JRHLZDNAEMGEPQ-KNQAVFIVSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000045757761 967548369 /nfs/dbraw/zinc/54/83/69/967548369.db2.gz MPQRDXRIKNTOBX-HXUWFJFHSA-N 2 0 400.611 3.771 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211293 1013764573 /nfs/dbraw/zinc/76/45/73/1013764573.db2.gz SWABPWOOGCRIGA-UUOWRZLLSA-N 2 0 424.564 3.638 20 0 HHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000554071683 1013784920 /nfs/dbraw/zinc/78/49/20/1013784920.db2.gz MHKBNQAJLGIIAS-ICSRJNTNSA-N 2 0 400.485 3.757 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c(C)c2)CC1 ZINC000048055965 968401548 /nfs/dbraw/zinc/40/15/48/968401548.db2.gz WTKPLCFWOORQII-UHFFFAOYSA-N 2 0 415.626 3.721 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065937401 968726557 /nfs/dbraw/zinc/72/65/57/968726557.db2.gz LTMIQCTZKVHJHT-UHFFFAOYSA-N 2 0 415.528 3.767 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065985704 968750454 /nfs/dbraw/zinc/75/04/54/968750454.db2.gz HBCPHCNCDGCKQS-UHFFFAOYSA-N 2 0 412.622 3.995 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000071923257 968889107 /nfs/dbraw/zinc/88/91/07/968889107.db2.gz NORWNGWKGLUMOS-AQNXPRMDSA-N 2 0 406.640 3.942 20 0 HHADRP Cn1ccc([C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(F)cc2)n1 ZINC000538306419 1013839236 /nfs/dbraw/zinc/83/92/36/1013839236.db2.gz RMTCOAPWUZBAEC-RUZDIDTESA-N 2 0 422.548 3.956 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554236974 1013866280 /nfs/dbraw/zinc/86/62/80/1013866280.db2.gz AGKCOVSRZUPWFG-LVCYWYKZSA-N 2 0 404.986 3.745 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000109406519 969513471 /nfs/dbraw/zinc/51/34/71/969513471.db2.gz DFZFEBPLBRPKIQ-UHFFFAOYSA-N 2 0 409.574 3.933 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109527926 969529077 /nfs/dbraw/zinc/52/90/77/969529077.db2.gz UQGWMEKZFDVZEE-HSZRJFAPSA-N 2 0 409.599 3.881 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000109562848 969533710 /nfs/dbraw/zinc/53/37/10/969533710.db2.gz ZUHRIOFBCWDMPL-VXKWHMMOSA-N 2 0 411.615 3.989 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000554279448 1013891035 /nfs/dbraw/zinc/89/10/35/1013891035.db2.gz LFFMYQQVKIWUFY-QVKFZJNVSA-N 2 0 419.928 3.876 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717038 /nfs/dbraw/zinc/71/70/38/969717038.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 2 0 409.574 3.605 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000110789180 969723928 /nfs/dbraw/zinc/72/39/28/969723928.db2.gz LDQCNLOFBHOWMC-UHFFFAOYSA-N 2 0 409.530 3.588 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000110991382 969755322 /nfs/dbraw/zinc/75/53/22/969755322.db2.gz KBIKHEQQTLYYAN-WOJBJXKFSA-N 2 0 409.574 3.990 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000195633515 969921483 /nfs/dbraw/zinc/92/14/83/969921483.db2.gz CXNKHQDXMPACCI-FQEVSTJZSA-N 2 0 406.574 3.699 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000195719214 969979378 /nfs/dbraw/zinc/97/93/78/969979378.db2.gz BYFQYIGDUPYKSE-IAGOWNOFSA-N 2 0 421.383 3.614 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000236630440 970149020 /nfs/dbraw/zinc/14/90/20/970149020.db2.gz XUDFFQJRQNPRFJ-IBGZPJMESA-N 2 0 404.986 3.976 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000236815946 970175549 /nfs/dbraw/zinc/17/55/49/970175549.db2.gz ONYRTDCRRRHYAC-UHFFFAOYSA-N 2 0 422.617 3.705 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236840127 970179442 /nfs/dbraw/zinc/17/94/42/970179442.db2.gz GWKFFWQHAATJGQ-FQEVSTJZSA-N 2 0 423.630 3.964 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000236849700 970180504 /nfs/dbraw/zinc/18/05/04/970180504.db2.gz FKCLIDOCQSFVEC-JOCHJYFZSA-N 2 0 417.601 3.963 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236940054 970190845 /nfs/dbraw/zinc/19/08/45/970190845.db2.gz DYYAQYVFPNCKFV-UHFFFAOYSA-N 2 0 418.029 3.709 20 0 HHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000236938116 970191240 /nfs/dbraw/zinc/19/12/40/970191240.db2.gz ZDQGEIZERUBRRV-LJQANCHMSA-N 2 0 423.399 3.698 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000236985051 970201296 /nfs/dbraw/zinc/20/12/96/970201296.db2.gz VXOXXWBNSCZTOH-KRWDZBQOSA-N 2 0 401.526 3.836 20 0 HHADRP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000237049226 970214300 /nfs/dbraw/zinc/21/43/00/970214300.db2.gz GNOLDFNZNBMIBD-UHFFFAOYSA-N 2 0 405.311 3.952 20 0 HHADRP Cc1cccn2c(C[NH2+]Cc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)cnc12 ZINC000237100152 970222375 /nfs/dbraw/zinc/22/23/75/970222375.db2.gz OYEZXMIPVODJTL-UHFFFAOYSA-N 2 0 417.479 3.703 20 0 HHADRP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000237103620 970222974 /nfs/dbraw/zinc/22/29/74/970222974.db2.gz JUDRIBYMABQNJZ-UHFFFAOYSA-N 2 0 417.601 3.829 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000145600878 970266338 /nfs/dbraw/zinc/26/63/38/970266338.db2.gz UFSPHZMROIADIS-SFTDATJTSA-N 2 0 416.679 3.873 20 0 HHADRP COc1ccccc1-c1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000237341008 970266550 /nfs/dbraw/zinc/26/65/50/970266550.db2.gz BIYKLDKANJCRMH-UHFFFAOYSA-N 2 0 417.553 3.943 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000237503106 970303537 /nfs/dbraw/zinc/30/35/37/970303537.db2.gz LCVLNOQOPYZIEH-IBGZPJMESA-N 2 0 423.992 3.918 20 0 HHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237588363 970318312 /nfs/dbraw/zinc/31/83/12/970318312.db2.gz NMHPALVSMGOJBT-HXUWFJFHSA-N 2 0 421.564 3.712 20 0 HHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000237665397 970334028 /nfs/dbraw/zinc/33/40/28/970334028.db2.gz DVORCYBATYZAAH-HXUWFJFHSA-N 2 0 421.564 3.712 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000237737445 970350082 /nfs/dbraw/zinc/35/00/82/970350082.db2.gz UFGFWTOMGAUZOZ-UHFFFAOYSA-N 2 0 423.454 3.960 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccccc3N3CCOCC3)CC2)c1 ZINC000237856002 970382056 /nfs/dbraw/zinc/38/20/56/970382056.db2.gz LALRJORPZVSRJD-UHFFFAOYSA-N 2 0 422.617 3.524 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000237934596 970398765 /nfs/dbraw/zinc/39/87/65/970398765.db2.gz XQBXMDCSLKEAOR-IBGZPJMESA-N 2 0 405.464 3.693 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000237978085 970408968 /nfs/dbraw/zinc/40/89/68/970408968.db2.gz VPMVHYQBEGALLR-GOSISDBHSA-N 2 0 424.408 3.899 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000247964619 970493822 /nfs/dbraw/zinc/49/38/22/970493822.db2.gz GBWSOIHPADMFII-SKPFHBQLSA-N 2 0 409.574 3.605 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000251598068 970547406 /nfs/dbraw/zinc/54/74/06/970547406.db2.gz BOLHKJKQBJYIJJ-PXDATVDWSA-N 2 0 421.585 3.578 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000410310706 973852878 /nfs/dbraw/zinc/85/28/78/973852878.db2.gz OKHOZASHGFLEOY-UHFFFAOYSA-N 2 0 424.589 3.593 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000410323440 973871982 /nfs/dbraw/zinc/87/19/82/973871982.db2.gz MWICUKCWZUQSSE-UHFFFAOYSA-N 2 0 400.611 3.913 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000410325551 973881859 /nfs/dbraw/zinc/88/18/59/973881859.db2.gz ZGQMVBXZTJBODS-BGYRXZFFSA-N 2 0 400.611 3.627 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)C1 ZINC000426012224 974130468 /nfs/dbraw/zinc/13/04/68/974130468.db2.gz CGHFYUATANJIIN-COPCDDAFSA-N 2 0 409.578 3.921 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038492 974161657 /nfs/dbraw/zinc/16/16/57/974161657.db2.gz ZGBGLGZJKYJVDL-QHCPKHFHSA-N 2 0 400.998 3.882 20 0 HHADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426795562 974666096 /nfs/dbraw/zinc/66/60/96/974666096.db2.gz XYLSJIMAARJIQT-GXRSIYKFSA-N 2 0 415.622 3.506 20 0 HHADRP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)CCS2 ZINC000427881331 975331451 /nfs/dbraw/zinc/33/14/51/975331451.db2.gz IDHHNLWNNNFVTC-VXKWHMMOSA-N 2 0 411.615 3.719 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428107972 975440493 /nfs/dbraw/zinc/44/04/93/975440493.db2.gz ORSJCFMKUGAIFK-FCEUIQTBSA-N 2 0 410.562 3.769 20 0 HHADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000428233812 975552906 /nfs/dbraw/zinc/55/29/06/975552906.db2.gz USPILPOFVBLRPK-DSNGMDLFSA-N 2 0 405.586 3.869 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283288 975596957 /nfs/dbraw/zinc/59/69/57/975596957.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 2 0 420.601 3.787 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532977 975828409 /nfs/dbraw/zinc/82/84/09/975828409.db2.gz HXFWAWOTIFXUOU-CPJSRVTESA-N 2 0 421.585 3.535 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000428683708 975975210 /nfs/dbraw/zinc/97/52/10/975975210.db2.gz GDGGXTLBUUTXHH-QDSKXPNFSA-N 2 0 408.590 3.950 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000428683707 975975348 /nfs/dbraw/zinc/97/53/48/975975348.db2.gz GDGGXTLBUUTXHH-OYDLWJJNSA-N 2 0 408.590 3.950 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000429063018 976349322 /nfs/dbraw/zinc/34/93/22/976349322.db2.gz VQABDQJVYOWGMA-UHFFFAOYSA-N 2 0 421.029 3.797 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068006 976354022 /nfs/dbraw/zinc/35/40/22/976354022.db2.gz BHTAPUNCWHYUDQ-NMMYMHLASA-N 2 0 421.589 3.742 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Br)c1 ZINC000429435322 976714523 /nfs/dbraw/zinc/71/45/23/976714523.db2.gz UCWQTZQAALOFLD-GOSISDBHSA-N 2 0 409.412 3.987 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(Br)cc1 ZINC000429441582 976719849 /nfs/dbraw/zinc/71/98/49/976719849.db2.gz DJZOBTQWIKNZJH-SFHVURJKSA-N 2 0 409.412 3.987 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(Br)cc1 ZINC000429441580 976720346 /nfs/dbraw/zinc/72/03/46/976720346.db2.gz DJZOBTQWIKNZJH-GOSISDBHSA-N 2 0 409.412 3.987 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498013 976755450 /nfs/dbraw/zinc/75/54/50/976755450.db2.gz ZCZIAAIBQLQDRO-JOCHJYFZSA-N 2 0 400.611 3.631 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000429500789 976756532 /nfs/dbraw/zinc/75/65/32/976756532.db2.gz GOQDTHNKSADEDN-NHCUHLMSSA-N 2 0 409.578 3.772 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000429500790 976756590 /nfs/dbraw/zinc/75/65/90/976756590.db2.gz GOQDTHNKSADEDN-RTWAWAEBSA-N 2 0 409.578 3.772 20 0 HHADRP CN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429686412 976980227 /nfs/dbraw/zinc/98/02/27/976980227.db2.gz ZHEDDDBKLKTPLN-SANMLTNESA-N 2 0 407.602 3.874 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000430755935 977731968 /nfs/dbraw/zinc/73/19/68/977731968.db2.gz JRRXTYBBAPJADR-UHFFFAOYSA-N 2 0 415.647 3.827 20 0 HHADRP COc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000430757611 977734525 /nfs/dbraw/zinc/73/45/25/977734525.db2.gz WUYCOZZFJOGKOF-WOJBJXKFSA-N 2 0 412.578 3.592 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430917072 977885776 /nfs/dbraw/zinc/88/57/76/977885776.db2.gz JCSQRBXXUWIYMY-SFHVURJKSA-N 2 0 421.029 3.795 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000431074116 978004626 /nfs/dbraw/zinc/00/46/26/978004626.db2.gz QATMBKKLVXUTBK-NZQKXSOJSA-N 2 0 415.626 3.769 20 0 HHADRP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431147002 978049067 /nfs/dbraw/zinc/04/90/67/978049067.db2.gz BLNRSSMYDZDSJX-UHFFFAOYSA-N 2 0 424.593 3.766 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C[NH+]1CCCCC1 ZINC000431278960 978164405 /nfs/dbraw/zinc/16/44/05/978164405.db2.gz CPTSKQWJKQIHFI-JOCHJYFZSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688901 978436806 /nfs/dbraw/zinc/43/68/06/978436806.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 2 0 406.574 3.613 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(c4cccc(Br)c4)C3)ccn2)CC1 ZINC000432408182 978799573 /nfs/dbraw/zinc/79/95/73/978799573.db2.gz ARGWCAONFPURRX-UHFFFAOYSA-N 2 0 415.379 3.632 20 0 HHADRP CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871652 978997179 /nfs/dbraw/zinc/99/71/79/978997179.db2.gz LWMHPONFWIZHBO-SIKLNZKXSA-N 2 0 415.603 3.594 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194301 979132682 /nfs/dbraw/zinc/13/26/82/979132682.db2.gz VTAVGYKLNHILDW-NRFANRHFSA-N 2 0 421.585 3.861 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000433892952 979656278 /nfs/dbraw/zinc/65/62/78/979656278.db2.gz IEALFNXOZSVOAQ-SFHVURJKSA-N 2 0 416.570 3.604 20 0 HHADRP C[NH+](C)CCN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCCC1 ZINC000436010077 981152139 /nfs/dbraw/zinc/15/21/39/981152139.db2.gz JCBMDFGLTXSCEQ-UHFFFAOYSA-N 2 0 404.624 3.616 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000448214272 981628535 /nfs/dbraw/zinc/62/85/35/981628535.db2.gz PUIODCCFIAEYHE-NRFANRHFSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000448217449 981631925 /nfs/dbraw/zinc/63/19/25/981631925.db2.gz MIJUZLYIJQGLLG-NRFANRHFSA-N 2 0 400.611 3.627 20 0 HHADRP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235347 981645009 /nfs/dbraw/zinc/64/50/09/981645009.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 0 417.623 3.856 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448460552 981794019 /nfs/dbraw/zinc/79/40/19/981794019.db2.gz CTSVCKMCWCSVPX-AABGKKOBSA-N 2 0 406.640 3.893 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000448462493 981796383 /nfs/dbraw/zinc/79/63/83/981796383.db2.gz UOCVMCQUEQTSMB-HXUWFJFHSA-N 2 0 421.029 3.972 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)C1 ZINC000448464801 981799064 /nfs/dbraw/zinc/79/90/64/981799064.db2.gz GBZSIBCAHYRBRP-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000448466218 981801088 /nfs/dbraw/zinc/80/10/88/981801088.db2.gz LRIOBSGGHHHGJM-JRFVFWCSSA-N 2 0 410.606 3.790 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000448467176 981803523 /nfs/dbraw/zinc/80/35/23/981803523.db2.gz PLJYOJUAHGTOGW-RPWUZVMVSA-N 2 0 414.638 3.908 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000448468210 981805834 /nfs/dbraw/zinc/80/58/34/981805834.db2.gz UQFIZKOPMBOCRY-SVFBPWRDSA-N 2 0 406.640 3.798 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448468583 981807053 /nfs/dbraw/zinc/80/70/53/981807053.db2.gz VIJZZKXPQPGEFO-VWNXMTODSA-N 2 0 410.606 3.831 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468723 981807285 /nfs/dbraw/zinc/80/72/85/981807285.db2.gz WGZVCPJFWVKEAG-JTAQYXEDSA-N 2 0 400.611 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469706 981808946 /nfs/dbraw/zinc/80/89/46/981808946.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000448521129 981849298 /nfs/dbraw/zinc/84/92/98/981849298.db2.gz NDXLWKGTFKTNFZ-HIUFNZKISA-N 2 0 400.611 3.515 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460168607 981940415 /nfs/dbraw/zinc/94/04/15/981940415.db2.gz JFWARCDXLPDZBQ-JRFVFWCSSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000437489025 982116341 /nfs/dbraw/zinc/11/63/41/982116341.db2.gz FTDQKQVVQVOSIT-OAQYLSRUSA-N 2 0 423.626 3.972 20 0 HHADRP CSC1(CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000460359539 982134069 /nfs/dbraw/zinc/13/40/69/982134069.db2.gz CAJBGYOKEJSELU-TZIWHRDSSA-N 2 0 420.667 3.879 20 0 HHADRP C[C@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437741502 982331029 /nfs/dbraw/zinc/33/10/29/982331029.db2.gz BVUIMTHAVKQMFE-FQEVSTJZSA-N 2 0 410.562 3.755 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000438060172 982561118 /nfs/dbraw/zinc/56/11/18/982561118.db2.gz PNQQSGUAHZTVFG-OAQYLSRUSA-N 2 0 402.583 3.793 20 0 HHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000438185806 982638909 /nfs/dbraw/zinc/63/89/09/982638909.db2.gz FEUIVFPTYBCZJR-FBILRYNDSA-N 2 0 405.586 3.984 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000438306996 982713442 /nfs/dbraw/zinc/71/34/42/982713442.db2.gz SYCBGQODTNSNPL-QHCPKHFHSA-N 2 0 415.626 3.803 20 0 HHADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096865 /nfs/dbraw/zinc/09/68/65/983096865.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 2 0 403.570 3.632 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842786 983110485 /nfs/dbraw/zinc/11/04/85/983110485.db2.gz SVJDIPHVPHNQKO-GBXCKJPGSA-N 2 0 421.589 3.571 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)CC(C)C ZINC000438857664 983123656 /nfs/dbraw/zinc/12/36/56/983123656.db2.gz AFOZCAWDSFXLHL-DENIHFKCSA-N 2 0 403.615 3.663 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974873 983189421 /nfs/dbraw/zinc/18/94/21/983189421.db2.gz PQHPOOUCGKVHHK-GBXCKJPGSA-N 2 0 423.605 3.989 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439076170 983238682 /nfs/dbraw/zinc/23/86/82/983238682.db2.gz HJRPEKCACMWLKE-LJQANCHMSA-N 2 0 424.589 3.642 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3OC)cc2)CC1 ZINC000439076118 983238814 /nfs/dbraw/zinc/23/88/14/983238814.db2.gz HBOXBOLFCLVSEI-LJQANCHMSA-N 2 0 424.589 3.642 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000439334108 983369763 /nfs/dbraw/zinc/36/97/63/983369763.db2.gz WYQHIUMCQJTBTL-UHFFFAOYSA-N 2 0 422.411 3.618 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000439728753 983517011 /nfs/dbraw/zinc/51/70/11/983517011.db2.gz DSSQHFZCPCROJN-HXUWFJFHSA-N 2 0 406.574 3.635 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441181678 984104236 /nfs/dbraw/zinc/10/42/36/984104236.db2.gz IAVYAFKCZYPKAL-FQEVSTJZSA-N 2 0 409.521 3.837 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000441254070 984140911 /nfs/dbraw/zinc/14/09/11/984140911.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 2 0 415.626 3.599 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270453 984150600 /nfs/dbraw/zinc/15/06/00/984150600.db2.gz UIPYMHSULWZRKJ-UCFCWBNQSA-N 2 0 423.557 3.991 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630222 984364140 /nfs/dbraw/zinc/36/41/40/984364140.db2.gz XULSZRPVAFZLKK-LLZJGCNPSA-N 2 0 408.586 3.895 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000442240900 984762036 /nfs/dbraw/zinc/76/20/36/984762036.db2.gz JAVDEKPFVKZHFZ-OZRWQMGGSA-N 2 0 400.611 3.801 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442242288 984763693 /nfs/dbraw/zinc/76/36/93/984763693.db2.gz MZEXKYDCRLWFRX-CDNGDFIJSA-N 2 0 400.611 3.563 20 0 HHADRP COCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114859 985085245 /nfs/dbraw/zinc/08/52/45/985085245.db2.gz YJTDARXPPBEYCY-RXVVDRJESA-N 2 0 413.528 3.789 20 0 HHADRP Cc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000462488028 985441840 /nfs/dbraw/zinc/44/18/40/985441840.db2.gz HCBFAVQGJUGXET-NRFANRHFSA-N 2 0 402.542 3.583 20 0 HHADRP Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467923961 985557111 /nfs/dbraw/zinc/55/71/11/985557111.db2.gz DTSDRGBQQAUVDE-NRFANRHFSA-N 2 0 410.562 3.579 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462750248 985690741 /nfs/dbraw/zinc/69/07/41/985690741.db2.gz NHGGMWBWICJQCO-DEOSSOPVSA-N 2 0 412.622 3.806 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468040919 985697773 /nfs/dbraw/zinc/69/77/73/985697773.db2.gz XMKVKRBXMQNCIT-UHFFFAOYSA-N 2 0 400.526 3.889 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634764 985815140 /nfs/dbraw/zinc/81/51/40/985815140.db2.gz SRCGFKJHYNDGLX-DYESRHJHSA-N 2 0 407.002 3.534 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000443646002 985837677 /nfs/dbraw/zinc/83/76/77/985837677.db2.gz CLJXEMCHVPQDHU-NTKDMRAZSA-N 2 0 408.590 3.897 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966286 985911881 /nfs/dbraw/zinc/91/18/81/985911881.db2.gz NIANAZASCHCMLM-WQANXHIZSA-N 2 0 411.384 3.734 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463026162 985984791 /nfs/dbraw/zinc/98/47/91/985984791.db2.gz ZKVPVZMHGDKVRS-FQEVSTJZSA-N 2 0 411.594 3.907 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468425657 986124387 /nfs/dbraw/zinc/12/43/87/986124387.db2.gz AMPGADYPSLOOGJ-AUSIDOKSSA-N 2 0 409.574 3.503 20 0 HHADRP C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468509180 986209926 /nfs/dbraw/zinc/20/99/26/986209926.db2.gz BDXQTQINBAMBBA-XZOQPEGZSA-N 2 0 411.977 3.766 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000444035239 986232127 /nfs/dbraw/zinc/23/21/27/986232127.db2.gz JCNBBZQLUPMVQO-IEBWSBKVSA-N 2 0 422.017 3.818 20 0 HHADRP C[NH+]1CCC(CC[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463289455 986256197 /nfs/dbraw/zinc/25/61/97/986256197.db2.gz GGWAWVAHJUFMJL-UHFFFAOYSA-N 2 0 405.178 3.615 20 0 HHADRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000444136898 986326470 /nfs/dbraw/zinc/32/64/70/986326470.db2.gz YWOJZDYIAMCSCQ-SFHVURJKSA-N 2 0 405.546 3.537 20 0 HHADRP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447633 986427453 /nfs/dbraw/zinc/42/74/53/986427453.db2.gz ZQVGRUYCIZJGGB-WOJBJXKFSA-N 2 0 411.384 3.671 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000468717097 986431203 /nfs/dbraw/zinc/43/12/03/986431203.db2.gz MSKBCTSZRLPTKC-UHFFFAOYSA-N 2 0 412.537 3.910 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC(c2ccccc2)CC1 ZINC000463620865 986597049 /nfs/dbraw/zinc/59/70/49/986597049.db2.gz CDQIYIOBBMDWPU-UHFFFAOYSA-N 2 0 406.574 3.684 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000444553832 986744811 /nfs/dbraw/zinc/74/48/11/986744811.db2.gz VXDNMGMZJIDUEV-XMMPIXPASA-N 2 0 409.574 3.913 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)NCc1ccc(Cl)s1 ZINC000469785839 987431511 /nfs/dbraw/zinc/43/15/11/987431511.db2.gz FUYZYAXSDSUDNM-HOTGVXAUSA-N 2 0 405.995 3.764 20 0 HHADRP CC(C)c1nc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000469787596 987432748 /nfs/dbraw/zinc/43/27/48/987432748.db2.gz QATWPUDFXUZPPW-QGZVFWFLSA-N 2 0 400.592 3.943 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000463965852 988078564 /nfs/dbraw/zinc/07/85/64/988078564.db2.gz BFDHCIPLMXUFGQ-PMACEKPBSA-N 2 0 400.592 3.514 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000470167871 988082136 /nfs/dbraw/zinc/08/21/36/988082136.db2.gz FNUBOIOGCCRSGR-IPQPSQTFSA-N 2 0 412.500 3.623 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccs1 ZINC000463972356 988084872 /nfs/dbraw/zinc/08/48/72/988084872.db2.gz VYWKAIUOSXLMSK-FCEWJHQRSA-N 2 0 406.621 3.795 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1C ZINC000470278859 988233611 /nfs/dbraw/zinc/23/36/11/988233611.db2.gz HYSVVSMJJKJZDT-ZYSHUDEJSA-N 2 0 414.516 3.822 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470282011 988237464 /nfs/dbraw/zinc/23/74/64/988237464.db2.gz CXFHBWWJEWSVKR-LJQANCHMSA-N 2 0 414.516 3.824 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283016 988239996 /nfs/dbraw/zinc/23/99/96/988239996.db2.gz LXIOYHOOCLMIMA-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497643 988490844 /nfs/dbraw/zinc/49/08/44/988490844.db2.gz QPCUCFIMCKMIIO-RDPSFJRHSA-N 2 0 423.605 3.867 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497641 988491165 /nfs/dbraw/zinc/49/11/65/988491165.db2.gz QPCUCFIMCKMIIO-GBXCKJPGSA-N 2 0 423.605 3.867 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721055 988747008 /nfs/dbraw/zinc/74/70/08/988747008.db2.gz BDWZCJWPTSWYRZ-VXKWHMMOSA-N 2 0 412.578 3.969 20 0 HHADRP CN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470745801 988786028 /nfs/dbraw/zinc/78/60/28/988786028.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 2 0 420.601 3.741 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747942 988788749 /nfs/dbraw/zinc/78/87/49/988788749.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000470754596 988796311 /nfs/dbraw/zinc/79/63/11/988796311.db2.gz IRZBJAVNKMLJIB-DEOSSOPVSA-N 2 0 412.622 3.792 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755990 988797413 /nfs/dbraw/zinc/79/74/13/988797413.db2.gz NPLDVYFCJCDDQO-VQTJNVASSA-N 2 0 404.624 3.648 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968387 989032593 /nfs/dbraw/zinc/03/25/93/989032593.db2.gz PXNCEICSCSMVEA-QFIPXVFZSA-N 2 0 405.586 3.946 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000464819408 989056541 /nfs/dbraw/zinc/05/65/41/989056541.db2.gz AZJGWQBUFJZTQE-RTWAWAEBSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000464819406 989056641 /nfs/dbraw/zinc/05/66/41/989056641.db2.gz AZJGWQBUFJZTQE-LEWJYISDSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000464819407 989057051 /nfs/dbraw/zinc/05/70/51/989057051.db2.gz AZJGWQBUFJZTQE-NHCUHLMSSA-N 2 0 400.611 3.838 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000471001706 989068491 /nfs/dbraw/zinc/06/84/91/989068491.db2.gz RLRCDGSVOYYRMF-WMZHIEFXSA-N 2 0 424.589 3.583 20 0 HHADRP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007020 989075153 /nfs/dbraw/zinc/07/51/53/989075153.db2.gz LOTDMNXHHAXPJB-UHCVVMIDSA-N 2 0 406.570 3.505 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000471377701 989554759 /nfs/dbraw/zinc/55/47/59/989554759.db2.gz YCUKRTBFZUNBCV-SJBKTWHCSA-N 2 0 424.589 3.872 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+]2CCCCC2)cc1 ZINC000465407335 989754384 /nfs/dbraw/zinc/75/43/84/989754384.db2.gz KFTYIFOJLYXAMM-VYTWWXLVSA-N 2 0 414.594 3.537 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429444 989774249 /nfs/dbraw/zinc/77/42/49/989774249.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 2 0 420.601 3.815 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465430301 989775488 /nfs/dbraw/zinc/77/54/88/989775488.db2.gz GZZLNGWVANCJRP-URVUXULASA-N 2 0 414.619 3.603 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000471600300 989803920 /nfs/dbraw/zinc/80/39/20/989803920.db2.gz AVAORSKOODEKJO-IAGOWNOFSA-N 2 0 402.608 3.804 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477589 989825246 /nfs/dbraw/zinc/82/52/46/989825246.db2.gz PAZHEDOUHRYCDA-NHCUHLMSSA-N 2 0 407.002 3.849 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000465516030 989868811 /nfs/dbraw/zinc/86/88/11/989868811.db2.gz AMRGCUXPRDCMJE-YWHXQDJNSA-N 2 0 412.622 3.979 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465524060 989878546 /nfs/dbraw/zinc/87/85/46/989878546.db2.gz CYNPSSUXZVUDNX-GMAHTHKFSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465532380 989891814 /nfs/dbraw/zinc/89/18/14/989891814.db2.gz FGMLYTZTANGUAP-QKNQBKEWSA-N 2 0 406.640 3.941 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465532384 989891929 /nfs/dbraw/zinc/89/19/29/989891929.db2.gz FGMLYTZTANGUAP-SFHLNBCPSA-N 2 0 406.640 3.941 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557312 989921037 /nfs/dbraw/zinc/92/10/37/989921037.db2.gz GAMJRHFIXIVUHP-LPHOPBHVSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000465561878 989928885 /nfs/dbraw/zinc/92/88/85/989928885.db2.gz CEQAHQGPVHBZTA-PKTZIBPZSA-N 2 0 406.574 3.793 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000465650843 990036905 /nfs/dbraw/zinc/03/69/05/990036905.db2.gz DATHXGFQGIJJML-OALUTQOASA-N 2 0 400.567 3.860 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000465793754 990175428 /nfs/dbraw/zinc/17/54/28/990175428.db2.gz WINVHYMXZYJFCC-HSZRJFAPSA-N 2 0 400.611 3.936 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814221 990197426 /nfs/dbraw/zinc/19/74/26/990197426.db2.gz MCZJROCUIXGTTD-QPPBQGQZSA-N 2 0 408.590 3.904 20 0 HHADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000465891710 991017481 /nfs/dbraw/zinc/01/74/81/991017481.db2.gz QIZBRPGKUJIMRL-KWDCZQRMSA-N 2 0 410.606 3.746 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962409 991106918 /nfs/dbraw/zinc/10/69/18/991106918.db2.gz YSKZGUOFZIYWTN-PKTZIBPZSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000466100225 991279214 /nfs/dbraw/zinc/27/92/14/991279214.db2.gz LFTFAJQKPYIZSR-UHFFFAOYSA-N 2 0 422.017 3.725 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000466711484 992024121 /nfs/dbraw/zinc/02/41/21/992024121.db2.gz CFENWYAFICTNGM-OAQYLSRUSA-N 2 0 423.601 3.978 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000466720741 992032168 /nfs/dbraw/zinc/03/21/68/992032168.db2.gz BJPPLZJTYPENTI-MSOLQXFVSA-N 2 0 410.002 3.729 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000467090803 992396109 /nfs/dbraw/zinc/39/61/09/992396109.db2.gz LZLJGIRPGDLEHN-UHFFFAOYSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467094230 992400067 /nfs/dbraw/zinc/40/00/67/992400067.db2.gz ITIDTRSNSWLWKX-NRFANRHFSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098510 992404346 /nfs/dbraw/zinc/40/43/46/992404346.db2.gz BEJLCWIAOBCZFF-NZQKXSOJSA-N 2 0 400.611 3.587 20 0 HHADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000467205763 992531157 /nfs/dbraw/zinc/53/11/57/992531157.db2.gz IYXLYYMCSJCOTF-UHFFFAOYSA-N 2 0 414.377 3.899 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314330 992637058 /nfs/dbraw/zinc/63/70/58/992637058.db2.gz UOTPHXMUKFBTMY-PXDATVDWSA-N 2 0 403.574 3.902 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000467378370 992694850 /nfs/dbraw/zinc/69/48/50/992694850.db2.gz VDEJQKFHIKMZQG-NHCUHLMSSA-N 2 0 400.611 3.633 20 0 HHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000467386809 992700948 /nfs/dbraw/zinc/70/09/48/992700948.db2.gz ATRXQCLHANKMIZ-MRXNPFEDSA-N 2 0 407.480 3.718 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467414045 992717727 /nfs/dbraw/zinc/71/77/27/992717727.db2.gz QJECXFJZHIKXKO-NRFANRHFSA-N 2 0 424.427 3.532 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467840745 993072058 /nfs/dbraw/zinc/07/20/58/993072058.db2.gz RYAXPXJACKTGCE-LJQANCHMSA-N 2 0 415.603 3.774 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849984 993081873 /nfs/dbraw/zinc/08/18/73/993081873.db2.gz IDJRKBINUVOEAT-LDQXTDLNSA-N 2 0 403.364 3.983 20 0 HHADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000472140757 993195515 /nfs/dbraw/zinc/19/55/15/993195515.db2.gz SYGMQPGZUVBPPM-UHFFFAOYSA-N 2 0 411.590 3.780 20 0 HHADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000472144058 993199567 /nfs/dbraw/zinc/19/95/67/993199567.db2.gz LSMANRSWEBRCHN-QGZVFWFLSA-N 2 0 411.521 3.832 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000472146806 993201475 /nfs/dbraw/zinc/20/14/75/993201475.db2.gz BUQTUZBIZOEODU-OAHLLOKOSA-N 2 0 423.424 3.688 20 0 HHADRP CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472365618 993363309 /nfs/dbraw/zinc/36/33/09/993363309.db2.gz PFVFNHUGBAIUMU-DEOSSOPVSA-N 2 0 420.601 3.815 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000472589687 993550430 /nfs/dbraw/zinc/55/04/30/993550430.db2.gz QFRBQYRGCVNNRE-UHFFFAOYSA-N 2 0 402.410 3.594 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000480721564 993589790 /nfs/dbraw/zinc/58/97/90/993589790.db2.gz NDZCNEWTAJVFTC-SPEDKVCISA-N 2 0 402.583 3.758 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(SC)c(OC)c3)cn2)CC1 ZINC000480725495 993592854 /nfs/dbraw/zinc/59/28/54/993592854.db2.gz KEJWFTBLGYODGD-KRWDZBQOSA-N 2 0 400.592 3.805 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000472670942 993596323 /nfs/dbraw/zinc/59/63/23/993596323.db2.gz ODXGAZRASNHYRV-KRWDZBQOSA-N 2 0 408.384 3.974 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472684919 993606106 /nfs/dbraw/zinc/60/61/06/993606106.db2.gz RJYRSDWUQWGPCT-IBGZPJMESA-N 2 0 408.384 3.974 20 0 HHADRP Cc1cccc([C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)c1 ZINC000480741792 993608511 /nfs/dbraw/zinc/60/85/11/993608511.db2.gz ALLLCAVAWPWUBG-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000480759850 993625186 /nfs/dbraw/zinc/62/51/86/993625186.db2.gz PSSWREHEYICWLZ-GUYCJALGSA-N 2 0 412.315 3.579 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000480772167 993637093 /nfs/dbraw/zinc/63/70/93/993637093.db2.gz PZYUTTLQTQCOAX-IBGZPJMESA-N 2 0 410.400 3.670 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnccn1 ZINC000480783310 993650757 /nfs/dbraw/zinc/65/07/57/993650757.db2.gz ZNLOZNGYPOJLPB-KRWDZBQOSA-N 2 0 407.484 3.748 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000480906307 993762307 /nfs/dbraw/zinc/76/23/07/993762307.db2.gz YBNJLUXNPURBMN-HXUWFJFHSA-N 2 0 423.605 3.815 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C[NH+]1CCCCC1 ZINC000480909956 993766222 /nfs/dbraw/zinc/76/62/22/993766222.db2.gz LLCDDAZPLUBUBI-MOPGFXCFSA-N 2 0 419.591 3.531 20 0 HHADRP C[C@@H](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000472994615 993924424 /nfs/dbraw/zinc/92/44/24/993924424.db2.gz QGGKCDSHLPXXGS-SFHVURJKSA-N 2 0 400.542 3.597 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192327 994025180 /nfs/dbraw/zinc/02/51/80/994025180.db2.gz SLUAEQSUSPAEEL-ZNLUXHQJSA-N 2 0 422.491 3.945 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000481296441 994112253 /nfs/dbraw/zinc/11/22/53/994112253.db2.gz SKTSUTRKYHTEMQ-QGZVFWFLSA-N 2 0 404.576 3.791 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473426006 994277762 /nfs/dbraw/zinc/27/77/62/994277762.db2.gz HFBNLFUGCVMYKC-UHFFFAOYSA-N 2 0 413.610 3.665 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497286 994343486 /nfs/dbraw/zinc/34/34/86/994343486.db2.gz QFGXNPYFZQGCLE-HSZRJFAPSA-N 2 0 403.636 3.576 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539118 994370885 /nfs/dbraw/zinc/37/08/85/994370885.db2.gz YESLOLNDKQKKNC-FDDCHVKYSA-N 2 0 411.546 3.595 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000481546927 994378578 /nfs/dbraw/zinc/37/85/78/994378578.db2.gz RAQMCMSYAWMKMO-KRWDZBQOSA-N 2 0 404.551 3.792 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559366 994393401 /nfs/dbraw/zinc/39/34/01/994393401.db2.gz FQEZTGXWFXHUOX-MBSDFSHPSA-N 2 0 411.546 3.595 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560172 994394556 /nfs/dbraw/zinc/39/45/56/994394556.db2.gz HHSGLMVDFDGDLO-NZQKXSOJSA-N 2 0 422.569 3.964 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560171 994394710 /nfs/dbraw/zinc/39/47/10/994394710.db2.gz HHSGLMVDFDGDLO-NFBKMPQASA-N 2 0 422.569 3.964 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000473624944 994505589 /nfs/dbraw/zinc/50/55/89/994505589.db2.gz KFHBQDPMYZPPSV-UHFFFAOYSA-N 2 0 413.610 3.747 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000481714763 994575816 /nfs/dbraw/zinc/57/58/16/994575816.db2.gz HEAKCMWMHAMRKZ-IBGZPJMESA-N 2 0 415.603 3.822 20 0 HHADRP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000481818300 994668472 /nfs/dbraw/zinc/66/84/72/994668472.db2.gz VHWUOVYPAXYVRF-VWLOTQADSA-N 2 0 418.585 3.735 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC000473836035 994769770 /nfs/dbraw/zinc/76/97/70/994769770.db2.gz LJRRBSKXWCCCGD-XMMPIXPASA-N 2 0 421.589 3.787 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000481917463 994790012 /nfs/dbraw/zinc/79/00/12/994790012.db2.gz FTAFWIYSJXOVGT-MRXNPFEDSA-N 2 0 407.480 3.718 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000473981810 994968822 /nfs/dbraw/zinc/96/88/22/994968822.db2.gz GGRLBWJDQLEGRQ-YDPRHXJPSA-N 2 0 414.594 3.538 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000482050404 994975578 /nfs/dbraw/zinc/97/55/78/994975578.db2.gz PMWMXXQLPLMMLU-CTUHWIOQSA-N 2 0 411.590 3.744 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474013885 995004212 /nfs/dbraw/zinc/00/42/12/995004212.db2.gz VOOKVEFKRMTTDS-PMACEKPBSA-N 2 0 400.611 3.707 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474027684 995019647 /nfs/dbraw/zinc/01/96/47/995019647.db2.gz BUZZEURXYTXNMW-NPHXMPSESA-N 2 0 400.611 3.564 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1)C1CCOCC1 ZINC000474055355 995044102 /nfs/dbraw/zinc/04/41/02/995044102.db2.gz SSGYJBOAJLACIK-FTBPSBKWSA-N 2 0 416.606 3.861 20 0 HHADRP COc1cc(OC)c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000482119259 995066036 /nfs/dbraw/zinc/06/60/36/995066036.db2.gz GKZONWHAKCMKFX-KRWDZBQOSA-N 2 0 418.969 3.615 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000482241522 995223965 /nfs/dbraw/zinc/22/39/65/995223965.db2.gz KQQBGKYPNYCYCB-IBGZPJMESA-N 2 0 402.542 3.891 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000482243496 995224612 /nfs/dbraw/zinc/22/46/12/995224612.db2.gz OKARSLSBOZLHGY-IBGZPJMESA-N 2 0 403.979 3.958 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482267070 995245115 /nfs/dbraw/zinc/24/51/15/995245115.db2.gz HXFXKVIDOJILKK-JTHBVZDNSA-N 2 0 412.622 3.945 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482284523 995263208 /nfs/dbraw/zinc/26/32/08/995263208.db2.gz BQFLEQLVEUOPGZ-VWNXMTODSA-N 2 0 410.606 3.557 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482293374 995272785 /nfs/dbraw/zinc/27/27/85/995272785.db2.gz RYMRGKNNCWDGQS-LOSJGSFVSA-N 2 0 420.601 3.944 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474336775 995317152 /nfs/dbraw/zinc/31/71/52/995317152.db2.gz LKMGWTDJEUXFIY-UHFFFAOYSA-N 2 0 419.013 3.868 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339974 995318825 /nfs/dbraw/zinc/31/88/25/995318825.db2.gz YSELBMWTMOUDCI-RBUKOAKNSA-N 2 0 419.591 3.529 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482356335 995336411 /nfs/dbraw/zinc/33/64/11/995336411.db2.gz KBONNCNMDXUPDI-IBGZPJMESA-N 2 0 410.400 3.526 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366950 995346923 /nfs/dbraw/zinc/34/69/23/995346923.db2.gz OQHNPUYYZRZBIE-QUCCMNQESA-N 2 0 424.511 3.649 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000474368585 995349378 /nfs/dbraw/zinc/34/93/78/995349378.db2.gz JMBXSYYJPLNESY-XEVCZEQESA-N 2 0 424.511 3.596 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000482454719 995455243 /nfs/dbraw/zinc/45/52/43/995455243.db2.gz XEUCGYOKXZYAIB-KRWDZBQOSA-N 2 0 423.483 3.628 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000474505787 995465147 /nfs/dbraw/zinc/46/51/47/995465147.db2.gz LADZWZXIEHOSNC-VMBXEPDQSA-N 2 0 400.611 3.657 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000474510099 995471892 /nfs/dbraw/zinc/47/18/92/995471892.db2.gz KDKBNOHUZMFZAR-WOJBJXKFSA-N 2 0 400.611 3.659 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000482470045 995474547 /nfs/dbraw/zinc/47/45/47/995474547.db2.gz XSPORCKHBAJSRU-VWLOTQADSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474529334 995495247 /nfs/dbraw/zinc/49/52/47/995495247.db2.gz YNSRIZTWVDEAPA-SGKWCMOWSA-N 2 0 412.622 3.803 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000482506988 995517516 /nfs/dbraw/zinc/51/75/16/995517516.db2.gz JGDUUNICWHCGEV-ZWKOTPCHSA-N 2 0 404.002 3.758 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000482510034 995520815 /nfs/dbraw/zinc/52/08/15/995520815.db2.gz NCJSBRHKRSIRNY-SJORKVTESA-N 2 0 402.608 3.661 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)CN1CC[NH+](C)CC1 ZINC000482510747 995521653 /nfs/dbraw/zinc/52/16/53/995521653.db2.gz RYDDOLHPSAIHDI-VQIMIIECSA-N 2 0 402.583 3.800 20 0 HHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000482513888 995524430 /nfs/dbraw/zinc/52/44/30/995524430.db2.gz UEHAREJSJPGEHM-DMDYGQEQSA-N 2 0 423.601 3.932 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482534836 995542656 /nfs/dbraw/zinc/54/26/56/995542656.db2.gz OJPBOUWBUHRKRS-CABCVRRESA-N 2 0 410.393 3.774 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474617503 995568719 /nfs/dbraw/zinc/56/87/19/995568719.db2.gz GJJKETAHJUGNQM-OALUTQOASA-N 2 0 409.603 3.985 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482644423 995639609 /nfs/dbraw/zinc/63/96/09/995639609.db2.gz VBSJYGCCJWREHK-GGAORHGYSA-N 2 0 407.558 3.696 20 0 HHADRP Clc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(-n2cncn2)c1 ZINC000474715694 995654147 /nfs/dbraw/zinc/65/41/47/995654147.db2.gz RRGBZNXXNOKOJD-UHFFFAOYSA-N 2 0 411.937 3.685 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000474743981 995676621 /nfs/dbraw/zinc/67/66/21/995676621.db2.gz UIXLCSUFTLPNRX-BWKNWUBXSA-N 2 0 405.586 3.946 20 0 HHADRP C[C@H](CCc1ccc(I)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000474948860 995819327 /nfs/dbraw/zinc/81/93/27/995819327.db2.gz SDLSWIAJZWGFHO-OAHLLOKOSA-N 2 0 400.348 3.934 20 0 HHADRP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475130710 995941707 /nfs/dbraw/zinc/94/17/07/995941707.db2.gz QPDSBHJPKBVCEM-ZEQRLZLVSA-N 2 0 406.574 3.739 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139454 995947995 /nfs/dbraw/zinc/94/79/95/995947995.db2.gz NMANSPRQQCMTHE-YADARESESA-N 2 0 402.542 3.818 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177218 995974346 /nfs/dbraw/zinc/97/43/46/995974346.db2.gz YMTDGDNHKNUKMY-HSZRJFAPSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483117297 995986077 /nfs/dbraw/zinc/98/60/77/995986077.db2.gz GQZWNPHHHWQLFL-SIKLNZKXSA-N 2 0 409.549 3.784 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200699 996034104 /nfs/dbraw/zinc/03/41/04/996034104.db2.gz OKFUGQOJNWMAQP-OTWHNJEPSA-N 2 0 411.537 3.593 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)cc1 ZINC000483517211 996228304 /nfs/dbraw/zinc/22/83/04/996228304.db2.gz DRTYDHHXNRMKCN-QHCPKHFHSA-N 2 0 414.594 3.538 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)c1 ZINC000483706198 996339310 /nfs/dbraw/zinc/33/93/10/996339310.db2.gz BNTNJYYVHIHDDK-HSZRJFAPSA-N 2 0 414.594 3.538 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483706351 996339913 /nfs/dbraw/zinc/33/99/13/996339913.db2.gz FEABBWONJQLFEO-ACIOBRDBSA-N 2 0 400.611 3.974 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483706352 996340051 /nfs/dbraw/zinc/34/00/51/996340051.db2.gz FEABBWONJQLFEO-AKIFATBCSA-N 2 0 400.611 3.974 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000483716758 996346769 /nfs/dbraw/zinc/34/67/69/996346769.db2.gz WFVSAOYADGGHEL-UHFFFAOYSA-N 2 0 416.610 3.613 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000483743614 996361367 /nfs/dbraw/zinc/36/13/67/996361367.db2.gz GPQYYRQASAGFGU-UHFFFAOYSA-N 2 0 420.623 3.500 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483834085 996416473 /nfs/dbraw/zinc/41/64/73/996416473.db2.gz ZFRUQYVBQKOZGU-HXUWFJFHSA-N 2 0 410.672 3.692 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@@H+]2C2CC2)c1 ZINC000483937585 996478554 /nfs/dbraw/zinc/47/85/54/996478554.db2.gz HJCSACJKJJIDRG-DNQXCXABSA-N 2 0 422.573 3.534 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000475935516 996483753 /nfs/dbraw/zinc/48/37/53/996483753.db2.gz VIXIWOSKYFYBIT-GBXCKJPGSA-N 2 0 423.605 3.867 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974567 996501035 /nfs/dbraw/zinc/50/10/35/996501035.db2.gz MFPNBIDRGNQKME-ZJSXRUAMSA-N 2 0 408.590 3.718 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000484292451 996683364 /nfs/dbraw/zinc/68/33/64/996683364.db2.gz OUSAKFDKOWXDKH-LJQANCHMSA-N 2 0 422.411 3.653 20 0 HHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000484306946 996693057 /nfs/dbraw/zinc/69/30/57/996693057.db2.gz KJMZUSUWQUAVPJ-LJQANCHMSA-N 2 0 411.537 3.955 20 0 HHADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000484481580 996800704 /nfs/dbraw/zinc/80/07/04/996800704.db2.gz WFBAZLSKWBSDBT-AZUAARDMSA-N 2 0 413.562 3.574 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483044 996804872 /nfs/dbraw/zinc/80/48/72/996804872.db2.gz LGMQLXONEWKNEL-LVXARBLLSA-N 3 0 407.602 3.644 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000485000060 997363313 /nfs/dbraw/zinc/36/33/13/997363313.db2.gz FDPMQIPBMAEYBR-UYAOXDASSA-N 2 0 420.598 3.752 20 0 HHADRP C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000476906095 997512089 /nfs/dbraw/zinc/51/20/89/997512089.db2.gz MFGDLEMMMPRDEE-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260443 997653512 /nfs/dbraw/zinc/65/35/12/997653512.db2.gz NFRDPBKZVBAONJ-UGKGYDQZSA-N 2 0 412.578 3.920 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@@H]21 ZINC000485309383 997718577 /nfs/dbraw/zinc/71/85/77/997718577.db2.gz QLUILISEMYLTTC-GIVPXCGWSA-N 2 0 404.986 3.603 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385773 997814001 /nfs/dbraw/zinc/81/40/01/997814001.db2.gz OJIAKAHBLNPHHV-HFSMHLIXSA-N 2 0 400.592 3.561 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000485408908 997841510 /nfs/dbraw/zinc/84/15/10/997841510.db2.gz OVPQNMMUXRSDRT-UHFFFAOYSA-N 2 0 401.595 3.907 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465663 997910448 /nfs/dbraw/zinc/91/04/48/997910448.db2.gz OGNVOYMDTLXLJE-VAMGGRTRSA-N 2 0 404.624 3.647 20 0 HHADRP Cn1ccnc1C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000485501921 997957538 /nfs/dbraw/zinc/95/75/38/997957538.db2.gz GQAKOFPUANWRKT-HSZRJFAPSA-N 2 0 423.605 3.960 20 0 HHADRP O=C(C1CC[NH+](C2CC2)CC1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000485893392 998347247 /nfs/dbraw/zinc/34/72/47/998347247.db2.gz BBXSUQFOPFERIJ-IBGZPJMESA-N 2 0 423.523 3.774 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315814 998709066 /nfs/dbraw/zinc/70/90/66/998709066.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 2 0 420.601 3.861 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000486338754 998718913 /nfs/dbraw/zinc/71/89/13/998718913.db2.gz ANHRPVDGPRPBCN-FCHUYYIVSA-N 2 0 414.594 3.535 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477928 998787376 /nfs/dbraw/zinc/78/73/76/998787376.db2.gz PQVXDSTYBYZFBV-PMVMPFDFSA-N 2 0 424.589 3.935 20 0 HHADRP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000478220975 998830254 /nfs/dbraw/zinc/83/02/54/998830254.db2.gz AJZSROBAEGCAIY-UHFFFAOYSA-N 2 0 410.558 3.888 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CC1 ZINC000478331823 998893462 /nfs/dbraw/zinc/89/34/62/998893462.db2.gz RTIJAQQNHKTOPH-DEOSSOPVSA-N 2 0 423.626 3.876 20 0 HHADRP CC(C)(CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCC1 ZINC000478417270 998946882 /nfs/dbraw/zinc/94/68/82/998946882.db2.gz QIWBYOCBKHDOCN-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP C[NH+]1CCC(CC(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC1 ZINC000486939481 999013141 /nfs/dbraw/zinc/01/31/41/999013141.db2.gz JYHMUABZYCTMLC-UHFFFAOYSA-N 2 0 420.601 3.722 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000487016181 999037383 /nfs/dbraw/zinc/03/73/83/999037383.db2.gz ZOJQKSCSJVUSJY-XMMPIXPASA-N 2 0 405.586 3.967 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000487079366 999056910 /nfs/dbraw/zinc/05/69/10/999056910.db2.gz UDDNAMXTANEMGE-YPAWHYETSA-N 2 0 416.610 3.639 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000478807659 999150452 /nfs/dbraw/zinc/15/04/52/999150452.db2.gz RIUSUGJVBNEGPB-RDPSFJRHSA-N 2 0 408.590 3.684 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000478840193 999170447 /nfs/dbraw/zinc/17/04/47/999170447.db2.gz PQGIUNSXOOIHFT-HSZRJFAPSA-N 2 0 412.578 3.638 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000478892540 999198055 /nfs/dbraw/zinc/19/80/55/999198055.db2.gz NDGGJXSKNIXJJX-QZTJIDSGSA-N 2 0 410.562 3.659 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000478900753 999201401 /nfs/dbraw/zinc/20/14/01/999201401.db2.gz STJUDRQTJFJHHC-QHCPKHFHSA-N 2 0 412.553 3.701 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479060088 999273450 /nfs/dbraw/zinc/27/34/50/999273450.db2.gz MEOREYPJQMHLPJ-VWLOTQADSA-N 2 0 416.569 3.996 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000487888781 999305542 /nfs/dbraw/zinc/30/55/42/999305542.db2.gz NLZKTPLQZZYDQH-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479281988 999363395 /nfs/dbraw/zinc/36/33/95/999363395.db2.gz KGQXVNTXWDSZBB-JRGCBEDISA-N 2 0 404.986 3.745 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077180 999369081 /nfs/dbraw/zinc/36/90/81/999369081.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 2 0 408.590 3.717 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000479294868 999370505 /nfs/dbraw/zinc/37/05/05/999370505.db2.gz UPBJGDJHVXTWNP-DYESRHJHSA-N 2 0 402.380 3.764 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000479321060 999383795 /nfs/dbraw/zinc/38/37/95/999383795.db2.gz QABAGXIRUVQXMJ-UHFFFAOYSA-N 2 0 416.610 3.566 20 0 HHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333309 999390002 /nfs/dbraw/zinc/39/00/02/999390002.db2.gz WOKLYUARYXNCKX-KGLIPLIRSA-N 2 0 422.422 3.804 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000479344644 999395405 /nfs/dbraw/zinc/39/54/05/999395405.db2.gz FZDJBKBQPIDQNC-REWPJTCUSA-N 2 0 400.611 3.933 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000479348816 999397728 /nfs/dbraw/zinc/39/77/28/999397728.db2.gz NEISNKMUJOPMTC-SFTDATJTSA-N 2 0 418.607 3.740 20 0 HHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368545 999407087 /nfs/dbraw/zinc/40/70/87/999407087.db2.gz ZIJWFUNUWLNQDI-CHWSQXEVSA-N 2 0 410.411 3.802 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438986 999417932 /nfs/dbraw/zinc/41/79/32/999417932.db2.gz PIHZHTWHBWSRBI-ZCYQVOJMSA-N 2 0 416.569 3.996 20 0 HHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000479451407 999423350 /nfs/dbraw/zinc/42/33/50/999423350.db2.gz GRZCHRDXTMFNPG-UHFFFAOYSA-N 2 0 401.016 3.981 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000479473311 999432150 /nfs/dbraw/zinc/43/21/50/999432150.db2.gz AJFJAKCAPPRJQB-UHFFFAOYSA-N 2 0 408.590 3.797 20 0 HHADRP Clc1cnc(NC2CC[NH+](CC3CC3)CC2)nc1NC1CC[NH+](CC2CC2)CC1 ZINC000488391145 999471356 /nfs/dbraw/zinc/47/13/56/999471356.db2.gz BPVCTLUAJSPOFM-UHFFFAOYSA-N 2 0 419.017 3.703 20 0 HHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479556535 999476345 /nfs/dbraw/zinc/47/63/45/999476345.db2.gz QZYMNUMKEXEHLD-IAGOWNOFSA-N 2 0 401.016 3.981 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459709 999493003 /nfs/dbraw/zinc/49/30/03/999493003.db2.gz LSQMJNCSWBNXGG-RDGATRHJSA-N 2 0 424.589 3.970 20 0 HHADRP COc1cc2c(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc[nH+]c2cc1F ZINC000479959035 999663395 /nfs/dbraw/zinc/66/33/95/999663395.db2.gz DOSILEPPYMUAAI-GOSISDBHSA-N 2 0 422.504 3.692 20 0 HHADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000480013136 999686139 /nfs/dbraw/zinc/68/61/39/999686139.db2.gz JRSQZYQWHDNNBV-UHFFFAOYSA-N 2 0 400.611 3.995 20 0 HHADRP CC[NH+]1CCC(N[C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480034925 999695311 /nfs/dbraw/zinc/69/53/11/999695311.db2.gz BFSIUCUKQWTLFS-INIZCTEOSA-N 2 0 400.304 3.579 20 0 HHADRP COc1ccc(CN(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000489127510 999707056 /nfs/dbraw/zinc/70/70/56/999707056.db2.gz KWRRISUXWPKGLG-UHFFFAOYSA-N 2 0 409.574 3.525 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278574 999735649 /nfs/dbraw/zinc/73/56/49/999735649.db2.gz RSIUXSUAPYAVFP-DNQXCXABSA-N 2 0 424.589 3.743 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)c1 ZINC000480176476 999737164 /nfs/dbraw/zinc/73/71/64/999737164.db2.gz DXGLPXSSOQGHNU-JOCHJYFZSA-N 2 0 418.589 3.829 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000489536384 999786955 /nfs/dbraw/zinc/78/69/55/999786955.db2.gz XPPBMFFKPWIVSM-CEMLEFRQSA-N 2 0 410.562 3.626 20 0 HHADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C2CC2)o1 ZINC000489683077 999816883 /nfs/dbraw/zinc/81/68/83/999816883.db2.gz ZYOQIHLQBBFSKP-UHFFFAOYSA-N 2 0 409.574 3.923 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CCC3)cc1 ZINC000480536947 999821070 /nfs/dbraw/zinc/82/10/70/999821070.db2.gz ORPRNAQNOTXNCV-FQEVSTJZSA-N 2 0 414.619 3.812 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480541472 999821982 /nfs/dbraw/zinc/82/19/82/999821982.db2.gz ZIAWVWBZWFRHIC-MSOLQXFVSA-N 2 0 412.441 3.848 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489726919 999825669 /nfs/dbraw/zinc/82/56/69/999825669.db2.gz ICEHJHXHAYJUGE-ACRUOGEOSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821717 999844079 /nfs/dbraw/zinc/84/40/79/999844079.db2.gz BIUIRWXDNWYISF-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000489886334 999855165 /nfs/dbraw/zinc/85/51/65/999855165.db2.gz MCDUTECEBHVXCA-QHCPKHFHSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687021 999859479 /nfs/dbraw/zinc/85/94/79/999859479.db2.gz DACXWWXQUFROMJ-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP CCCCOc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OC ZINC000480688742 999859739 /nfs/dbraw/zinc/85/97/39/999859739.db2.gz JIOILNNULDRBFF-IBGZPJMESA-N 2 0 412.578 3.872 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccsc1 ZINC000489908070 999859971 /nfs/dbraw/zinc/85/99/71/999859971.db2.gz FRRRRZWTRWYBFU-OAQYLSRUSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480708794 999864759 /nfs/dbraw/zinc/86/47/59/999864759.db2.gz WLDFRTMIAYKAMD-LLZJGCNPSA-N 2 0 407.602 3.603 20 0 HHADRP C[NH+]1CCC(n2ccc(NC(=O)CN(Cc3ccccc3)Cc3ccccc3)n2)CC1 ZINC000489989056 999873653 /nfs/dbraw/zinc/87/36/53/999873653.db2.gz GXNVZAIZFNFNCX-UHFFFAOYSA-N 2 0 417.557 3.791 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000490125459 999896625 /nfs/dbraw/zinc/89/66/25/999896625.db2.gz PNGDWALFDHGHLP-VWLOTQADSA-N 2 0 409.574 3.990 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 ZINC000490135922 999898585 /nfs/dbraw/zinc/89/85/85/999898585.db2.gz JEGQJNUGXXWNSO-SANMLTNESA-N 2 0 421.585 3.990 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000490190710 999907945 /nfs/dbraw/zinc/90/79/45/999907945.db2.gz LJVRMMFUMOAZNG-JOCHJYFZSA-N 2 0 404.599 3.640 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490952126 1000026608 /nfs/dbraw/zinc/02/66/08/1000026608.db2.gz QHGVYVZBISOJKS-OALUTQOASA-N 2 0 404.624 3.520 20 0 HHADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993366 1000031522 /nfs/dbraw/zinc/03/15/22/1000031522.db2.gz GJFDWGJYCFBTSE-PXDATVDWSA-N 2 0 420.601 3.640 20 0 HHADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993367 1000031557 /nfs/dbraw/zinc/03/15/57/1000031557.db2.gz GJFDWGJYCFBTSE-SQJMNOBHSA-N 2 0 420.601 3.640 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491022232 1000034806 /nfs/dbraw/zinc/03/48/06/1000034806.db2.gz PBIFHNHXVCOPRB-QFIPXVFZSA-N 2 0 403.517 3.995 20 0 HHADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1OC ZINC000491033041 1000037004 /nfs/dbraw/zinc/03/70/04/1000037004.db2.gz CTRMUKSORAUDGF-QHCPKHFHSA-N 2 0 418.965 3.741 20 0 HHADRP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491336716 1000066450 /nfs/dbraw/zinc/06/64/50/1000066450.db2.gz WSDNWTAUVJVFJW-DENIHFKCSA-N 2 0 424.593 3.839 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000492578703 1000133362 /nfs/dbraw/zinc/13/33/62/1000133362.db2.gz IEUVMCREKNTGDZ-ODGPQVTHSA-N 2 0 408.590 3.542 20 0 HHADRP C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000492782496 1000143680 /nfs/dbraw/zinc/14/36/80/1000143680.db2.gz HIMSNXDTODOBJS-UTKZUKDTSA-N 2 0 419.038 3.938 20 0 HHADRP C[C@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000492782495 1000143713 /nfs/dbraw/zinc/14/37/13/1000143713.db2.gz HIMSNXDTODOBJS-LAUBAEHRSA-N 2 0 419.038 3.938 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038435 1000155188 /nfs/dbraw/zinc/15/51/88/1000155188.db2.gz VOILXECLKQOYQU-MHZLTWQESA-N 2 0 417.597 3.909 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1OC ZINC000493735431 1000188719 /nfs/dbraw/zinc/18/87/19/1000188719.db2.gz HTZPIRWAAPRPHK-UEVCKROQSA-N 2 0 402.579 3.853 20 0 HHADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CC2 ZINC000493929829 1000220929 /nfs/dbraw/zinc/22/09/29/1000220929.db2.gz ZVOROTFRAYPCTO-IBGZPJMESA-N 2 0 415.379 3.681 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc2)cc1 ZINC000494067742 1000292194 /nfs/dbraw/zinc/29/21/94/1000292194.db2.gz ZZXCPYWBBALVQT-RUZDIDTESA-N 2 0 417.553 3.866 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000494409272 1000478191 /nfs/dbraw/zinc/47/81/91/1000478191.db2.gz GBHQFVRYSDVRAI-UHFFFAOYSA-N 2 0 418.379 3.889 20 0 HHADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000494871847 1000706433 /nfs/dbraw/zinc/70/64/33/1000706433.db2.gz DAWAUHPNAQQSDB-RCZVLFRGSA-N 2 0 411.565 3.701 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000495026713 1000787013 /nfs/dbraw/zinc/78/70/13/1000787013.db2.gz GBIAZWUITLQMAD-HXUWFJFHSA-N 2 0 415.622 3.521 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000495026708 1000787335 /nfs/dbraw/zinc/78/73/35/1000787335.db2.gz GBIAZWUITLQMAD-FQEVSTJZSA-N 2 0 415.622 3.521 20 0 HHADRP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505590075 1000923198 /nfs/dbraw/zinc/92/31/98/1000923198.db2.gz DLJUUNKUMXGIPP-WMZHIEFXSA-N 2 0 419.573 3.533 20 0 HHADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000495384038 1000993328 /nfs/dbraw/zinc/99/33/28/1000993328.db2.gz OOTYUUDQEMUFIJ-OAQYLSRUSA-N 2 0 423.601 3.531 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000495698819 1001063037 /nfs/dbraw/zinc/06/30/37/1001063037.db2.gz CNLXJCIEXDEEHY-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506016449 1001164589 /nfs/dbraw/zinc/16/45/89/1001164589.db2.gz BYCCNXJCSZJQFO-IBGZPJMESA-N 2 0 422.013 3.684 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000497433911 1001362568 /nfs/dbraw/zinc/36/25/68/1001362568.db2.gz DUYUTTOBSRNAEO-XMSQKQJNSA-N 2 0 412.578 3.727 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000497582978 1001446115 /nfs/dbraw/zinc/44/61/15/1001446115.db2.gz SOCGBTKQDNTTOP-OAQYLSRUSA-N 2 0 400.567 3.704 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C[NH+]1CCCCC1 ZINC000497598136 1001452757 /nfs/dbraw/zinc/45/27/57/1001452757.db2.gz KIGKWWOYGHBVBW-NRFANRHFSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000497633220 1001466257 /nfs/dbraw/zinc/46/62/57/1001466257.db2.gz LNQRPVIESVROMO-MBSDFSHPSA-N 2 0 412.553 3.953 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690673 1001486139 /nfs/dbraw/zinc/48/61/39/1001486139.db2.gz JZONRNXROZXOCR-BAGYTPMASA-N 2 0 412.578 3.872 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922911 1001595276 /nfs/dbraw/zinc/59/52/76/1001595276.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922914 1001595547 /nfs/dbraw/zinc/59/55/47/1001595547.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 2 0 412.622 3.947 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022098 1001609042 /nfs/dbraw/zinc/60/90/42/1001609042.db2.gz CVAUQBPTLKHQJK-SLYNCCJLSA-N 2 0 418.582 3.872 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000498023469 1001610052 /nfs/dbraw/zinc/61/00/52/1001610052.db2.gz BNILXQHGGMALNG-DENIHFKCSA-N 2 0 412.603 3.657 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)c1 ZINC000506953761 1001726383 /nfs/dbraw/zinc/72/63/83/1001726383.db2.gz QEJJKUYJBQYHSO-JTAQYXEDSA-N 2 0 416.610 3.594 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000498504278 1001927054 /nfs/dbraw/zinc/92/70/54/1001927054.db2.gz HEFBZVVIWQIKET-UHFFFAOYSA-N 2 0 424.564 3.751 20 0 HHADRP Cc1nc2sc3c(c2c(NCCC[NH+]2CCN(c4cc[nH+]cc4)CC2)n1)CCC3 ZINC000498649550 1002049821 /nfs/dbraw/zinc/04/98/21/1002049821.db2.gz RCHWTAOXQFOIKX-UHFFFAOYSA-N 2 0 408.575 3.508 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714416 1002097100 /nfs/dbraw/zinc/09/71/00/1002097100.db2.gz LGMVSNSZTXYGLX-CTNGQTDRSA-N 2 0 414.619 3.732 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507618164 1002222933 /nfs/dbraw/zinc/22/29/33/1002222933.db2.gz IFDCEFBSMTXWMW-LAUBAEHRSA-N 2 0 423.536 3.690 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893779 1002283516 /nfs/dbraw/zinc/28/35/16/1002283516.db2.gz JYEFFJSOMZDNSU-UCFCWBNQSA-N 2 0 424.589 3.650 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498896814 1002287264 /nfs/dbraw/zinc/28/72/64/1002287264.db2.gz ORBQPLAGRIHWMV-JTHBVZDNSA-N 2 0 400.611 3.947 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499102909 1002494324 /nfs/dbraw/zinc/49/43/24/1002494324.db2.gz RWWPEEVHFFMJDR-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000507967548 1002499874 /nfs/dbraw/zinc/49/98/74/1002499874.db2.gz PTPCCMIGDQYKEM-UHFFFAOYSA-N 2 0 411.594 3.872 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533596 /nfs/dbraw/zinc/53/35/96/1002533596.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 2 0 405.586 3.804 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000499738276 1003083429 /nfs/dbraw/zinc/08/34/29/1003083429.db2.gz ZKZFSZZURAUZKR-SFTDATJTSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693804 1003131688 /nfs/dbraw/zinc/13/16/88/1003131688.db2.gz BQCJMVUHQCBEKW-SQJMNOBHSA-N 2 0 401.554 3.897 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721440 1003161486 /nfs/dbraw/zinc/16/14/86/1003161486.db2.gz URHFTYZCBNTAAS-NNWRFLSQSA-N 2 0 409.574 3.783 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722066 1003162621 /nfs/dbraw/zinc/16/26/21/1003162621.db2.gz WQANDVKOUVANGP-RCXJIHSJSA-N 2 0 407.602 3.869 20 0 HHADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508786923 1003216215 /nfs/dbraw/zinc/21/62/15/1003216215.db2.gz YCIVTXCLFAVFBQ-OAQYLSRUSA-N 2 0 411.512 3.772 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868862 1003289450 /nfs/dbraw/zinc/28/94/50/1003289450.db2.gz WHLUKCHCCLLDGP-MHHVOYGZSA-N 2 0 423.605 3.716 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508880789 1003302716 /nfs/dbraw/zinc/30/27/16/1003302716.db2.gz MKQQQVAGRDDEKL-NFBKMPQASA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508897643 1003328349 /nfs/dbraw/zinc/32/83/49/1003328349.db2.gz OHIDZQXMIVMMGF-BBVWWWHTSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000500131823 1003491779 /nfs/dbraw/zinc/49/17/79/1003491779.db2.gz NMGQWZQTCAOZJR-YCRNBWNJSA-N 2 0 409.578 3.598 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021526 1003494013 /nfs/dbraw/zinc/49/40/13/1003494013.db2.gz IEFJVGHUIUZQMA-OAQYLSRUSA-N 2 0 407.002 3.993 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482206 1003741149 /nfs/dbraw/zinc/74/11/49/1003741149.db2.gz BIDUKZQWJLGLOR-ZJSXRUAMSA-N 2 0 421.585 3.667 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509373337 1003800357 /nfs/dbraw/zinc/80/03/57/1003800357.db2.gz PJCZUYZGKJUVFN-KRWDZBQOSA-N 2 0 402.608 3.583 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646678 1003859937 /nfs/dbraw/zinc/85/99/37/1003859937.db2.gz QKBPRZATHCQMEH-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000500753051 1003938262 /nfs/dbraw/zinc/93/82/62/1003938262.db2.gz HORDYNAXEJEGCI-FQEVSTJZSA-N 2 0 406.640 3.724 20 0 HHADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000500760136 1003940777 /nfs/dbraw/zinc/94/07/77/1003940777.db2.gz WSHQLPPZHRDQCE-UHFFFAOYSA-N 2 0 416.569 3.918 20 0 HHADRP C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500781208 1003952759 /nfs/dbraw/zinc/95/27/59/1003952759.db2.gz NNHYJEHRGWNGII-GGAORHGYSA-N 2 0 421.589 3.571 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000500808491 1003970279 /nfs/dbraw/zinc/97/02/79/1003970279.db2.gz RLWDXDSPLCPQKA-DEOSSOPVSA-N 2 0 421.589 3.777 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000500818604 1003977825 /nfs/dbraw/zinc/97/78/25/1003977825.db2.gz QJKCMYJCCQTFAD-QFIPXVFZSA-N 2 0 403.615 3.696 20 0 HHADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512139258 1004051017 /nfs/dbraw/zinc/05/10/17/1004051017.db2.gz KRXPJJFQQBQBSJ-QHAWAJNXSA-N 2 0 421.589 3.604 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155932 1004063466 /nfs/dbraw/zinc/06/34/66/1004063466.db2.gz LGEULARJFZARGR-FGZHOGPDSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C[C@H](C)O1 ZINC000512183135 1004084887 /nfs/dbraw/zinc/08/48/87/1004084887.db2.gz UNWLVINLKYCQIM-HDICACEKSA-N 2 0 402.970 3.847 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000509778332 1004089646 /nfs/dbraw/zinc/08/96/46/1004089646.db2.gz QNCSEFUAKOMLME-UYAOXDASSA-N 2 0 400.611 3.896 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000501001180 1004106323 /nfs/dbraw/zinc/10/63/23/1004106323.db2.gz SNNNYGKEYNIKDC-AUSIDOKSSA-N 2 0 409.578 3.597 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2csc(Br)c2)C2CC2)CC1 ZINC000501020776 1004122938 /nfs/dbraw/zinc/12/29/38/1004122938.db2.gz FXPCRMQDMDNDTC-UHFFFAOYSA-N 2 0 400.430 3.891 20 0 HHADRP c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC[NH+]4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242581 1004145002 /nfs/dbraw/zinc/14/50/02/1004145002.db2.gz JEZYNXLHKAIVQA-HHHXNRCGSA-N 2 0 418.629 3.797 20 0 HHADRP COc1ccc([C@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046742 1004148380 /nfs/dbraw/zinc/14/83/80/1004148380.db2.gz MSWKJMYMGNWYEB-RUZDIDTESA-N 2 0 422.573 3.506 20 0 HHADRP C[N@@H+](CC(=O)Nc1nc(-c2ccccc2)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051086 1004153280 /nfs/dbraw/zinc/15/32/80/1004153280.db2.gz GHSZNUYKSZNBQT-UHFFFAOYSA-N 2 0 421.570 3.992 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000501052208 1004154596 /nfs/dbraw/zinc/15/45/96/1004154596.db2.gz OAHDJYLDFGTWRF-NRFANRHFSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000501086025 1004191152 /nfs/dbraw/zinc/19/11/52/1004191152.db2.gz UWKKSWLUTBNBAF-NZQKXSOJSA-N 2 0 421.589 3.602 20 0 HHADRP C[C@@H](CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410373 1004278163 /nfs/dbraw/zinc/27/81/63/1004278163.db2.gz RPOZTMSMFQARDW-JYFHCDHNSA-N 2 0 407.602 3.874 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413264 1004280825 /nfs/dbraw/zinc/28/08/25/1004280825.db2.gz USADKKCDAVUDDX-IRLDBZIGSA-N 2 0 412.578 3.654 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413727 1004281416 /nfs/dbraw/zinc/28/14/16/1004281416.db2.gz ZKCSXKIUOBIPCT-JTHBVZDNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512429608 1004295906 /nfs/dbraw/zinc/29/59/06/1004295906.db2.gz HWHIOCSMCIRKAP-OTWHNJEPSA-N 2 0 400.567 3.701 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000501325938 1004350272 /nfs/dbraw/zinc/35/02/72/1004350272.db2.gz HCQOSFZWWUGVBU-GOTSBHOMSA-N 2 0 416.610 3.642 20 0 HHADRP CC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000501364368 1004368897 /nfs/dbraw/zinc/36/88/97/1004368897.db2.gz SLJHSELJKJCMLA-VWLOTQADSA-N 2 0 420.601 3.741 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000510209939 1004397316 /nfs/dbraw/zinc/39/73/16/1004397316.db2.gz HXMIHGRMCJYUOM-UHFFFAOYSA-N 2 0 408.590 3.598 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616825 1004429480 /nfs/dbraw/zinc/42/94/80/1004429480.db2.gz CTTFNOWIHKLAHM-XDZVQPMWSA-N 2 0 417.597 3.925 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616822 1004429507 /nfs/dbraw/zinc/42/95/07/1004429507.db2.gz CTTFNOWIHKLAHM-KEVKATSASA-N 2 0 417.597 3.925 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436270 /nfs/dbraw/zinc/43/62/70/1004436270.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 2 0 419.613 3.909 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270836 1004439594 /nfs/dbraw/zinc/43/95/94/1004439594.db2.gz HGYNIQGZVIAQTR-YMPZKCBVSA-N 2 0 400.611 3.564 20 0 HHADRP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632351 1004444479 /nfs/dbraw/zinc/44/44/79/1004444479.db2.gz ZKYVQZCEJDHNRV-ZKMPZPQNSA-N 2 0 421.585 3.592 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cn2)CCO1 ZINC000512646643 1004458012 /nfs/dbraw/zinc/45/80/12/1004458012.db2.gz BWEOXQFKYCMBKE-AKAGGGOCSA-N 2 0 420.601 3.697 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000510333776 1004488528 /nfs/dbraw/zinc/48/85/28/1004488528.db2.gz ZCLDOBVNPLWDEE-UHFFFAOYSA-N 2 0 404.986 3.574 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710944 1004509955 /nfs/dbraw/zinc/50/99/55/1004509955.db2.gz CLEZMDAWXODRKZ-RBBKRZOGSA-N 2 0 412.622 3.945 20 0 HHADRP CCn1c2ccccc2c2cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)ccc21 ZINC000512713551 1004512180 /nfs/dbraw/zinc/51/21/80/1004512180.db2.gz CVAUFKANSDFTMW-UHFFFAOYSA-N 2 0 406.574 3.704 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462737 1004583646 /nfs/dbraw/zinc/58/36/46/1004583646.db2.gz XPEKMFLIOUATAH-FCHUYYIVSA-N 2 0 410.562 3.689 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)o1 ZINC000510465184 1004584637 /nfs/dbraw/zinc/58/46/37/1004584637.db2.gz ZEDNIAVEZIMDKB-QFIPXVFZSA-N 2 0 410.562 3.820 20 0 HHADRP FC(F)OC[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](COC(F)F)C3)c2)C1 ZINC000512831309 1004589537 /nfs/dbraw/zinc/58/95/37/1004589537.db2.gz BXSXFZAZCTUVHN-QZTJIDSGSA-N 2 0 404.448 3.809 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000512839062 1004599548 /nfs/dbraw/zinc/59/95/48/1004599548.db2.gz QSJMWBQRMBBUJR-WOJBJXKFSA-N 2 0 424.511 3.550 20 0 HHADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510488130 1004606889 /nfs/dbraw/zinc/60/68/89/1004606889.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 2 0 412.622 3.776 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510495389 1004614411 /nfs/dbraw/zinc/61/44/11/1004614411.db2.gz YZPKNUWXWMHEKE-IFMALSPDSA-N 2 0 412.622 3.646 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510505360 1004628033 /nfs/dbraw/zinc/62/80/33/1004628033.db2.gz XFBGITCANFEBNH-RBBKRZOGSA-N 2 0 412.622 3.912 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512902217 1004671002 /nfs/dbraw/zinc/67/10/02/1004671002.db2.gz MXZGZKNUZURFDL-HSZRJFAPSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000501786097 1004727269 /nfs/dbraw/zinc/72/72/69/1004727269.db2.gz PIXKJSLGMAJOPS-MRXNPFEDSA-N 2 0 410.400 3.680 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501808116 1004748950 /nfs/dbraw/zinc/74/89/50/1004748950.db2.gz WWNMOYJBQRJVLK-DEOSSOPVSA-N 2 0 421.589 3.705 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000501849254 1004774795 /nfs/dbraw/zinc/77/47/95/1004774795.db2.gz IDQIODJUPVIJMY-DEOSSOPVSA-N 2 0 406.574 3.787 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000501868344 1004787094 /nfs/dbraw/zinc/78/70/94/1004787094.db2.gz DZMFYQMBFHKKLS-MXBUBSDBSA-N 2 0 400.611 3.938 20 0 HHADRP C[N@H+](CCOc1cccc(CNC2CC[NH+](C(C)(C)C)CC2)c1)C1CCOCC1 ZINC000513068954 1004789657 /nfs/dbraw/zinc/78/96/57/1004789657.db2.gz MGFGEKBDRJWDTP-UHFFFAOYSA-N 2 0 403.611 3.529 20 0 HHADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000510788743 1004852744 /nfs/dbraw/zinc/85/27/44/1004852744.db2.gz UNGCMBRTFPAVKP-UHFFFAOYSA-N 2 0 408.502 3.637 20 0 HHADRP Cc1csc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000513203938 1004859222 /nfs/dbraw/zinc/85/92/22/1004859222.db2.gz MVMHWEZYOYCCBI-QGZVFWFLSA-N 2 0 417.598 3.662 20 0 HHADRP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000513203762 1004859256 /nfs/dbraw/zinc/85/92/56/1004859256.db2.gz JRCQPRYFZHSMBC-INIZCTEOSA-N 2 0 416.507 3.645 20 0 HHADRP CC(C)(C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000513206199 1004860241 /nfs/dbraw/zinc/86/02/41/1004860241.db2.gz UYIMYGXJVGFSMP-UHFFFAOYSA-N 2 0 422.013 3.858 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000502116161 1004909632 /nfs/dbraw/zinc/90/96/32/1004909632.db2.gz CRGULDGPNKGTMH-PMACEKPBSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502150448 1004925014 /nfs/dbraw/zinc/92/50/14/1004925014.db2.gz SWMNETLJFPTOMM-LZQZEXGQSA-N 2 0 412.500 3.576 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513396693 1004942483 /nfs/dbraw/zinc/94/24/83/1004942483.db2.gz ZSNKWRXQDMMFGI-VWLOTQADSA-N 2 0 402.542 3.507 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950805 1004950058 /nfs/dbraw/zinc/95/00/58/1004950058.db2.gz NCUVUSMVGJWQSM-FPOVZHCZSA-N 2 0 401.348 3.793 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950804 1004950240 /nfs/dbraw/zinc/95/02/40/1004950240.db2.gz NCUVUSMVGJWQSM-CTNGQTDRSA-N 2 0 401.348 3.793 20 0 HHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000502285666 1004993985 /nfs/dbraw/zinc/99/39/85/1004993985.db2.gz VDKKIGVVVBVVSI-IBGZPJMESA-N 2 0 412.574 3.690 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccco1 ZINC000513509567 1004997100 /nfs/dbraw/zinc/99/71/00/1004997100.db2.gz SWAIECVAXMUXHJ-WIYYLYMNSA-N 2 0 413.566 3.591 20 0 HHADRP C[NH+](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 1005030085 /nfs/dbraw/zinc/03/00/85/1005030085.db2.gz MDDNXWZRGUAABO-BRWVUGGUSA-N 2 0 419.919 3.968 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000513587824 1005038162 /nfs/dbraw/zinc/03/81/62/1005038162.db2.gz BIMPKXSUVMOCNN-OYRHEFFESA-N 2 0 404.558 3.830 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000511144310 1005043657 /nfs/dbraw/zinc/04/36/57/1005043657.db2.gz RPMQTHKQGPWDMS-DNRQZRRGSA-N 2 0 421.585 3.577 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000513689333 1005083057 /nfs/dbraw/zinc/08/30/57/1005083057.db2.gz BNKAXWREKHJYFT-ULQDDVLXSA-N 2 0 402.560 3.995 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246667 1005089465 /nfs/dbraw/zinc/08/94/65/1005089465.db2.gz HHMZEYIESWTZBK-FNAHDJPLSA-N 2 0 404.643 3.935 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250503 1005091387 /nfs/dbraw/zinc/09/13/87/1005091387.db2.gz NKQJUYCEBXQKRL-RBBKRZOGSA-N 2 0 400.611 3.721 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252660 1005092546 /nfs/dbraw/zinc/09/25/46/1005092546.db2.gz YKKNWQLILJADMG-RBUKOAKNSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264639 1005097461 /nfs/dbraw/zinc/09/74/61/1005097461.db2.gz GNAPRKGDUHLXKV-UNMCSNQZSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304757 1005116833 /nfs/dbraw/zinc/11/68/33/1005116833.db2.gz GERZJJTZDKSUQR-RXVVDRJESA-N 2 0 401.620 3.618 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000511428437 1005172536 /nfs/dbraw/zinc/17/25/36/1005172536.db2.gz NSBZUUJWMOGVDT-NRSPTQNISA-N 2 0 414.619 3.951 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000502672741 1005173228 /nfs/dbraw/zinc/17/32/28/1005173228.db2.gz VESWXQXNFQESQE-UHFFFAOYSA-N 2 0 412.622 3.777 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000513887710 1005173783 /nfs/dbraw/zinc/17/37/83/1005173783.db2.gz KQWAEZXJAJBJOB-GBXCKJPGSA-N 2 0 406.574 3.786 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC000502796163 1005221131 /nfs/dbraw/zinc/22/11/31/1005221131.db2.gz ZVLNBMKKLDFTQA-HRTMPFAESA-N 2 0 404.574 3.771 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511562455 1005225819 /nfs/dbraw/zinc/22/58/19/1005225819.db2.gz VATYEDFZSXVSGE-HRTMPFAESA-N 2 0 400.611 3.707 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010268 1005226551 /nfs/dbraw/zinc/22/65/51/1005226551.db2.gz VYLSWQHMNUWFBH-PMACEKPBSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000514031992 1005235817 /nfs/dbraw/zinc/23/58/17/1005235817.db2.gz ALRCLAPKWUOADU-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000502845005 1005241802 /nfs/dbraw/zinc/24/18/02/1005241802.db2.gz NKXIQGIPWLEPII-VQTJNVASSA-N 2 0 408.590 3.862 20 0 HHADRP CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000514052187 1005244379 /nfs/dbraw/zinc/24/43/79/1005244379.db2.gz SODPTHJLWLCRAB-QHCPKHFHSA-N 2 0 409.578 3.680 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000502862881 1005248729 /nfs/dbraw/zinc/24/87/29/1005248729.db2.gz OVEHRDHQFUIFKK-OYRHEFFESA-N 2 0 400.611 3.840 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000514087650 1005259835 /nfs/dbraw/zinc/25/98/35/1005259835.db2.gz HYMDPTUTRYNOLQ-LJQANCHMSA-N 2 0 408.468 3.973 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000514092018 1005261710 /nfs/dbraw/zinc/26/17/10/1005261710.db2.gz AWZCNEYYMBQCHX-BBWFWOEESA-N 2 0 402.560 3.995 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000502891972 1005261854 /nfs/dbraw/zinc/26/18/54/1005261854.db2.gz IETZKZVXUPMREF-PMACEKPBSA-N 2 0 404.599 3.644 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000511651523 1005262135 /nfs/dbraw/zinc/26/21/35/1005262135.db2.gz YRKSCTKYOVYWFZ-UHFFFAOYSA-N 2 0 415.500 3.501 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1-n1ccnn1 ZINC000514096969 1005263879 /nfs/dbraw/zinc/26/38/79/1005263879.db2.gz YYZHEOGMTDTDRB-HSALFYBXSA-N 2 0 405.546 3.727 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678370 1005273074 /nfs/dbraw/zinc/27/30/74/1005273074.db2.gz ZGGQKOVSHIFNQO-CVDCTZTESA-N 2 0 409.599 3.801 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000514127120 1005278432 /nfs/dbraw/zinc/27/84/32/1005278432.db2.gz QKKUAKFCLVLGLA-HSZRJFAPSA-N 2 0 400.611 3.943 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000514178667 1005300018 /nfs/dbraw/zinc/30/00/18/1005300018.db2.gz AJRPCZFSYYUXRE-PZJWPPBQSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190445 1005304989 /nfs/dbraw/zinc/30/49/89/1005304989.db2.gz PEPNINVLUAMRSB-XZOQPEGZSA-N 2 0 412.553 3.873 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190524 1005305084 /nfs/dbraw/zinc/30/50/84/1005305084.db2.gz QOVGMHLFSGOIRT-BJKOFHAPSA-N 2 0 408.590 3.604 20 0 HHADRP C[N@H+](CCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000514244147 1005330383 /nfs/dbraw/zinc/33/03/83/1005330383.db2.gz CXPQNTNLEAPMJK-UHFFFAOYSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000503056868 1005330654 /nfs/dbraw/zinc/33/06/54/1005330654.db2.gz HIGXEBKOCKVCIX-RDPSFJRHSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200428 1005367292 /nfs/dbraw/zinc/36/72/92/1005367292.db2.gz VHHPFCWJYRMNCP-RPWUZVMVSA-N 2 0 414.638 3.607 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[NH+](C)C)cc1 ZINC000503339508 1005393588 /nfs/dbraw/zinc/39/35/88/1005393588.db2.gz FZYRYYPIZFNEMY-GGAORHGYSA-N 2 0 400.611 3.751 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000503409328 1005411218 /nfs/dbraw/zinc/41/12/18/1005411218.db2.gz JQXCYQAEXGBDOE-UHFFFAOYSA-N 2 0 422.411 3.618 20 0 HHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000504086113 1005549718 /nfs/dbraw/zinc/54/97/18/1005549718.db2.gz IAAHJBDTGXMJEH-DEOSSOPVSA-N 2 0 403.574 3.854 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174517 1005566882 /nfs/dbraw/zinc/56/68/82/1005566882.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 2 0 406.574 3.739 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000534063793 1006035001 /nfs/dbraw/zinc/03/50/01/1006035001.db2.gz MAEQGVGZHXJFSK-RLLQIKCJSA-N 2 0 409.496 3.504 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000531443839 1006200065 /nfs/dbraw/zinc/20/00/65/1006200065.db2.gz RHAZFAVRZPHBMX-LJQANCHMSA-N 2 0 412.603 3.696 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C[NH+]1CCCCC1 ZINC000534249434 1006257211 /nfs/dbraw/zinc/25/72/11/1006257211.db2.gz GJPSUVZQEGAEIV-QFIPXVFZSA-N 2 0 412.622 3.806 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250804 1006258555 /nfs/dbraw/zinc/25/85/55/1006258555.db2.gz MTESSPSJGSNAII-UWJYYQICSA-N 2 0 424.992 3.988 20 0 HHADRP CC(C)[NH+]1CCC(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000531683598 1006352092 /nfs/dbraw/zinc/35/20/92/1006352092.db2.gz WNGBDYMZFZRNBG-UHFFFAOYSA-N 2 0 406.618 3.971 20 0 HHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000531684701 1006353017 /nfs/dbraw/zinc/35/30/17/1006353017.db2.gz PNSZSAXVARHLPC-OXJNMPFZSA-N 2 0 422.411 3.812 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000531702943 1006365728 /nfs/dbraw/zinc/36/57/28/1006365728.db2.gz VTPWDIVJHXSBPR-WMZHIEFXSA-N 2 0 421.651 3.647 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cn(-c4ccccc4)nc3C(C)(C)C)CC2)CC1 ZINC000531820281 1006449978 /nfs/dbraw/zinc/44/99/78/1006449978.db2.gz VLTNEWYTWYHMHP-UHFFFAOYSA-N 2 0 409.622 3.818 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000531896789 1006503682 /nfs/dbraw/zinc/50/36/82/1006503682.db2.gz WZRTVZCQLSAWKW-UHFFFAOYSA-N 2 0 411.512 3.860 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518342 1006510366 /nfs/dbraw/zinc/51/03/66/1006510366.db2.gz AKXIUYMTGDIJCY-ZWKOTPCHSA-N 2 0 409.530 3.764 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000515518740 1006511603 /nfs/dbraw/zinc/51/16/03/1006511603.db2.gz MXIYZWXNLBCKLA-PMACEKPBSA-N 2 0 409.574 3.722 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000534515830 1006511703 /nfs/dbraw/zinc/51/17/03/1006511703.db2.gz XRSGICXMFZGGOM-QHCPKHFHSA-N 2 0 406.574 3.806 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531931944 1006528100 /nfs/dbraw/zinc/52/81/00/1006528100.db2.gz WBKYBMQOMSSGFK-APWZRJJASA-N 2 0 421.010 3.697 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939635 1006533894 /nfs/dbraw/zinc/53/38/94/1006533894.db2.gz FOIXPWXYEKTAGW-CYFREDJKSA-N 2 0 406.574 3.601 20 0 HHADRP COc1cccc(C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)c1 ZINC000531989939 1006565051 /nfs/dbraw/zinc/56/50/51/1006565051.db2.gz YTIDSLJEIRHCHH-RUZDIDTESA-N 2 0 416.569 3.916 20 0 HHADRP COc1ccccc1N1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000532105491 1006639110 /nfs/dbraw/zinc/63/91/10/1006639110.db2.gz DXBKXVPMQHFSHU-UHFFFAOYSA-N 2 0 422.617 3.984 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000515763531 1006655066 /nfs/dbraw/zinc/65/50/66/1006655066.db2.gz UXNOOTRAAPMJAX-OAQYLSRUSA-N 2 0 404.986 3.651 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682822 1006662166 /nfs/dbraw/zinc/66/21/66/1006662166.db2.gz MVRJEQZEMJRUEK-BJKOFHAPSA-N 2 0 406.574 3.917 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)s2)c1)C1CCOCC1 ZINC000532138624 1006665411 /nfs/dbraw/zinc/66/54/11/1006665411.db2.gz YKKPLCKRPMHMAC-UHFFFAOYSA-N 2 0 401.576 3.800 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000532155474 1006679754 /nfs/dbraw/zinc/67/97/54/1006679754.db2.gz KJRGNYPYDIMPHW-UHFFFAOYSA-N 2 0 416.429 3.521 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000532155464 1006679962 /nfs/dbraw/zinc/67/99/62/1006679962.db2.gz WPDMEPQUBKIIMO-ZCNNSNEGSA-N 2 0 419.585 3.556 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000515825322 1006702202 /nfs/dbraw/zinc/70/22/02/1006702202.db2.gz OBQBLOWJGQGIDM-LEWJYISDSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188572 1006707016 /nfs/dbraw/zinc/70/70/16/1006707016.db2.gz QRUNKYWQHHKFBO-RXVVDRJESA-N 2 0 424.618 3.585 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837741 1006710326 /nfs/dbraw/zinc/71/03/26/1006710326.db2.gz JTCHNCCQRDPKBW-HBMCJLEFSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193458 1006711648 /nfs/dbraw/zinc/71/16/48/1006711648.db2.gz VGNSUIZLHIHADH-UFPGJGBJSA-N 3 0 406.618 3.827 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536055 1006797894 /nfs/dbraw/zinc/79/78/94/1006797894.db2.gz NCLKDTZNHSLZKK-CPJSRVTESA-N 2 0 420.601 3.706 20 0 HHADRP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556714 1006818293 /nfs/dbraw/zinc/81/82/93/1006818293.db2.gz FKKFFWSMZVTNLE-KKSFZXQISA-N 2 0 408.550 3.679 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000532361137 1006818932 /nfs/dbraw/zinc/81/89/32/1006818932.db2.gz IQPDKQVTXYMVOD-UHFFFAOYSA-N 2 0 403.574 3.735 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(Cn2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000532362043 1006820208 /nfs/dbraw/zinc/82/02/08/1006820208.db2.gz QEEIAZYYRSLZTR-UHFFFAOYSA-N 2 0 403.574 3.752 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000532367148 1006824253 /nfs/dbraw/zinc/82/42/53/1006824253.db2.gz ORTSEORUJLVUDR-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000516159437 1006922261 /nfs/dbraw/zinc/92/22/61/1006922261.db2.gz WZAMFSOTDOJMPI-NHCUHLMSSA-N 2 0 400.611 3.982 20 0 HHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000532489834 1006930768 /nfs/dbraw/zinc/93/07/68/1006930768.db2.gz BVZWGNGMCKJTOT-HNNXBMFYSA-N 2 0 401.473 3.513 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000538662964 1006939216 /nfs/dbraw/zinc/93/92/16/1006939216.db2.gz UDDSKNNNTFYHCF-QFIPXVFZSA-N 2 0 415.622 3.824 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000516204419 1006942081 /nfs/dbraw/zinc/94/20/81/1006942081.db2.gz ZCQPNYXVNJPULG-IFMALSPDSA-N 2 0 421.589 3.704 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000516204420 1006942722 /nfs/dbraw/zinc/94/27/22/1006942722.db2.gz ZCQPNYXVNJPULG-IRLDBZIGSA-N 2 0 421.589 3.704 20 0 HHADRP OC1(C(F)(F)F)CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000532551611 1006982883 /nfs/dbraw/zinc/98/28/83/1006982883.db2.gz ZVQPSNOYSCDBTQ-UHFFFAOYSA-N 2 0 414.512 3.883 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532579025 1007012832 /nfs/dbraw/zinc/01/28/32/1007012832.db2.gz FWTAIZFKAKRJGQ-QPPBQGQZSA-N 2 0 405.586 3.720 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000538739913 1007022454 /nfs/dbraw/zinc/02/24/54/1007022454.db2.gz SUPQOFLVHOAOGQ-UHFFFAOYSA-N 2 0 401.595 3.771 20 0 HHADRP Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000532708580 1007122253 /nfs/dbraw/zinc/12/22/53/1007122253.db2.gz GFYFHPJLQMWGHF-JOCHJYFZSA-N 2 0 412.603 3.864 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000516557845 1007155076 /nfs/dbraw/zinc/15/50/76/1007155076.db2.gz IJIBMMSRTDUNLJ-GBESFXJTSA-N 2 0 402.539 3.828 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582064 1007166410 /nfs/dbraw/zinc/16/64/10/1007166410.db2.gz PTRYXUHOJWHKKO-AUSIDOKSSA-N 2 0 412.553 3.734 20 0 HHADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000532763277 1007167899 /nfs/dbraw/zinc/16/78/99/1007167899.db2.gz XATPQLQFXICJRJ-PZJWPPBQSA-N 2 0 409.574 3.981 20 0 HHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000532765698 1007170285 /nfs/dbraw/zinc/17/02/85/1007170285.db2.gz RKXFBEKRBWNXNG-LEWJYISDSA-N 2 0 405.542 3.835 20 0 HHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000532765699 1007170486 /nfs/dbraw/zinc/17/04/86/1007170486.db2.gz RKXFBEKRBWNXNG-NHCUHLMSSA-N 2 0 405.542 3.835 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000516608679 1007189962 /nfs/dbraw/zinc/18/99/62/1007189962.db2.gz XHZJAUOWZXEFIB-LJQANCHMSA-N 2 0 400.611 3.769 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1OC(F)F ZINC000538942534 1007226606 /nfs/dbraw/zinc/22/66/06/1007226606.db2.gz CLRJRGWIMZZIRZ-UHFFFAOYSA-N 2 0 418.488 3.860 20 0 HHADRP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945159 1007229573 /nfs/dbraw/zinc/22/95/73/1007229573.db2.gz WDIXCFNZSCOPHQ-OAQYLSRUSA-N 2 0 408.590 3.676 20 0 HHADRP CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000535184841 1007230349 /nfs/dbraw/zinc/23/03/49/1007230349.db2.gz GPDPJCIAHCRKEL-UHFFFAOYSA-N 2 0 423.527 3.605 20 0 HHADRP C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000539031881 1007328677 /nfs/dbraw/zinc/32/86/77/1007328677.db2.gz UHRXEJSVPSYTCG-OAQYLSRUSA-N 2 0 420.601 3.757 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cnn1-c1cc(C)ccc1C ZINC000539047302 1007344525 /nfs/dbraw/zinc/34/45/25/1007344525.db2.gz NCXDIGICRRZGGK-LJQANCHMSA-N 2 0 407.562 3.984 20 0 HHADRP COc1ccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2c1 ZINC000539074352 1007365072 /nfs/dbraw/zinc/36/50/72/1007365072.db2.gz WWACXJTWBQPKQW-SFHVURJKSA-N 2 0 405.542 3.991 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc12 ZINC000539075582 1007365778 /nfs/dbraw/zinc/36/57/78/1007365778.db2.gz JGMBFKXUWXAVOT-SFHVURJKSA-N 2 0 405.542 3.991 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c2ccccc12 ZINC000539075580 1007366405 /nfs/dbraw/zinc/36/64/05/1007366405.db2.gz JGMBFKXUWXAVOT-GOSISDBHSA-N 2 0 405.542 3.991 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000539083141 1007372225 /nfs/dbraw/zinc/37/22/25/1007372225.db2.gz WPRMWCZDIBOHQY-MBSDFSHPSA-N 2 0 411.546 3.646 20 0 HHADRP c1ccc(C2([NH2+]CCOCC[NH2+]C3(c4ccccc4)CCOCC3)CCOCC2)cc1 ZINC000533060616 1007422231 /nfs/dbraw/zinc/42/22/31/1007422231.db2.gz CYCHDYDPPMCWQP-UHFFFAOYSA-N 2 0 424.585 3.594 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000539160043 1007459924 /nfs/dbraw/zinc/45/99/24/1007459924.db2.gz JFSQSMZKTFPLNM-GOSISDBHSA-N 2 0 415.603 3.949 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161761 1007461892 /nfs/dbraw/zinc/46/18/92/1007461892.db2.gz PRVIYOPJXRASHV-GUDVDZBRSA-N 2 0 415.603 3.663 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000535397309 1007463099 /nfs/dbraw/zinc/46/30/99/1007463099.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 2 0 420.601 3.985 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)CC2)c1 ZINC000517215767 1007510939 /nfs/dbraw/zinc/51/09/39/1007510939.db2.gz OWVSPGYLGXLWQE-XZOQPEGZSA-N 2 0 409.622 3.947 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000533181542 1007522736 /nfs/dbraw/zinc/52/27/36/1007522736.db2.gz HOYNMUSZRZJARO-UHFFFAOYSA-N 2 0 402.583 3.937 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000539317900 1007617030 /nfs/dbraw/zinc/61/70/30/1007617030.db2.gz GXEVPMHYBWWTJA-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535674187 1007696888 /nfs/dbraw/zinc/69/68/88/1007696888.db2.gz CHVBCRXKSUIVFV-XMMPIXPASA-N 2 0 403.570 3.994 20 0 HHADRP Cc1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(N2CCOCC2)c1 ZINC000539394212 1007699850 /nfs/dbraw/zinc/69/98/50/1007699850.db2.gz AITIOYQPYMAGOD-QHCPKHFHSA-N 2 0 421.585 3.909 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535684343 1007716031 /nfs/dbraw/zinc/71/60/31/1007716031.db2.gz UVCMNOQSPBAABU-DBXWQHBBSA-N 2 0 422.976 3.742 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535697539 1007733539 /nfs/dbraw/zinc/73/35/39/1007733539.db2.gz AUTRCQYKCCOTQS-UTKZUKDTSA-N 2 0 422.976 3.742 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535703407 1007741416 /nfs/dbraw/zinc/74/14/16/1007741416.db2.gz ZMBHMIIQHATOPI-PXNSSMCTSA-N 2 0 410.965 3.647 20 0 HHADRP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)oc21 ZINC000539496376 1007807422 /nfs/dbraw/zinc/80/74/22/1007807422.db2.gz HUTCUOPAZANEGF-LAUBAEHRSA-N 2 0 421.541 3.990 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(Br)c1 ZINC000539498278 1007809493 /nfs/dbraw/zinc/80/94/93/1007809493.db2.gz BXDJKSWKNYDXTF-LJQANCHMSA-N 2 0 421.358 3.976 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000533578674 1007881851 /nfs/dbraw/zinc/88/18/51/1007881851.db2.gz GVLCJEJTLNGUFM-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628812 1007946254 /nfs/dbraw/zinc/94/62/54/1007946254.db2.gz VSSQWIGXXVRTOT-QFQXNSOFSA-N 2 0 419.617 3.936 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)[C@H](C)C1 ZINC000539645963 1007962365 /nfs/dbraw/zinc/96/23/65/1007962365.db2.gz XGIXLCAWFGDVKY-QPPBQGQZSA-N 2 0 402.627 3.766 20 0 HHADRP CC(C)C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)NCC[NH+](C)C ZINC000539646780 1007963862 /nfs/dbraw/zinc/96/38/62/1007963862.db2.gz HBAKKBFUIDNKHC-ICSRJNTNSA-N 2 0 414.619 3.870 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)C2)CC1 ZINC000535970748 1008009463 /nfs/dbraw/zinc/00/94/63/1008009463.db2.gz ZSRWQZMBVLJCEZ-KNQAVFIVSA-N 2 0 419.013 3.850 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C2)CC1 ZINC000533773867 1008099152 /nfs/dbraw/zinc/09/91/52/1008099152.db2.gz UXHIWZVXJKEPHM-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000533785516 1008108626 /nfs/dbraw/zinc/10/86/26/1008108626.db2.gz QVJUJDHYPUZKIF-AWEZNQCLSA-N 2 0 401.418 3.507 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824221 1008119075 /nfs/dbraw/zinc/11/90/75/1008119075.db2.gz DRGODZXMZJICOI-HYBUGGRVSA-N 2 0 423.601 3.829 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000518051738 1008129813 /nfs/dbraw/zinc/12/98/13/1008129813.db2.gz RCYBNQLIPGTTFP-FQEVSTJZSA-N 2 0 409.574 3.789 20 0 HHADRP C[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000540017376 1008239850 /nfs/dbraw/zinc/23/98/50/1008239850.db2.gz YSLJYQXBZBQXSK-PMACEKPBSA-N 2 0 401.599 3.592 20 0 HHADRP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043815 1008253329 /nfs/dbraw/zinc/25/33/29/1008253329.db2.gz GKTBZLCASJXNNW-OAQYLSRUSA-N 2 0 408.590 3.676 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000540046255 1008255794 /nfs/dbraw/zinc/25/57/94/1008255794.db2.gz ZXQIVKSXQYSNLM-UHFFFAOYSA-N 2 0 410.606 3.705 20 0 HHADRP COc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccc(OC)cc2)cc1 ZINC000540155223 1008314142 /nfs/dbraw/zinc/31/41/42/1008314142.db2.gz AVVJPDKYBIZMSR-JIMJEQGWSA-N 2 0 424.585 3.955 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540161556 1008317317 /nfs/dbraw/zinc/31/73/17/1008317317.db2.gz SDLHHOFLNFUWKI-QVKFZJNVSA-N 2 0 419.928 3.876 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000540169565 1008320148 /nfs/dbraw/zinc/32/01/48/1008320148.db2.gz LQSQICNNOLRAKY-OAHLLOKOSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258258 1008357530 /nfs/dbraw/zinc/35/75/30/1008357530.db2.gz FNCJVDINIFSVBA-OTWHNJEPSA-N 2 0 415.603 3.663 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@H]1C ZINC000540328185 1008381775 /nfs/dbraw/zinc/38/17/75/1008381775.db2.gz MWGCPAVWHXPCNE-WOJBJXKFSA-N 2 0 419.573 3.771 20 0 HHADRP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000540417343 1008424050 /nfs/dbraw/zinc/42/40/50/1008424050.db2.gz LQYRVFHJGIOBRY-OAQYLSRUSA-N 2 0 400.954 3.751 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493459 1008453819 /nfs/dbraw/zinc/45/38/19/1008453819.db2.gz ADVQPOOQDCDIBF-XLIONFOSSA-N 2 0 412.965 3.892 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507897 1008460448 /nfs/dbraw/zinc/46/04/48/1008460448.db2.gz RHNLRLKVKSOWFJ-GGAORHGYSA-N 2 0 419.569 3.613 20 0 HHADRP C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518927343 1008475986 /nfs/dbraw/zinc/47/59/86/1008475986.db2.gz IJYQGVPOQDOTMG-HXUWFJFHSA-N 2 0 409.574 3.909 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000519052838 1008512516 /nfs/dbraw/zinc/51/25/16/1008512516.db2.gz KNOPANQBTYAGFZ-UHFFFAOYSA-N 2 0 415.409 3.941 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000543068223 1008645769 /nfs/dbraw/zinc/64/57/69/1008645769.db2.gz URYBNQFBAVDMSB-SFHVURJKSA-N 2 0 409.530 3.576 20 0 HHADRP c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000543083586 1008660709 /nfs/dbraw/zinc/66/07/09/1008660709.db2.gz SFRNZTJNLJHQGS-UHFFFAOYSA-N 2 0 419.617 3.733 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549207513 1008779051 /nfs/dbraw/zinc/77/90/51/1008779051.db2.gz PGDIULAHGJGFOE-QFIPXVFZSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000543252793 1008820744 /nfs/dbraw/zinc/82/07/44/1008820744.db2.gz FWOVYYOBUZCOBW-FQEVSTJZSA-N 2 0 415.463 3.959 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490464 1008863333 /nfs/dbraw/zinc/86/33/33/1008863333.db2.gz DSNCLPMGVBIEKW-WOJBJXKFSA-N 2 0 406.640 3.914 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000519497169 1008868468 /nfs/dbraw/zinc/86/84/68/1008868468.db2.gz ZUMSODIWNONHBV-UHFFFAOYSA-N 2 0 422.658 3.611 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000519500231 1008871477 /nfs/dbraw/zinc/87/14/77/1008871477.db2.gz VWWJEMDMIJGILW-OAQYLSRUSA-N 2 0 402.970 3.716 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000519507269 1008879383 /nfs/dbraw/zinc/87/93/83/1008879383.db2.gz VQOFBTMUFBQGLZ-GOSISDBHSA-N 2 0 410.553 3.550 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000549341138 1008920241 /nfs/dbraw/zinc/92/02/41/1008920241.db2.gz PICZFQDAKZGCML-UHFFFAOYSA-N 2 0 403.570 3.945 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000549391494 1008975731 /nfs/dbraw/zinc/97/57/31/1008975731.db2.gz KNZNGWWGTPEWDG-QHCPKHFHSA-N 2 0 423.605 3.861 20 0 HHADRP C[C@@H](NCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044370 /nfs/dbraw/zinc/04/43/70/1009044370.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 3 0 404.687 3.862 20 0 HHADRP C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461623 1009047824 /nfs/dbraw/zinc/04/78/24/1009047824.db2.gz OKPCECKVSASATC-HOTGVXAUSA-N 2 0 413.635 3.937 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000519934458 1009088662 /nfs/dbraw/zinc/08/86/62/1009088662.db2.gz YDJROOOWEQMKRG-UHFFFAOYSA-N 2 0 408.590 3.645 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)CC1 ZINC000519982970 1009128265 /nfs/dbraw/zinc/12/82/65/1009128265.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 2 0 400.611 3.585 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000546199057 1009226159 /nfs/dbraw/zinc/22/61/59/1009226159.db2.gz FPNPCZDNBVSQIZ-RTBURBONSA-N 2 0 422.411 3.825 20 0 HHADRP Cc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)ccc1Cl ZINC000543626398 1009232718 /nfs/dbraw/zinc/23/27/18/1009232718.db2.gz AUDKRHKWZVIHDW-KRWDZBQOSA-N 2 0 424.010 3.729 20 0 HHADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000543628041 1009233781 /nfs/dbraw/zinc/23/37/81/1009233781.db2.gz JSAHCHDPGSNJEX-URVUXULASA-N 2 0 400.588 3.739 20 0 HHADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106742 1009263903 /nfs/dbraw/zinc/26/39/03/1009263903.db2.gz CWDPLFHLZXZWLY-WMZHIEFXSA-N 2 0 409.549 3.601 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC000520114120 1009271471 /nfs/dbraw/zinc/27/14/71/1009271471.db2.gz NQDLFQKAHSHYAG-JOCHJYFZSA-N 2 0 418.532 3.649 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000520129944 1009282759 /nfs/dbraw/zinc/28/27/59/1009282759.db2.gz FGJSBIIRFQZECX-HSZRJFAPSA-N 2 0 412.553 3.736 20 0 HHADRP Brc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000520207537 1009342910 /nfs/dbraw/zinc/34/29/10/1009342910.db2.gz AEFAFTOENWEFQU-UHFFFAOYSA-N 2 0 408.409 3.808 20 0 HHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c1)O[C@H](C)C2 ZINC000520210994 1009345105 /nfs/dbraw/zinc/34/51/05/1009345105.db2.gz LSLPIWGRCVLZPU-OAQYLSRUSA-N 2 0 423.601 3.706 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000520254566 1009371311 /nfs/dbraw/zinc/37/13/11/1009371311.db2.gz ANHWSEHOVKKYSL-UHFFFAOYSA-N 2 0 414.638 3.893 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520374161 1009510918 /nfs/dbraw/zinc/51/09/18/1009510918.db2.gz PSHQZVWBWSNYKV-DEOSSOPVSA-N 2 0 421.585 3.690 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000520463411 1009573303 /nfs/dbraw/zinc/57/33/03/1009573303.db2.gz XAYYJEUEMDTWFA-OAQYLSRUSA-N 2 0 400.611 3.601 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000544000981 1009602104 /nfs/dbraw/zinc/60/21/04/1009602104.db2.gz IEQORLOIQCYFBA-NLMOZGTASA-N 2 0 415.578 3.823 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000520546254 1009631581 /nfs/dbraw/zinc/63/15/81/1009631581.db2.gz NEKBIVVVGTVADN-UHFFFAOYSA-N 2 0 423.605 3.600 20 0 HHADRP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000544041468 1009643775 /nfs/dbraw/zinc/64/37/75/1009643775.db2.gz NCZUXFBBXUZSGW-UEDWAMCQSA-N 2 0 414.594 3.548 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578644 1009658446 /nfs/dbraw/zinc/65/84/46/1009658446.db2.gz VUOCDASTXJTOET-GMAHTHKFSA-N 2 0 400.611 3.879 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@H](C)O1 ZINC000544173215 1009777653 /nfs/dbraw/zinc/77/76/53/1009777653.db2.gz KAEVOUASIWJZMD-GJZGRUSLSA-N 2 0 412.365 3.553 20 0 HHADRP C[NH+](C)CC1(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCCC1 ZINC000546835445 1009792979 /nfs/dbraw/zinc/79/29/79/1009792979.db2.gz YUJVQZIAJODHRE-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC[C@H](C(C)C)[NH+]3CCCCCC3)CCCC2)CC1 ZINC000520788087 1009857518 /nfs/dbraw/zinc/85/75/18/1009857518.db2.gz QONFJULPGPJPLY-JOCHJYFZSA-N 2 0 422.658 3.610 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c(C)c2)CC1 ZINC000520831044 1009891574 /nfs/dbraw/zinc/89/15/74/1009891574.db2.gz MHZBNCLYWRVNNL-DEOSSOPVSA-N 2 0 423.605 3.870 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000520878451 1009933825 /nfs/dbraw/zinc/93/38/25/1009933825.db2.gz AICGRNPPTFPBJD-RTBURBONSA-N 2 0 402.539 3.782 20 0 HHADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000544406862 1010026085 /nfs/dbraw/zinc/02/60/85/1010026085.db2.gz MKJXKCFESOBRIP-UHFFFAOYSA-N 2 0 405.178 3.818 20 0 HHADRP C[NH+]1CCN(c2ccccc2-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000547122720 1010074321 /nfs/dbraw/zinc/07/43/21/1010074321.db2.gz DSHOPMLURYSKHX-UHFFFAOYSA-N 2 0 417.557 3.868 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000521070515 1010087104 /nfs/dbraw/zinc/08/71/04/1010087104.db2.gz ZHFBPNMZAMHOIK-GOSISDBHSA-N 2 0 410.553 3.693 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1 ZINC000547245526 1010191394 /nfs/dbraw/zinc/19/13/94/1010191394.db2.gz KHEOEFGYEQPOKT-UHFFFAOYSA-N 2 0 420.561 3.782 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000550884937 1010241003 /nfs/dbraw/zinc/24/10/03/1010241003.db2.gz DXRWCGLMDGURNV-INIZCTEOSA-N 2 0 406.368 3.631 20 0 HHADRP COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1 ZINC000544635737 1010258935 /nfs/dbraw/zinc/25/89/35/1010258935.db2.gz CLSHCQCWWUTTBA-CVDCTZTESA-N 2 0 416.610 3.594 20 0 HHADRP Cc1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000521285862 1010279468 /nfs/dbraw/zinc/27/94/68/1010279468.db2.gz WYCNXQIGGWTXQJ-YDPRHXJPSA-N 2 0 400.588 3.950 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505545 1010332591 /nfs/dbraw/zinc/33/25/91/1010332591.db2.gz TYFCKQDKIUTYAK-PXDATVDWSA-N 3 0 407.602 3.644 20 0 HHADRP Cc1csc(Sc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)n1 ZINC000547541515 1010345288 /nfs/dbraw/zinc/34/52/88/1010345288.db2.gz XKXRWGFXZKHNDZ-UHFFFAOYSA-N 2 0 407.609 3.560 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000521466477 1010387753 /nfs/dbraw/zinc/38/77/53/1010387753.db2.gz YPMFIACAVBJVQQ-UHFFFAOYSA-N 2 0 412.622 3.601 20 0 HHADRP O=C(C[NH2+][C@H](CCO)C1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544898832 1010474548 /nfs/dbraw/zinc/47/45/48/1010474548.db2.gz WVTMCRWFXQWFCP-FGZHOGPDSA-N 2 0 422.013 3.514 20 0 HHADRP C[NH+]1CCC(NC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521680262 1010545799 /nfs/dbraw/zinc/54/57/99/1010545799.db2.gz YAURFMAYKTXAKO-UHFFFAOYSA-N 2 0 413.393 3.695 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155800 1010547970 /nfs/dbraw/zinc/54/79/70/1010547970.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 2 0 407.602 3.908 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770403 1010604796 /nfs/dbraw/zinc/60/47/96/1010604796.db2.gz CPPASIHKLUSUIY-DHIUTWEWSA-N 2 0 400.611 3.505 20 0 HHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)c1cccc(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000551519053 1010634897 /nfs/dbraw/zinc/63/48/97/1010634897.db2.gz SOTZXAYDEXJDKO-UHFFFAOYSA-N 2 0 424.464 3.901 20 0 HHADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000551585224 1010678370 /nfs/dbraw/zinc/67/83/70/1010678370.db2.gz BPXIIDMCDUCTEO-GBXCKJPGSA-N 2 0 423.601 3.727 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522318096 1010926430 /nfs/dbraw/zinc/92/64/30/1010926430.db2.gz QKSNQQOVWPRRJW-ZJSXRUAMSA-N 2 0 408.590 3.904 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000522409046 1010988730 /nfs/dbraw/zinc/98/87/30/1010988730.db2.gz TYLVPYNMMJKMPI-HXUWFJFHSA-N 2 0 418.607 3.935 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000522596927 1011100181 /nfs/dbraw/zinc/10/01/81/1011100181.db2.gz OCCLRVSWOMYAHR-PLACYPQZSA-N 2 0 400.611 3.878 20 0 HHADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522727141 1011180465 /nfs/dbraw/zinc/18/04/65/1011180465.db2.gz MGKGAHABWANWEJ-IBGZPJMESA-N 2 0 421.545 3.743 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000522823344 1011257100 /nfs/dbraw/zinc/25/71/00/1011257100.db2.gz PUVUUGPWYYDPFJ-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285883 /nfs/dbraw/zinc/28/58/83/1011285883.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 2 0 418.585 3.927 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536231436 1011380647 /nfs/dbraw/zinc/38/06/47/1011380647.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 2 0 421.589 3.523 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000540744356 1011396550 /nfs/dbraw/zinc/39/65/50/1011396550.db2.gz FKZCALTWCBWYHS-QGZVFWFLSA-N 2 0 402.558 3.925 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(Br)cc1 ZINC000540954070 1011598826 /nfs/dbraw/zinc/59/88/26/1011598826.db2.gz FZPZKMIJFCUPBW-PDGJWGCVSA-N 2 0 415.375 3.983 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Br)cc1 ZINC000540954069 1011598871 /nfs/dbraw/zinc/59/88/71/1011598871.db2.gz FZPZKMIJFCUPBW-NMIHRBCNSA-N 2 0 415.375 3.983 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220151 1011708544 /nfs/dbraw/zinc/70/85/44/1011708544.db2.gz CKMKBWOSAQRJFH-BVSLBCMMSA-N 2 0 410.562 3.860 20 0 HHADRP C[C@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(C)(C)C[NH+](C)C ZINC000536521434 1011713678 /nfs/dbraw/zinc/71/36/78/1011713678.db2.gz MWTFLOYWCUAFBO-FQEVSTJZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1)CC1CC1 ZINC000536590805 1011754001 /nfs/dbraw/zinc/75/40/01/1011754001.db2.gz PEKZLJUATNLORV-QHCPKHFHSA-N 2 0 418.601 3.972 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341092 1011819424 /nfs/dbraw/zinc/81/94/24/1011819424.db2.gz YULBSYQJSVFZHA-FPOVZHCZSA-N 2 0 400.592 3.554 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536830954 1012060192 /nfs/dbraw/zinc/06/01/92/1012060192.db2.gz FRPKHQBBBBNCLC-WOJBJXKFSA-N 2 0 409.640 3.736 20 0 HHADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1OC ZINC000552046063 1012065564 /nfs/dbraw/zinc/06/55/64/1012065564.db2.gz WTVBUYPWTKAPHG-GOSISDBHSA-N 2 0 412.574 3.690 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC000552067618 1012085383 /nfs/dbraw/zinc/08/53/83/1012085383.db2.gz RJMLLEZBXBUKLX-HVCNVCAESA-N 2 0 420.601 3.699 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854023 1012085451 /nfs/dbraw/zinc/08/54/51/1012085451.db2.gz XDWKAZNOZGHAKF-SJLPKXTDSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536857396 1012090847 /nfs/dbraw/zinc/09/08/47/1012090847.db2.gz LBNUFOJDVWHYEE-INIZCTEOSA-N 2 0 407.480 3.718 20 0 HHADRP C[NH+](C)CCn1ncc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1-c1ccccc1 ZINC000552165902 1012184097 /nfs/dbraw/zinc/18/40/97/1012184097.db2.gz IZHARWBMACJKAV-UHFFFAOYSA-N 2 0 423.605 3.520 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523667690 1012264448 /nfs/dbraw/zinc/26/44/48/1012264448.db2.gz SSPUFHUGLIRWDT-XMMPIXPASA-N 2 0 406.574 3.596 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523738739 1012359309 /nfs/dbraw/zinc/35/93/09/1012359309.db2.gz JVGBDKXCHZUUKO-IBGZPJMESA-N 2 0 411.565 3.847 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1F ZINC000537042242 1012362007 /nfs/dbraw/zinc/36/20/07/1012362007.db2.gz CGTYWFOVUCSXAD-INIZCTEOSA-N 2 0 417.550 3.672 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000523746727 1012368889 /nfs/dbraw/zinc/36/88/89/1012368889.db2.gz VSMPPTIQYUZAIP-UHFFFAOYSA-N 2 0 412.553 3.660 20 0 HHADRP C[C@H](C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000537115145 1012491388 /nfs/dbraw/zinc/49/13/88/1012491388.db2.gz FUKQLTAZTXWKRU-CLCXKQKWSA-N 2 0 412.441 3.705 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523832692 1012519706 /nfs/dbraw/zinc/51/97/06/1012519706.db2.gz IAJZQBDTLXXEIE-REWPJTCUSA-N 2 0 406.574 3.635 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@H]1C ZINC000537169368 1012572004 /nfs/dbraw/zinc/57/20/04/1012572004.db2.gz ACDVBRGYPWISSK-NHCUHLMSSA-N 2 0 423.601 3.687 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000541915098 1012773706 /nfs/dbraw/zinc/77/37/06/1012773706.db2.gz XWFBRGLJNOWAJK-JPYJTQIMSA-N 2 0 410.562 3.634 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000537345905 1012809969 /nfs/dbraw/zinc/80/99/69/1012809969.db2.gz PWJMODBUFQDHJE-UHFFFAOYSA-N 2 0 418.541 3.908 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000524139950 1012925359 /nfs/dbraw/zinc/92/53/59/1012925359.db2.gz HKMIPAQMOAPMKM-NNXSRULWSA-N 2 0 400.611 3.944 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156233 1012946898 /nfs/dbraw/zinc/94/68/98/1012946898.db2.gz XNGQPZGASLDLEM-LJQANCHMSA-N 2 0 416.610 3.548 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266286 1071830539 /nfs/dbraw/zinc/83/05/39/1071830539.db2.gz DICARIGBNRFAEE-DNQXCXABSA-N 2 0 421.585 3.561 20 0 HHADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569775709 1072047652 /nfs/dbraw/zinc/04/76/52/1072047652.db2.gz FRDVLCNZOQILAV-KRWDZBQOSA-N 2 0 414.516 3.651 20 0 HHADRP Cc1noc([C@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815151 1072129975 /nfs/dbraw/zinc/12/99/75/1072129975.db2.gz PUSMSEOUCHWNQR-PMACEKPBSA-N 2 0 416.570 3.689 20 0 HHADRP C[NH+]1CCC(CNC(=S)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000760501242 1072420506 /nfs/dbraw/zinc/42/05/06/1072420506.db2.gz YNIJQYFITUKANY-UHFFFAOYSA-N 2 0 420.626 3.590 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001168305948 1072477195 /nfs/dbraw/zinc/47/71/95/1072477195.db2.gz WBHIWZSCGQYJDH-UHFFFAOYSA-N 2 0 408.384 3.516 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855773 1072477222 /nfs/dbraw/zinc/47/72/22/1072477222.db2.gz IKLGYNXASNRKQX-UNMCSNQZSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857859 1072480673 /nfs/dbraw/zinc/48/06/73/1072480673.db2.gz GERAKGFCKMTQTH-HBMCJLEFSA-N 2 0 400.611 3.564 20 0 HHADRP CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000729842451 1072482731 /nfs/dbraw/zinc/48/27/31/1072482731.db2.gz DULQNTQRIMJTCN-GLCJEOIMSA-N 2 0 422.573 3.601 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869373 1072492365 /nfs/dbraw/zinc/49/23/65/1072492365.db2.gz WREIZRVQQKSGQR-FGZHOGPDSA-N 2 0 412.578 3.874 20 0 HHADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871902 1072917150 /nfs/dbraw/zinc/91/71/50/1072917150.db2.gz ZWCCQZAJIQJWGD-ZYLNGJIFSA-N 2 0 424.585 3.897 20 0 HHADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871897 1072917334 /nfs/dbraw/zinc/91/73/34/1072917334.db2.gz ZWCCQZAJIQJWGD-DFIYOIEZSA-N 2 0 424.585 3.897 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709782 1073155512 /nfs/dbraw/zinc/15/55/12/1073155512.db2.gz DLLNLQTXJZFEMQ-IRXDYDNUSA-N 2 0 400.485 3.949 20 0 HHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108750 1073196928 /nfs/dbraw/zinc/19/69/28/1073196928.db2.gz BRIIBJCXDBOFJS-LEWJYISDSA-N 2 0 402.604 3.867 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccc21 ZINC000555236483 1073269581 /nfs/dbraw/zinc/26/95/81/1073269581.db2.gz YISNDSGOLPGZBJ-DSITVLBTSA-N 2 0 421.585 3.747 20 0 HHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)c1)O[C@H](C)C2 ZINC000590075170 1073513684 /nfs/dbraw/zinc/51/36/84/1073513684.db2.gz RSDRDWIHBMUGTH-HXUWFJFHSA-N 2 0 409.574 3.711 20 0 HHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)c1)O[C@@H](C)C2 ZINC000590075168 1073513863 /nfs/dbraw/zinc/51/38/63/1073513863.db2.gz RSDRDWIHBMUGTH-FQEVSTJZSA-N 2 0 409.574 3.711 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060569 1073535450 /nfs/dbraw/zinc/53/54/50/1073535450.db2.gz RRKGXVUEQVTADZ-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP Brc1ccccc1CN1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365972 1073759078 /nfs/dbraw/zinc/75/90/78/1073759078.db2.gz HHQDLMPKDPLLQN-UHFFFAOYSA-N 2 0 406.412 3.878 20 0 HHADRP CC(C)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000555924787 1073979273 /nfs/dbraw/zinc/97/92/73/1073979273.db2.gz JIFVYLDFPXPFEL-SFHVURJKSA-N 2 0 402.505 3.537 20 0 HHADRP O=C(c1ccc(Br)cc1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366464 1074074379 /nfs/dbraw/zinc/07/43/79/1074074379.db2.gz SWHYGDQWDHTGCD-UHFFFAOYSA-N 2 0 420.395 3.518 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591557806 1074406362 /nfs/dbraw/zinc/40/63/62/1074406362.db2.gz YDKYCDIHVVRKRQ-NHCUHLMSSA-N 2 0 404.986 3.747 20 0 HHADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591648964 1074476618 /nfs/dbraw/zinc/47/66/18/1074476618.db2.gz NXDFLFWSJGLSCH-FQEVSTJZSA-N 2 0 401.595 3.885 20 0 HHADRP CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000592036111 1074680093 /nfs/dbraw/zinc/68/00/93/1074680093.db2.gz HHHCNXQOGRWZKN-HSZRJFAPSA-N 2 0 424.589 3.691 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592520607 1074780461 /nfs/dbraw/zinc/78/04/61/1074780461.db2.gz LAZGIFCTZMSETM-HXUWFJFHSA-N 2 0 421.029 3.972 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000592520606 1074780585 /nfs/dbraw/zinc/78/05/85/1074780585.db2.gz LAZGIFCTZMSETM-FQEVSTJZSA-N 2 0 421.029 3.972 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593498361 1075204181 /nfs/dbraw/zinc/20/41/81/1075204181.db2.gz ISAAHAAUWPBPMQ-RTBURBONSA-N 2 0 404.599 3.895 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000593501221 1075205556 /nfs/dbraw/zinc/20/55/56/1075205556.db2.gz XWTGLPKPRQEBRO-HSZRJFAPSA-N 2 0 410.562 3.976 20 0 HHADRP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000593829944 1075229251 /nfs/dbraw/zinc/22/92/51/1075229251.db2.gz GDVRIJRWALGJFO-TZIWHRDSSA-N 2 0 409.496 3.528 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594119800 1075264750 /nfs/dbraw/zinc/26/47/50/1075264750.db2.gz UOLABHHDOJMFEQ-NRFANRHFSA-N 2 0 419.013 3.822 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000602277193 1075725600 /nfs/dbraw/zinc/72/56/00/1075725600.db2.gz CKHDUUYBWUOFOI-HSZRJFAPSA-N 2 0 415.585 3.797 20 0 HHADRP COc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000602277177 1075725606 /nfs/dbraw/zinc/72/56/06/1075725606.db2.gz BDVSDSIHQBUECH-NRFANRHFSA-N 2 0 409.574 3.629 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000602277883 1075725875 /nfs/dbraw/zinc/72/58/75/1075725875.db2.gz LHIBVHYJYHFICE-XMMPIXPASA-N 2 0 407.602 3.956 20 0 HHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619700 719011711 /nfs/dbraw/zinc/01/17/11/719011711.db2.gz WVAPIRVRPSVBTR-JTSKRJEESA-N 2 0 405.970 3.615 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628440 719110005 /nfs/dbraw/zinc/11/00/05/719110005.db2.gz MVOXFYPACPWBOG-URXFXBBRSA-N 2 0 406.574 3.655 20 0 HHADRP Fc1cccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656432 719297215 /nfs/dbraw/zinc/29/72/15/719297215.db2.gz XHKLKXFRCRMWFF-VWNXMTODSA-N 2 0 410.537 3.866 20 0 HHADRP Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164839185 720665477 /nfs/dbraw/zinc/66/54/77/720665477.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 2 0 421.589 3.645 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164839877 720701622 /nfs/dbraw/zinc/70/16/22/720701622.db2.gz CLTIHWKDYKBNBP-HSZRJFAPSA-N 2 0 406.574 3.942 20 0 HHADRP FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906810 721716321 /nfs/dbraw/zinc/71/63/21/721716321.db2.gz OLUJKKIETRYWIC-QFIPXVFZSA-N 2 0 413.516 3.815 20 0 HHADRP OC[C@@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)ncn2)C1 ZINC000301245435 970829650 /nfs/dbraw/zinc/82/96/50/970829650.db2.gz PVAYKCHGFGAEIO-HXUWFJFHSA-N 2 0 409.578 3.673 20 0 HHADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301291014 970852552 /nfs/dbraw/zinc/85/25/52/970852552.db2.gz TWLYCFVDDDEHEJ-LJQANCHMSA-N 2 0 405.521 3.808 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000542146886 1013082224 /nfs/dbraw/zinc/08/22/24/1013082224.db2.gz QWTZUYRMFNICPD-NNGSBXSVSA-N 2 0 423.623 3.969 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050876 971476888 /nfs/dbraw/zinc/47/68/88/971476888.db2.gz VCVIKNKCVUJJIM-SIKLNZKXSA-N 2 0 401.501 3.596 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078957 971492254 /nfs/dbraw/zinc/49/22/54/971492254.db2.gz SURYOJTUOKFRSE-ISKFKSNPSA-N 2 0 409.549 3.991 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303430829 971713418 /nfs/dbraw/zinc/71/34/18/971713418.db2.gz CBCJVZQLGYLHFU-VECHLYKBSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488657 971787399 /nfs/dbraw/zinc/78/73/99/971787399.db2.gz RRGFFINKCYLYRC-UAJVTNAGSA-N 2 0 412.622 3.992 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491485 971789684 /nfs/dbraw/zinc/78/96/84/971789684.db2.gz SFYRPTSGAWBIQZ-NZQKXSOJSA-N 2 0 424.589 3.652 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000303785781 972026451 /nfs/dbraw/zinc/02/64/51/972026451.db2.gz DMAYZHJXCJSKLP-QPPBQGQZSA-N 2 0 408.590 3.904 20 0 HHADRP Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000303800509 972036968 /nfs/dbraw/zinc/03/69/68/972036968.db2.gz LMRFBIWVMRIZKO-HXUWFJFHSA-N 2 0 414.550 3.877 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OCc1ccccc1 ZINC000537660217 1013220525 /nfs/dbraw/zinc/22/05/25/1013220525.db2.gz BECYLAKDKOODRO-DEOSSOPVSA-N 2 0 423.601 3.875 20 0 HHADRP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279948 1013240063 /nfs/dbraw/zinc/24/00/63/1013240063.db2.gz GPFFQIDIBHXNBY-PMACEKPBSA-N 2 0 422.491 3.899 20 0 HHADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000537693790 1013258650 /nfs/dbraw/zinc/25/86/50/1013258650.db2.gz ZEHFMTWICMAZAS-KMDXXIMOSA-N 2 0 409.574 3.961 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000542320095 1013275631 /nfs/dbraw/zinc/27/56/31/1013275631.db2.gz SRZNXNBJKUVVKH-UHFFFAOYSA-N 2 0 424.980 3.531 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542391154 1013344476 /nfs/dbraw/zinc/34/44/76/1013344476.db2.gz FJHYSSGHFYOFAF-KRWDZBQOSA-N 2 0 412.525 3.632 20 0 HHADRP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542395496 1013348716 /nfs/dbraw/zinc/34/87/16/1013348716.db2.gz XVKXJCWWTPWYGC-ISJGIBHGSA-N 2 0 421.585 3.642 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[NH+](C)C ZINC000537819055 1013382714 /nfs/dbraw/zinc/38/27/14/1013382714.db2.gz WTDZEGPHVYDCKB-DEOSSOPVSA-N 2 0 408.590 3.576 20 0 HHADRP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844678 1013407823 /nfs/dbraw/zinc/40/78/23/1013407823.db2.gz CJWQTSJRYJCCFL-UHFFFAOYSA-N 2 0 412.553 3.808 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537881962 1013462221 /nfs/dbraw/zinc/46/22/21/1013462221.db2.gz PIWKKFZKUCJFNI-UHFFFAOYSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050137765 964275187 /nfs/dbraw/zinc/27/51/87/964275187.db2.gz RNDKQLCYJLHTPM-PMACEKPBSA-N 2 0 406.640 3.771 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050137763 964275787 /nfs/dbraw/zinc/27/57/87/964275787.db2.gz WAKVWZOWWLOUSN-PMACEKPBSA-N 2 0 406.640 3.914 20 0 HHADRP CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000537902772 1013487578 /nfs/dbraw/zinc/48/75/78/1013487578.db2.gz IDRGWFMLJKVUND-UHFFFAOYSA-N 2 0 421.589 3.604 20 0 HHADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537934896 1013521572 /nfs/dbraw/zinc/52/15/72/1013521572.db2.gz KJOZINKPHUWGBR-QFIPXVFZSA-N 2 0 410.562 3.506 20 0 HHADRP C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537940985 1013524364 /nfs/dbraw/zinc/52/43/64/1013524364.db2.gz DLTNTOSQZLUWGM-MGPUTAFESA-N 2 0 407.352 3.774 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000030664284 965759524 /nfs/dbraw/zinc/75/95/24/965759524.db2.gz SCNMWSCYFJDQOI-UHFFFAOYSA-N 2 0 406.368 3.825 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000030664333 965760934 /nfs/dbraw/zinc/76/09/34/965760934.db2.gz GTJLYOFFCLRMBJ-UHFFFAOYSA-N 2 0 423.630 3.776 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219987 966078599 /nfs/dbraw/zinc/07/85/99/966078599.db2.gz QFAYVWLZYNVQBC-XMMPIXPASA-N 2 0 418.585 3.842 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058379 1013635103 /nfs/dbraw/zinc/63/51/03/1013635103.db2.gz AIDKONYGMWQVMI-QRVBRYPASA-N 2 0 415.603 3.663 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000061190779 966392293 /nfs/dbraw/zinc/39/22/93/966392293.db2.gz FKFNWZJMONFZBH-URXFXBBRSA-N 2 0 420.601 3.782 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)[NH+](C)C)c1 ZINC000061221238 966400009 /nfs/dbraw/zinc/40/00/09/966400009.db2.gz PKXNQRHCDPUSQP-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000061530706 966491414 /nfs/dbraw/zinc/49/14/14/966491414.db2.gz PCMKDLWAZSPFBJ-ZWKOTPCHSA-N 2 0 407.002 3.724 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061553546 966499147 /nfs/dbraw/zinc/49/91/47/966499147.db2.gz KKWKRMSYQVZWMY-NRFANRHFSA-N 2 0 420.601 3.919 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941747 966583857 /nfs/dbraw/zinc/58/38/57/966583857.db2.gz IZBLZDHNSRRTGR-GCJKJVERSA-N 2 0 414.619 3.877 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC000062503109 966693348 /nfs/dbraw/zinc/69/33/48/966693348.db2.gz NQDLFQKAHSHYAG-QFIPXVFZSA-N 2 0 418.532 3.649 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063112494 966756293 /nfs/dbraw/zinc/75/62/93/966756293.db2.gz RVESGPFHQVUONA-RUZDIDTESA-N 2 0 405.586 3.927 20 0 HHADRP S=C(NCCC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148100 966762157 /nfs/dbraw/zinc/76/21/57/966762157.db2.gz KNDILWJKNSHWQQ-UHFFFAOYSA-N 2 0 422.642 3.564 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063331947 966823025 /nfs/dbraw/zinc/82/30/25/966823025.db2.gz VKJCLMYJSSSIPO-UHFFFAOYSA-N 2 0 412.622 3.867 20 0 HHADRP CN(CCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784827 1013681262 /nfs/dbraw/zinc/68/12/62/1013681262.db2.gz RCTRJUKKFBQFBB-KKSFZXQISA-N 2 0 404.917 3.510 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000063463935 966866337 /nfs/dbraw/zinc/86/63/37/966866337.db2.gz PSZWINAQOCNDBH-DEOSSOPVSA-N 2 0 408.590 3.720 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cnc(N(C)C)s3)cc2)C[C@@H]1C ZINC000538122805 1013684988 /nfs/dbraw/zinc/68/49/88/1013684988.db2.gz RPVLHQURBWMDIV-ROUUACIJSA-N 2 0 402.608 3.508 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043521424 966990534 /nfs/dbraw/zinc/99/05/34/966990534.db2.gz VVIWRYJXPLIZFK-UHFFFAOYSA-N 2 0 417.642 3.969 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000064227951 967093727 /nfs/dbraw/zinc/09/37/27/967093727.db2.gz PVHDRLFFMNEITQ-UHFFFAOYSA-N 2 0 408.590 3.850 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000064237309 967100677 /nfs/dbraw/zinc/10/06/77/967100677.db2.gz YLBLHTPOTBRXLI-DEOSSOPVSA-N 2 0 424.589 3.572 20 0 HHADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCCCC1 ZINC000064251357 967105729 /nfs/dbraw/zinc/10/57/29/967105729.db2.gz WHGWLUJRSHCBEO-UHFFFAOYSA-N 2 0 406.640 3.914 20 0 HHADRP COc1c(Br)cc(C[NH2+]CC2CC[NH+](C)CC2)cc1Br ZINC000044516533 967227518 /nfs/dbraw/zinc/22/75/18/967227518.db2.gz HUWWNSJCMAFGCL-UHFFFAOYSA-N 2 0 406.162 3.652 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045182192 967371739 /nfs/dbraw/zinc/37/17/39/967371739.db2.gz YGPHSPVFHMLXBA-UHFFFAOYSA-N 2 0 419.013 3.964 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000065482518 967490859 /nfs/dbraw/zinc/49/08/59/967490859.db2.gz ZQWGYUQQCFBZRJ-JOCHJYFZSA-N 2 0 412.578 3.935 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065521422 967505775 /nfs/dbraw/zinc/50/57/75/967505775.db2.gz FLKUGAYFPLNOKE-NTKDMRAZSA-N 2 0 424.564 3.925 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000048073104 968408941 /nfs/dbraw/zinc/40/89/41/968408941.db2.gz CQYFMDALMIMXPJ-UHFFFAOYSA-N 2 0 404.599 3.991 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000554109106 1013801641 /nfs/dbraw/zinc/80/16/41/1013801641.db2.gz MGTIXQYVWDLDJI-PKOBYXMFSA-N 2 0 420.001 3.572 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000065750090 968623998 /nfs/dbraw/zinc/62/39/98/968623998.db2.gz XAYYJEUEMDTWFA-NRFANRHFSA-N 2 0 400.611 3.601 20 0 HHADRP C[NH+](C)CCOc1ccccc1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274111 1013813076 /nfs/dbraw/zinc/81/30/76/1013813076.db2.gz HATSHOZZIOWRSW-QFIPXVFZSA-N 2 0 409.574 3.705 20 0 HHADRP COc1cccc(C[NH+]2CCC(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000065992163 968757282 /nfs/dbraw/zinc/75/72/82/968757282.db2.gz CADPNUPXGAWXFA-UHFFFAOYSA-N 2 0 421.585 3.688 20 0 HHADRP C[N@H+](CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000066037522 968778080 /nfs/dbraw/zinc/77/80/80/968778080.db2.gz PDBUQXZQASCVBR-UHFFFAOYSA-N 2 0 400.611 3.852 20 0 HHADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295211 1013830246 /nfs/dbraw/zinc/83/02/46/1013830246.db2.gz YWHYJDBRHCGFHU-RBBKRZOGSA-N 2 0 421.589 3.586 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000072036026 968947858 /nfs/dbraw/zinc/94/78/58/968947858.db2.gz PTWCAZTUNPRSJA-JOCHJYFZSA-N 2 0 410.562 3.628 20 0 HHADRP COc1c(C)cc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072074069 968975249 /nfs/dbraw/zinc/97/52/49/968975249.db2.gz OMANRAPPULSXGZ-OAQYLSRUSA-N 2 0 423.601 3.913 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554219081 1013858715 /nfs/dbraw/zinc/85/87/15/1013858715.db2.gz UGPQNSPHEBEOPG-OALUTQOASA-N 2 0 404.555 3.626 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC000108414279 969381731 /nfs/dbraw/zinc/38/17/31/969381731.db2.gz RDIGFJMSPJWHNC-QHCPKHFHSA-N 2 0 416.610 3.596 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195720493 969980619 /nfs/dbraw/zinc/98/06/19/969980619.db2.gz YFQULKSMJKKNHF-BJKOFHAPSA-N 2 0 424.589 3.743 20 0 HHADRP CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000236594227 970144270 /nfs/dbraw/zinc/14/42/70/970144270.db2.gz YASMJONYLUJHHL-PMACEKPBSA-N 2 0 417.594 3.642 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000554451174 1013954541 /nfs/dbraw/zinc/95/45/41/1013954541.db2.gz BRMZGOPGHCSNAC-YKSBVNFPSA-N 2 0 406.574 3.613 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236702753 970158462 /nfs/dbraw/zinc/15/84/62/970158462.db2.gz RUTOYHJGMSOXAZ-HXUWFJFHSA-N 2 0 424.420 3.849 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000236802243 970174281 /nfs/dbraw/zinc/17/42/81/970174281.db2.gz DSGGVYRUJMTREJ-UHFFFAOYSA-N 2 0 413.562 3.534 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000236974039 970197883 /nfs/dbraw/zinc/19/78/83/970197883.db2.gz SAZXOPQISMQOOQ-INIZCTEOSA-N 2 0 406.368 3.825 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000236980796 970199200 /nfs/dbraw/zinc/19/92/00/970199200.db2.gz OMOQNTUZPDEVBM-QGZVFWFLSA-N 2 0 401.526 3.836 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000237090036 970220321 /nfs/dbraw/zinc/22/03/21/970220321.db2.gz QWPBXIFBGJOOLG-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000237178615 970236697 /nfs/dbraw/zinc/23/66/97/970236697.db2.gz HUPXJPYOPDXWEO-UHFFFAOYSA-N 2 0 422.617 3.986 20 0 HHADRP COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000237255458 970249266 /nfs/dbraw/zinc/24/92/66/970249266.db2.gz VAPYMUIKKUREIF-OAQYLSRUSA-N 2 0 417.619 3.697 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000237399464 970277697 /nfs/dbraw/zinc/27/76/97/970277697.db2.gz VXVGZZKNEVIAHM-INIZCTEOSA-N 2 0 424.420 3.520 20 0 HHADRP COc1ccc2cc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)ccc2c1 ZINC000237469351 970293589 /nfs/dbraw/zinc/29/35/89/970293589.db2.gz IOVJEARXERNVTL-UHFFFAOYSA-N 2 0 417.553 3.964 20 0 HHADRP COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000237514797 970306374 /nfs/dbraw/zinc/30/63/74/970306374.db2.gz WPKVMFIYHIBANW-NRFANRHFSA-N 2 0 422.617 3.842 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000237589209 970318124 /nfs/dbraw/zinc/31/81/24/970318124.db2.gz IXYJABIFPQYJTQ-LJQANCHMSA-N 2 0 423.992 3.918 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237589136 970318274 /nfs/dbraw/zinc/31/82/74/970318274.db2.gz WXHRDBKFKKMXJP-OAQYLSRUSA-N 2 0 403.574 3.573 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000237803398 970371520 /nfs/dbraw/zinc/37/15/20/970371520.db2.gz BHCJXCVURICMCW-UHFFFAOYSA-N 2 0 405.464 3.821 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)c2)C1 ZINC000237924468 970395983 /nfs/dbraw/zinc/39/59/83/970395983.db2.gz OCQFFVDEVGBJTL-OAQYLSRUSA-N 2 0 420.582 3.797 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000237977928 970409213 /nfs/dbraw/zinc/40/92/13/970409213.db2.gz YTHVIGBKDLXYTE-OAQYLSRUSA-N 2 0 410.587 3.927 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150167847 970431896 /nfs/dbraw/zinc/43/18/96/970431896.db2.gz CYYRWSHRMWRAJI-OAQYLSRUSA-N 2 0 400.611 3.710 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000248068601 970505334 /nfs/dbraw/zinc/50/53/34/970505334.db2.gz WUKVKKOSHGYWHY-VWLOTQADSA-N 2 0 422.617 3.637 20 0 HHADRP OC1(C[NH2+]Cc2cccc(Br)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397591959 972871389 /nfs/dbraw/zinc/87/13/89/972871389.db2.gz MZJQSDMGTVEGFK-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000409455701 972900985 /nfs/dbraw/zinc/90/09/85/972900985.db2.gz YOOYEFRLTBHZLZ-NFBKMPQASA-N 2 0 409.574 3.973 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000409530357 972986213 /nfs/dbraw/zinc/98/62/13/972986213.db2.gz XMHJFRAHWNQCHG-HSZRJFAPSA-N 2 0 424.589 3.525 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](Cc3cccnc3)c3cccc(Cl)c3)ccn2)CC1 ZINC000425924026 974034774 /nfs/dbraw/zinc/03/47/74/974034774.db2.gz MMBGTPBFARQGIL-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP COC(=O)C1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000426061782 974185051 /nfs/dbraw/zinc/18/50/51/974185051.db2.gz VTEPPUPTMUCJCX-CDNGDFIJSA-N 2 0 402.579 3.517 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000426122961 974246107 /nfs/dbraw/zinc/24/61/07/974246107.db2.gz KODXZLKNOBTKHK-OAQYLSRUSA-N 2 0 400.567 3.643 20 0 HHADRP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770262 974647411 /nfs/dbraw/zinc/64/74/11/974647411.db2.gz QJWHINWLVPEPCO-SFTDATJTSA-N 2 0 415.622 3.784 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000426802841 974672134 /nfs/dbraw/zinc/67/21/34/974672134.db2.gz YDJSHRGFCKJGST-QZTJIDSGSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426820671 974686125 /nfs/dbraw/zinc/68/61/25/974686125.db2.gz MKROIMGIWPRQAY-GUDVDZBRSA-N 2 0 422.013 3.556 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428648649 975949825 /nfs/dbraw/zinc/94/98/25/975949825.db2.gz DBMVBCUPXKYYCY-GGAORHGYSA-N 2 0 400.611 3.851 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000428719978 976008189 /nfs/dbraw/zinc/00/81/89/976008189.db2.gz QKDVGCMEHNUDRS-FYYLOGMGSA-N 2 0 415.622 3.542 20 0 HHADRP CCC1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000429030551 976313979 /nfs/dbraw/zinc/31/39/79/976313979.db2.gz PSQIPIWGMTYXTM-UHFFFAOYSA-N 2 0 412.622 3.852 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068005 976353789 /nfs/dbraw/zinc/35/37/89/976353789.db2.gz BHTAPUNCWHYUDQ-JXALWOEJSA-N 2 0 421.589 3.742 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085408 976371920 /nfs/dbraw/zinc/37/19/20/976371920.db2.gz YPKXCZDNYXVALO-RTWAWAEBSA-N 2 0 423.605 3.817 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678936 976975365 /nfs/dbraw/zinc/97/53/65/976975365.db2.gz BLPJKEPHOIHEND-UIOOFZCWSA-N 2 0 407.602 3.731 20 0 HHADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933676 977898485 /nfs/dbraw/zinc/89/84/85/977898485.db2.gz LPORFZCTXPTMSM-IBGZPJMESA-N 2 0 411.594 3.926 20 0 HHADRP CCn1c2cccc(F)c2nc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430944233 977905096 /nfs/dbraw/zinc/90/50/96/977905096.db2.gz LJSZRIJCQHUGGT-UHFFFAOYSA-N 2 0 415.601 3.823 20 0 HHADRP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431098552 978017593 /nfs/dbraw/zinc/01/75/93/978017593.db2.gz GIJDWPCKZSCQQZ-UHFFFAOYSA-N 2 0 424.593 3.587 20 0 HHADRP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150610 978051818 /nfs/dbraw/zinc/05/18/18/978051818.db2.gz GRCPKJSSPAJKRK-CTNGQTDRSA-N 2 0 424.593 3.633 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000431628920 978395485 /nfs/dbraw/zinc/39/54/85/978395485.db2.gz UNSOVLNYUZMHOD-UHFFFAOYSA-N 2 0 424.580 3.796 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000431648364 978407638 /nfs/dbraw/zinc/40/76/38/978407638.db2.gz JMHOSTLDMUUDBH-DEOSSOPVSA-N 2 0 414.638 3.908 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431672889 978427067 /nfs/dbraw/zinc/42/70/67/978427067.db2.gz JLLAAEMJMFZAGT-YSZBQJHXSA-N 2 0 412.553 3.781 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000431956725 978618296 /nfs/dbraw/zinc/61/82/96/978618296.db2.gz VCSRRTXDKSQOAY-UNMCSNQZSA-N 2 0 422.658 3.610 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431968978 978622897 /nfs/dbraw/zinc/62/28/97/978622897.db2.gz CPCAHGDLDOMUOQ-JOCHJYFZSA-N 2 0 410.606 3.701 20 0 HHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000432347183 978770036 /nfs/dbraw/zinc/77/00/36/978770036.db2.gz OREISKGOHRIYDV-CYBMUJFWSA-N 2 0 420.189 3.802 20 0 HHADRP C[C@H](SCC[N@H+](C)Cc1ccccc1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018169 979043213 /nfs/dbraw/zinc/04/32/13/979043213.db2.gz FNKPVVHRHMMOJJ-REWPJTCUSA-N 2 0 411.615 3.631 20 0 HHADRP C[C@H](SCC[N@H+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018167 979043342 /nfs/dbraw/zinc/04/33/42/979043342.db2.gz FNKPVVHRHMMOJJ-NZQKXSOJSA-N 2 0 411.615 3.631 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccc2nsnc21 ZINC000433080886 979062782 /nfs/dbraw/zinc/06/27/82/979062782.db2.gz FBPXIUNYIVUUFF-UHFFFAOYSA-N 2 0 421.570 3.618 20 0 HHADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112154 979078357 /nfs/dbraw/zinc/07/83/57/979078357.db2.gz HJQRALXXTWLINL-IBGZPJMESA-N 2 0 421.541 3.730 20 0 HHADRP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173161 979117903 /nfs/dbraw/zinc/11/79/03/979117903.db2.gz HFVVIQFGYGRRFV-JOCHJYFZSA-N 2 0 419.569 3.896 20 0 HHADRP COc1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000433191407 979131707 /nfs/dbraw/zinc/13/17/07/979131707.db2.gz UYIZDIUVZNGAPL-PLQXJYEYSA-N 2 0 414.590 3.700 20 0 HHADRP COc1cc(C[NH+]2CCCCC[C@@H]2CCO)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000433205268 979139764 /nfs/dbraw/zinc/13/97/64/979139764.db2.gz KGFNLOCLHFBZKW-PSWAGMNNSA-N 2 0 418.622 3.949 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239689 979170592 /nfs/dbraw/zinc/17/05/92/979170592.db2.gz IHAIAAAADDDVPO-CWQOZTLDSA-N 2 0 403.533 3.759 20 0 HHADRP CCc1cc(C)cc(CC)c1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000435174613 980699017 /nfs/dbraw/zinc/69/90/17/980699017.db2.gz BVZGCHSRAAIAQO-UHFFFAOYSA-N 2 0 409.578 3.849 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435284962 980759840 /nfs/dbraw/zinc/75/98/40/980759840.db2.gz MKLURFYXYUEWQZ-RBBKRZOGSA-N 2 0 409.578 3.842 20 0 HHADRP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435286733 980760483 /nfs/dbraw/zinc/76/04/83/980760483.db2.gz DLSMPKLBVFSBIK-QHCPKHFHSA-N 2 0 417.557 3.952 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000436418821 981358538 /nfs/dbraw/zinc/35/85/38/981358538.db2.gz YFPSUULIZCAJCQ-WIYYLYMNSA-N 2 0 413.528 3.790 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218260 981633158 /nfs/dbraw/zinc/63/31/58/981633158.db2.gz UFWQRWWQCNXZIV-DZFGPLHGSA-N 2 0 404.624 3.789 20 0 HHADRP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235348 981644716 /nfs/dbraw/zinc/64/47/16/981644716.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 0 417.623 3.856 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000437043797 981714326 /nfs/dbraw/zinc/71/43/26/981714326.db2.gz WCSJKJWLPYMDCF-JWQCQUIFSA-N 2 0 405.586 3.879 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000448466729 981801999 /nfs/dbraw/zinc/80/19/99/981801999.db2.gz NTKUXFXDHBRYCJ-JTAQYXEDSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000448468169 981805696 /nfs/dbraw/zinc/80/56/96/981805696.db2.gz UMYRMALVNNXQIA-REWPJTCUSA-N 2 0 400.611 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473740 981815460 /nfs/dbraw/zinc/81/54/60/981815460.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)(C)C ZINC000460339344 982111052 /nfs/dbraw/zinc/11/10/52/982111052.db2.gz CFXNUNXEOUXDBC-FSSWDIPSSA-N 2 0 400.611 3.516 20 0 HHADRP CSC1(CNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000460359537 982134166 /nfs/dbraw/zinc/13/41/66/982134166.db2.gz CAJBGYOKEJSELU-FPOVZHCZSA-N 2 0 420.667 3.879 20 0 HHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000437710186 982310990 /nfs/dbraw/zinc/31/09/90/982310990.db2.gz ORHNKUXMFYAMJX-UHFFFAOYSA-N 2 0 422.573 3.662 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348772 982737084 /nfs/dbraw/zinc/73/70/84/982737084.db2.gz YXCYIYFJHSEKDB-QHCPKHFHSA-N 2 0 413.610 3.737 20 0 HHADRP Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C(F)(F)F ZINC000438548457 982887647 /nfs/dbraw/zinc/88/76/47/982887647.db2.gz WPEIWRVRDZRBJR-UHFFFAOYSA-N 2 0 421.467 3.743 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000438824138 983097379 /nfs/dbraw/zinc/09/73/79/983097379.db2.gz BEXCUMYLOOATKT-JGYHXSOQSA-N 2 0 421.629 3.902 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000438833567 983103710 /nfs/dbraw/zinc/10/37/10/983103710.db2.gz XUHBPXZAJVLESD-CVQXOBEKSA-N 2 0 407.602 3.655 20 0 HHADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(OCC[NH+](C)C)c1 ZINC000438876083 983135603 /nfs/dbraw/zinc/13/56/03/983135603.db2.gz INHKFXCZDUIAPG-UHFFFAOYSA-N 2 0 404.580 3.593 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000438955633 983176758 /nfs/dbraw/zinc/17/67/58/983176758.db2.gz CVYCYHJKRDBESI-HXUWFJFHSA-N 2 0 421.589 3.702 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000439148050 983273099 /nfs/dbraw/zinc/27/30/99/983273099.db2.gz QGGYLHWPKHQGQR-CRAIPNDOSA-N 2 0 400.430 3.823 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439198090 983305636 /nfs/dbraw/zinc/30/56/36/983305636.db2.gz KVBINLKHVNTTBK-UHFFFAOYSA-N 2 0 402.608 3.862 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000439258267 983335057 /nfs/dbraw/zinc/33/50/57/983335057.db2.gz KKQRKAWQPFAJEJ-HSALFYBXSA-N 2 0 404.624 3.789 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000439448461 983414281 /nfs/dbraw/zinc/41/42/81/983414281.db2.gz ZKPHOBPNPUZQJG-TZIWHRDSSA-N 2 0 414.619 3.874 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCc1ccccc1F ZINC000439595242 983464910 /nfs/dbraw/zinc/46/49/10/983464910.db2.gz JGFWWQGEBSXVQG-SFHVURJKSA-N 2 0 409.505 3.845 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000439608708 983469928 /nfs/dbraw/zinc/46/99/28/983469928.db2.gz BELKKTBCIZHJNO-QGZVFWFLSA-N 2 0 421.497 3.757 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000439742415 983522083 /nfs/dbraw/zinc/52/20/83/983522083.db2.gz URUIEUMGOYVJMM-LJQANCHMSA-N 2 0 424.614 3.586 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000439765158 983529608 /nfs/dbraw/zinc/52/96/08/983529608.db2.gz DZTHFWJEBUZYCE-HXUWFJFHSA-N 2 0 424.589 3.758 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000440184280 983674029 /nfs/dbraw/zinc/67/40/29/983674029.db2.gz HBDIIISMKFLCMC-FQEVSTJZSA-N 2 0 415.626 3.761 20 0 HHADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000441011464 984021419 /nfs/dbraw/zinc/02/14/19/984021419.db2.gz DCHKXHPZWJWZPZ-UHFFFAOYSA-N 2 0 408.590 3.659 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000441057623 984047784 /nfs/dbraw/zinc/04/77/84/984047784.db2.gz AHRBZVQMDVVHEG-IBVKSMDESA-N 2 0 405.586 3.666 20 0 HHADRP C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072116 984055718 /nfs/dbraw/zinc/05/57/18/984055718.db2.gz SALUYFFGHPQJSN-NFQMXDRXSA-N 2 0 417.597 3.808 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249302 984137288 /nfs/dbraw/zinc/13/72/88/984137288.db2.gz CGOWRYYKJZHGBW-FGCOXFRFSA-N 2 0 423.557 3.991 20 0 HHADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000462055627 985029246 /nfs/dbraw/zinc/02/92/46/985029246.db2.gz IRQCLKHRKAQFPZ-UHFFFAOYSA-N 2 0 420.601 3.501 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000462111473 985081701 /nfs/dbraw/zinc/08/17/01/985081701.db2.gz MGOFQTPTLONZDN-REWPJTCUSA-N 2 0 421.651 3.638 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000462111471 985082005 /nfs/dbraw/zinc/08/20/05/985082005.db2.gz MGOFQTPTLONZDN-NZQKXSOJSA-N 2 0 421.651 3.638 20 0 HHADRP C[C@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000462816826 985744084 /nfs/dbraw/zinc/74/40/84/985744084.db2.gz MFZZDIVNYMKROE-RDGATRHJSA-N 3 0 418.645 3.852 20 0 HHADRP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443592692 985768592 /nfs/dbraw/zinc/76/85/92/985768592.db2.gz SJNZRZCSCSWJRL-UHFFFAOYSA-N 2 0 423.548 3.834 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1Cc1ccccc1 ZINC000463153213 986124385 /nfs/dbraw/zinc/12/43/85/986124385.db2.gz AUJQGDBIDVLFIR-PXDATVDWSA-N 2 0 407.602 3.786 20 0 HHADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468478239 986173532 /nfs/dbraw/zinc/17/35/32/986173532.db2.gz JUGQMMYOPJLPHD-HXUWFJFHSA-N 2 0 401.595 3.771 20 0 HHADRP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246873 986215203 /nfs/dbraw/zinc/21/52/03/986215203.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 2 0 419.613 3.655 20 0 HHADRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000463298971 986267149 /nfs/dbraw/zinc/26/71/49/986267149.db2.gz GXRNLXWPYJDMDA-UHFFFAOYSA-N 2 0 420.601 3.546 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000468711035 986425450 /nfs/dbraw/zinc/42/54/50/986425450.db2.gz YCOFRNAILOHAHJ-UHFFFAOYSA-N 2 0 407.480 3.971 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnn1C(C)(C)C ZINC000468777254 986489309 /nfs/dbraw/zinc/48/93/09/986489309.db2.gz BQHBBCOKHZDWIX-GOSISDBHSA-N 2 0 411.594 3.623 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468863379 986572281 /nfs/dbraw/zinc/57/22/81/986572281.db2.gz FEKJRAIMNHDMHK-YZLZLFLDSA-N 2 0 405.384 3.780 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000469119845 986837509 /nfs/dbraw/zinc/83/75/09/986837509.db2.gz RDAJAIDTVAFNLX-UHFFFAOYSA-N 2 0 400.567 3.560 20 0 HHADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000469217485 986940617 /nfs/dbraw/zinc/94/06/17/986940617.db2.gz HGTWGQONUQSNFU-QNGMFEMESA-N 2 0 401.595 3.966 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000469433518 987120200 /nfs/dbraw/zinc/12/02/00/987120200.db2.gz FRFYTPJAFJKMMJ-OEMFJLHTSA-N 2 0 412.622 3.801 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000469433519 987120303 /nfs/dbraw/zinc/12/03/03/987120303.db2.gz FRFYTPJAFJKMMJ-XWGVYQGASA-N 2 0 412.622 3.801 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000469523492 987198465 /nfs/dbraw/zinc/19/84/65/987198465.db2.gz KFZSXNDRYPIIDH-DEOSSOPVSA-N 2 0 424.589 3.859 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)c(Cl)c3)cn2)CC1 ZINC000469585999 987252173 /nfs/dbraw/zinc/25/21/73/987252173.db2.gz ZDEOJYCWUXYYTM-UHFFFAOYSA-N 2 0 409.759 3.539 20 0 HHADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000469736519 987386287 /nfs/dbraw/zinc/38/62/87/987386287.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 0 403.526 3.802 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000469761594 987414856 /nfs/dbraw/zinc/41/48/56/987414856.db2.gz AOJCYXCFGXFKNA-MAUKXSAKSA-N 2 0 416.347 3.518 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470274560 988227383 /nfs/dbraw/zinc/22/73/83/988227383.db2.gz KUPIMYAYBRQJOR-KXBFYZLASA-N 2 0 414.516 3.680 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470282842 988238409 /nfs/dbraw/zinc/23/84/09/988238409.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 2 0 400.611 3.516 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721057 988746624 /nfs/dbraw/zinc/74/66/24/988746624.db2.gz BDWZCJWPTSWYRZ-YADHBBJMSA-N 2 0 412.578 3.969 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1Cl ZINC000470737635 988773425 /nfs/dbraw/zinc/77/34/25/988773425.db2.gz QUEGCJXCKZRALR-RXVVDRJESA-N 2 0 407.002 3.850 20 0 HHADRP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737995 988773481 /nfs/dbraw/zinc/77/34/81/988773481.db2.gz RSBXVYPWAVAJSW-LEWJYISDSA-N 2 0 400.592 3.657 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738474 988775121 /nfs/dbraw/zinc/77/51/21/988775121.db2.gz UQOHPESREWGJKE-SIKLNZKXSA-N 2 0 419.013 3.850 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470738669 988775865 /nfs/dbraw/zinc/77/58/65/988775865.db2.gz XACRDVLMOBIEOE-IRLDBZIGSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752811 988794533 /nfs/dbraw/zinc/79/45/33/988794533.db2.gz BOMRCQRQXCTCRW-YKSBVNFPSA-N 2 0 412.622 3.934 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753555 988795809 /nfs/dbraw/zinc/79/58/09/988795809.db2.gz FHYVVMZHKKIDFX-SFTDATJTSA-N 2 0 418.651 3.894 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000464960085 989259637 /nfs/dbraw/zinc/25/96/37/989259637.db2.gz JICWHISOBTWRNB-NRFANRHFSA-N 2 0 400.611 3.840 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000465076692 989396216 /nfs/dbraw/zinc/39/62/16/989396216.db2.gz FDYMLEIDPASGIC-DHIUTWEWSA-N 2 0 400.611 3.518 20 0 HHADRP CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471298701 989460502 /nfs/dbraw/zinc/46/05/02/989460502.db2.gz SNWMGLVIIQYDMG-DEOSSOPVSA-N 2 0 405.586 3.927 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414481 989761366 /nfs/dbraw/zinc/76/13/66/989761366.db2.gz UAAXPWBGJFOSFQ-JTHBVZDNSA-N 2 0 416.610 3.738 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000465423899 989768052 /nfs/dbraw/zinc/76/80/52/989768052.db2.gz AWYCHIVIWOFIEN-NZQKXSOJSA-N 2 0 412.553 3.592 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425254 989769822 /nfs/dbraw/zinc/76/98/22/989769822.db2.gz BETLSWHVHASNNA-WOJBJXKFSA-N 2 0 406.640 3.894 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437834 989783386 /nfs/dbraw/zinc/78/33/86/989783386.db2.gz HNAATCGNIXEMLS-NOZRDPDXSA-N 2 0 420.601 3.987 20 0 HHADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000471580402 989784282 /nfs/dbraw/zinc/78/42/82/989784282.db2.gz HOSHTAKWOZFYBZ-LJQANCHMSA-N 2 0 420.557 3.743 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000465457587 989797401 /nfs/dbraw/zinc/79/74/01/989797401.db2.gz XCYXDKICLUCPHI-ISKFKSNPSA-N 2 0 408.590 3.843 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471598051 989800614 /nfs/dbraw/zinc/80/06/14/989800614.db2.gz SZEPUGURMUREMV-DEOSSOPVSA-N 2 0 408.590 3.850 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471605403 989808839 /nfs/dbraw/zinc/80/88/39/989808839.db2.gz LVUIYAPLUZJSGR-QFBILLFUSA-N 2 0 402.583 3.942 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609464 989814414 /nfs/dbraw/zinc/81/44/14/989814414.db2.gz JFUMJSZGDXVIIV-IPJUCJBFSA-N 2 0 418.548 3.603 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471609742 989814657 /nfs/dbraw/zinc/81/46/57/989814657.db2.gz KGHQOFCHWVIALP-ACBHZAAOSA-N 2 0 418.548 3.601 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000465594675 989975193 /nfs/dbraw/zinc/97/51/93/989975193.db2.gz ILVQMJHWRDPQDZ-FPOVZHCZSA-N 2 0 404.599 3.592 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000465598374 989978674 /nfs/dbraw/zinc/97/86/74/989978674.db2.gz MQRRYENEWYBMCJ-XMMPIXPASA-N 2 0 408.590 3.672 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000465681061 990066102 /nfs/dbraw/zinc/06/61/02/990066102.db2.gz GXWSPJGUMDEUBJ-QFIPXVFZSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696987 990083248 /nfs/dbraw/zinc/08/32/48/990083248.db2.gz UGINMDCKIVNZCT-FBBABVLZSA-N 2 0 418.582 3.872 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465698838 990085222 /nfs/dbraw/zinc/08/52/22/990085222.db2.gz WPSXTPPYMVWVAQ-OAQYLSRUSA-N 2 0 400.611 3.803 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711159 990096539 /nfs/dbraw/zinc/09/65/39/990096539.db2.gz GQLACGJOHPVKSC-PKTZIBPZSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745794 990130863 /nfs/dbraw/zinc/13/08/63/990130863.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472074972 990235141 /nfs/dbraw/zinc/23/51/41/990235141.db2.gz PWUUJNGIEVTUOR-IEZKXTBUSA-N 2 0 420.601 3.861 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858559 990969861 /nfs/dbraw/zinc/96/98/61/990969861.db2.gz AOPPIDGMEUOAQS-XZOQPEGZSA-N 2 0 400.611 3.805 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932752 991068154 /nfs/dbraw/zinc/06/81/54/991068154.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000466024066 991192843 /nfs/dbraw/zinc/19/28/43/991192843.db2.gz VSAOYYKZQLVLQO-OAQYLSRUSA-N 2 0 412.553 3.551 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000466078798 991253563 /nfs/dbraw/zinc/25/35/63/991253563.db2.gz OEQGDPXMERSYIM-NQIIRXRSSA-N 2 0 404.624 3.791 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466101827 991280697 /nfs/dbraw/zinc/28/06/97/991280697.db2.gz QKOQKGNCIMHUIM-NZQKXSOJSA-N 2 0 400.611 3.803 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107342 991284490 /nfs/dbraw/zinc/28/44/90/991284490.db2.gz URUHQIRRRIBFAU-GHTZIAJQSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466437290 991726074 /nfs/dbraw/zinc/72/60/74/991726074.db2.gz AEWVOCQNRBJSFX-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466525166 991821118 /nfs/dbraw/zinc/82/11/18/991821118.db2.gz GIJQWQRWPMPMAT-ZJSXRUAMSA-N 2 0 420.601 3.955 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000466881816 992203641 /nfs/dbraw/zinc/20/36/41/992203641.db2.gz SWJQYGFEVRQDAW-UHFFFAOYSA-N 2 0 400.611 3.588 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467198411 992522430 /nfs/dbraw/zinc/52/24/30/992522430.db2.gz XUQUCIXFSCDFRL-QFIPXVFZSA-N 2 0 405.627 3.573 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000467354621 992672612 /nfs/dbraw/zinc/67/26/12/992672612.db2.gz NDBXOQVHSAPDSM-SGNDLWITSA-N 2 0 420.601 3.903 20 0 HHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000467370813 992688460 /nfs/dbraw/zinc/68/84/60/992688460.db2.gz RWBUZNWTVQCFCB-SFHVURJKSA-N 2 0 421.511 3.618 20 0 HHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000467386808 992700881 /nfs/dbraw/zinc/70/08/81/992700881.db2.gz ATRXQCLHANKMIZ-INIZCTEOSA-N 2 0 407.480 3.718 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467401169 992708850 /nfs/dbraw/zinc/70/88/50/992708850.db2.gz BMIUASAGVOCXJK-DYESRHJHSA-N 2 0 424.427 3.532 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691246 992947536 /nfs/dbraw/zinc/94/75/36/992947536.db2.gz ANTOFPLSJBYRIB-NAZDKBRTSA-N 2 0 421.585 3.689 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467776144 993015975 /nfs/dbraw/zinc/01/59/75/993015975.db2.gz KHIHTRMWQHKJGK-VWLOTQADSA-N 2 0 420.601 3.957 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467839183 993070954 /nfs/dbraw/zinc/07/09/54/993070954.db2.gz MAEFWVCGELXJLG-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000472096248 993146649 /nfs/dbraw/zinc/14/66/49/993146649.db2.gz RTJUNYYHNSJEAM-NRFANRHFSA-N 2 0 400.611 3.936 20 0 HHADRP CN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472291958 993307397 /nfs/dbraw/zinc/30/73/97/993307397.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 2 0 420.601 3.815 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@H](C)C1 ZINC000480721562 993589588 /nfs/dbraw/zinc/58/95/88/993589588.db2.gz NDZCNEWTAJVFTC-HMFYCAOWSA-N 2 0 402.583 3.758 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3F)cc2)CC1 ZINC000480731816 993598499 /nfs/dbraw/zinc/59/84/99/993598499.db2.gz RKTDDHOXJZVAOW-SFHVURJKSA-N 2 0 415.553 3.831 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)cc2)CC1 ZINC000480733672 993599621 /nfs/dbraw/zinc/59/96/21/993599621.db2.gz BHBWCJGVFPSFFW-IBGZPJMESA-N 2 0 420.601 3.905 20 0 HHADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)c1 ZINC000480741910 993608476 /nfs/dbraw/zinc/60/84/76/993608476.db2.gz PLFCCPDQZBCFAV-IBGZPJMESA-N 2 0 403.368 3.837 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000480769147 993633838 /nfs/dbraw/zinc/63/38/38/993633838.db2.gz LPKACVZSUUUHGT-RUZDIDTESA-N 2 0 403.574 3.983 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+]1C ZINC000480781102 993648506 /nfs/dbraw/zinc/64/85/06/993648506.db2.gz SPUBOKNTBMTCLB-ICSRJNTNSA-N 3 0 412.544 3.680 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472754758 993691356 /nfs/dbraw/zinc/69/13/56/993691356.db2.gz WEJDCLAQGPVVIZ-OAQYLSRUSA-N 2 0 423.605 3.779 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899067 993756333 /nfs/dbraw/zinc/75/63/33/993756333.db2.gz OATUCSAHWHOJST-LJQANCHMSA-N 2 0 421.589 3.569 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480971902 993813169 /nfs/dbraw/zinc/81/31/69/993813169.db2.gz PIROBUNEUSKADC-MRXNPFEDSA-N 2 0 414.575 3.601 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480971901 993813333 /nfs/dbraw/zinc/81/33/33/993813333.db2.gz PIROBUNEUSKADC-INIZCTEOSA-N 2 0 414.575 3.601 20 0 HHADRP C[C@H](CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000472994614 993924121 /nfs/dbraw/zinc/92/41/21/993924121.db2.gz QGGKCDSHLPXXGS-GOSISDBHSA-N 2 0 400.542 3.597 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175821 994005743 /nfs/dbraw/zinc/00/57/43/994005743.db2.gz NBCYFZXPZMHGHD-QFBILLFUSA-N 2 0 401.938 3.787 20 0 HHADRP O=C(CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000481191081 994023013 /nfs/dbraw/zinc/02/30/13/994023013.db2.gz NSWZPYMJFJIQHV-XZOQPEGZSA-N 2 0 406.574 3.511 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209753 994042828 /nfs/dbraw/zinc/04/28/28/994042828.db2.gz PGLWTNSVYRICDX-DCEDVJGZSA-N 2 0 411.565 3.699 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305459 994122078 /nfs/dbraw/zinc/12/20/78/994122078.db2.gz GKUALWJKVUZPPD-QZTJIDSGSA-N 2 0 404.514 3.942 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000481544280 994376324 /nfs/dbraw/zinc/37/63/24/994376324.db2.gz GOANOEQIPWHYAG-GOSISDBHSA-N 2 0 401.576 3.621 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000481736932 994593369 /nfs/dbraw/zinc/59/33/69/994593369.db2.gz OLKIFPADEKBKGR-LJQANCHMSA-N 2 0 415.603 3.822 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC000473827121 994757263 /nfs/dbraw/zinc/75/72/63/994757263.db2.gz HEFULTRMYRKIEM-NHCUHLMSSA-N 2 0 415.626 3.708 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2)CC1 ZINC000473828546 994758793 /nfs/dbraw/zinc/75/87/93/994758793.db2.gz JVXCWSSRDGSJRE-UHFFFAOYSA-N 2 0 421.589 3.568 20 0 HHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915201 994786708 /nfs/dbraw/zinc/78/67/08/994786708.db2.gz LMQSJINTAFCPMI-APWZRJJASA-N 2 0 416.031 3.801 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473873984 994815761 /nfs/dbraw/zinc/81/57/61/994815761.db2.gz KWGYEFPFFDAGIR-PMACEKPBSA-N 2 0 400.611 3.563 20 0 HHADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473875476 994819542 /nfs/dbraw/zinc/81/95/42/994819542.db2.gz NQMMYUMBTFMZGI-REWPJTCUSA-N 2 0 400.611 3.974 20 0 HHADRP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000481997511 994898915 /nfs/dbraw/zinc/89/89/15/994898915.db2.gz HWKZOGMPFNOXLB-UHFFFAOYSA-N 2 0 412.530 3.668 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000474069119 995055497 /nfs/dbraw/zinc/05/54/97/995055497.db2.gz ZIBBPUMGHAJNOO-OAQYLSRUSA-N 2 0 401.595 3.634 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)c(Br)c1 ZINC000482238412 995220763 /nfs/dbraw/zinc/22/07/63/995220763.db2.gz LNBBRLULDKVQKV-CQSZACIVSA-N 2 0 422.342 3.730 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482349713 995328340 /nfs/dbraw/zinc/32/83/40/995328340.db2.gz IAHTUYXYRWWKBG-SFHVURJKSA-N 2 0 412.441 3.849 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000474473244 995433831 /nfs/dbraw/zinc/43/38/31/995433831.db2.gz UBFLMSLLZZGRLD-RTBURBONSA-N 2 0 408.521 3.910 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000474473241 995433946 /nfs/dbraw/zinc/43/39/46/995433946.db2.gz UBFLMSLLZZGRLD-OALUTQOASA-N 2 0 408.521 3.910 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000474484603 995442046 /nfs/dbraw/zinc/44/20/46/995442046.db2.gz LJMHYBULLIPJSU-UHFFFAOYSA-N 2 0 415.622 3.999 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000482460502 995464168 /nfs/dbraw/zinc/46/41/68/995464168.db2.gz PUKHUQWCVXDJKG-QGZVFWFLSA-N 2 0 407.484 3.748 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474519656 995483361 /nfs/dbraw/zinc/48/33/61/995483361.db2.gz RGKDHYMOVKRMHX-NPHXMPSESA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482490659 995500279 /nfs/dbraw/zinc/50/02/79/995500279.db2.gz YRWXEIHHKOUQFG-LPHOPBHVSA-N 2 0 410.400 3.526 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482506153 995515984 /nfs/dbraw/zinc/51/59/84/995515984.db2.gz PHRADKYWYQBORB-CPJSRVTESA-N 2 0 413.581 3.981 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482506154 995516074 /nfs/dbraw/zinc/51/60/74/995516074.db2.gz PHRADKYWYQBORB-NBGIEHNGSA-N 2 0 413.581 3.981 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482533637 995541756 /nfs/dbraw/zinc/54/17/56/995541756.db2.gz IDWKCQWPJJSDCD-CQSZACIVSA-N 2 0 407.452 3.568 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482545991 995553862 /nfs/dbraw/zinc/55/38/62/995553862.db2.gz BMWUGSLDNFYRFJ-KRWDZBQOSA-N 2 0 411.525 3.549 20 0 HHADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554796 995561928 /nfs/dbraw/zinc/56/19/28/995561928.db2.gz QFSHAOINOKVZDY-RBBKRZOGSA-N 2 0 409.574 3.812 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(OC)c1OC ZINC000482563509 995569541 /nfs/dbraw/zinc/56/95/41/995569541.db2.gz WMDXMKHANJVHGG-KRWDZBQOSA-N 2 0 414.546 3.520 20 0 HHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482621721 995617256 /nfs/dbraw/zinc/61/72/56/995617256.db2.gz UCCFEAIFZKDBPU-RBUKOAKNSA-N 2 0 412.603 3.570 20 0 HHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631658 995625764 /nfs/dbraw/zinc/62/57/64/995625764.db2.gz OEJPZPVRRUNVIU-ZJSXRUAMSA-N 2 0 407.558 3.560 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653339 995647101 /nfs/dbraw/zinc/64/71/01/995647101.db2.gz WZTUWKKUECYLQR-APWZRJJASA-N 2 0 417.500 3.836 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000474714049 995652980 /nfs/dbraw/zinc/65/29/80/995652980.db2.gz YXUPNHPQMUIIRL-OEMYIYORSA-N 2 0 405.558 3.596 20 0 HHADRP CN(C(=O)Nc1ccccc1CN1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474741537 995674273 /nfs/dbraw/zinc/67/42/73/995674273.db2.gz XPSLAFQAPQVMLO-JOCHJYFZSA-N 2 0 424.614 3.974 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1OC ZINC000474824328 995729526 /nfs/dbraw/zinc/72/95/26/995729526.db2.gz ZBPIQHBLOVAKBI-UXHICEINSA-N 2 0 403.611 3.736 20 0 HHADRP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012583 995869247 /nfs/dbraw/zinc/86/92/47/995869247.db2.gz IYIILISDXQUODU-BJKOFHAPSA-N 2 0 406.574 3.739 20 0 HHADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482968104 995888528 /nfs/dbraw/zinc/88/85/28/995888528.db2.gz YODVCSAYRVFIFZ-UHFFFAOYSA-N 2 0 423.601 3.588 20 0 HHADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050303 995891499 /nfs/dbraw/zinc/89/14/99/995891499.db2.gz VARZNOKRQIAYDB-RXVVDRJESA-N 2 0 411.512 3.936 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475138048 995946751 /nfs/dbraw/zinc/94/67/51/995946751.db2.gz LXUGNLGEDSHZDB-VWLOTQADSA-N 2 0 420.601 3.875 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138455 995947405 /nfs/dbraw/zinc/94/74/05/995947405.db2.gz MLIZMMOEKFRURD-CYFREDJKSA-N 2 0 402.542 3.818 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC(C)(C)[NH2+]1 ZINC000475142928 995950721 /nfs/dbraw/zinc/95/07/21/995950721.db2.gz YPPFLKZVAOHJMO-RUZDIDTESA-N 2 0 412.622 3.993 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475147743 995953569 /nfs/dbraw/zinc/95/35/69/995953569.db2.gz HRLHPPIWSKJKAU-AREMUKBSSA-N 2 0 420.601 3.946 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000483342771 996111709 /nfs/dbraw/zinc/11/17/09/996111709.db2.gz XSQOWWPFSWFJPI-UHFFFAOYSA-N 2 0 416.635 3.760 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000483429820 996173650 /nfs/dbraw/zinc/17/36/50/996173650.db2.gz HGWXQZFPZCFRFN-UHFFFAOYSA-N 2 0 412.578 3.585 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462852 996196357 /nfs/dbraw/zinc/19/63/57/996196357.db2.gz BALXCVUHDGDPNC-RBBKRZOGSA-N 2 0 421.541 3.730 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495441 996217444 /nfs/dbraw/zinc/21/74/44/996217444.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 2 0 424.585 3.559 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000483515091 996227301 /nfs/dbraw/zinc/22/73/01/996227301.db2.gz UPRNLIADUATZRV-HXUWFJFHSA-N 2 0 415.626 3.817 20 0 HHADRP Cc1c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000483516533 996227916 /nfs/dbraw/zinc/22/79/16/996227916.db2.gz YHULZVYFCJVDIN-IBGZPJMESA-N 2 0 413.585 3.921 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000483614288 996286658 /nfs/dbraw/zinc/28/66/58/996286658.db2.gz IUFWGMQTRGSCCK-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP O[C@@H](COCc1ccccc1F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727014 996326463 /nfs/dbraw/zinc/32/64/63/996326463.db2.gz BRIGFQAPHRIBGC-ILBGXUMGSA-N 2 0 412.549 3.691 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000483755452 996367645 /nfs/dbraw/zinc/36/76/45/996367645.db2.gz JCPRYPQDDQHJDV-LJQANCHMSA-N 2 0 418.582 3.530 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000483808250 996401655 /nfs/dbraw/zinc/40/16/55/996401655.db2.gz YILXULFARLOJHK-UHFFFAOYSA-N 2 0 410.672 3.502 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Br)cc2)[C@H](C)C1 ZINC000483834888 996417136 /nfs/dbraw/zinc/41/71/36/996417136.db2.gz KWJNCKUAQHBDOD-UWVAXJGDSA-N 2 0 413.400 3.943 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483887253 996449629 /nfs/dbraw/zinc/44/96/29/996449629.db2.gz RKFPZFAEIJUXIM-BVSLBCMMSA-N 2 0 410.562 3.626 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000475982450 996513847 /nfs/dbraw/zinc/51/38/47/996513847.db2.gz IHGYPEROLJBYNW-HSZRJFAPSA-N 2 0 400.611 3.948 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000476063258 996575546 /nfs/dbraw/zinc/57/55/46/996575546.db2.gz QBPKUQURRDQRLM-HSZRJFAPSA-N 2 0 412.622 3.633 20 0 HHADRP Cc1cccc([C@H](C)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000484149705 996600644 /nfs/dbraw/zinc/60/06/44/996600644.db2.gz WQMSBAFRWCRAHL-UXHICEINSA-N 2 0 417.619 3.679 20 0 HHADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000484300476 996689221 /nfs/dbraw/zinc/68/92/21/996689221.db2.gz JRAHZPKGXOOFBE-LJQANCHMSA-N 2 0 403.611 3.999 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000484331994 996708796 /nfs/dbraw/zinc/70/87/96/996708796.db2.gz YAGQASMNQLQHIO-JPYJTQIMSA-N 2 0 407.558 3.529 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000484331996 996709192 /nfs/dbraw/zinc/70/91/92/996709192.db2.gz YAGQASMNQLQHIO-WZONZLPQSA-N 2 0 407.558 3.529 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476876009 997453751 /nfs/dbraw/zinc/45/37/51/997453751.db2.gz CDKFWIURRGUCAN-UHFFFAOYSA-N 2 0 412.578 3.929 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000476932152 997546541 /nfs/dbraw/zinc/54/65/41/997546541.db2.gz VRJSHUNXBILJAG-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP COc1ccc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(OC)c1 ZINC000476991660 997618567 /nfs/dbraw/zinc/61/85/67/997618567.db2.gz ZBJLRBIHSXKHMR-GOSISDBHSA-N 2 0 403.567 3.619 20 0 HHADRP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476995399 997624184 /nfs/dbraw/zinc/62/41/84/997624184.db2.gz NLDXILJEKIETCO-RBUKOAKNSA-N 2 0 403.636 3.998 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@H]21 ZINC000485309386 997718802 /nfs/dbraw/zinc/71/88/02/997718802.db2.gz QLUILISEMYLTTC-NRSPTQNISA-N 2 0 404.986 3.603 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397057 997826497 /nfs/dbraw/zinc/82/64/97/997826497.db2.gz QOGMAKAGWABNOU-HBMCJLEFSA-N 2 0 400.611 3.648 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000485397059 997826669 /nfs/dbraw/zinc/82/66/69/997826669.db2.gz QOGMAKAGWABNOU-QHAWAJNXSA-N 2 0 400.611 3.648 20 0 HHADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485410179 997842971 /nfs/dbraw/zinc/84/29/71/997842971.db2.gz STIOIJGEFOKHCT-PMACEKPBSA-N 2 0 417.594 3.625 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465665 997910934 /nfs/dbraw/zinc/91/09/34/997910934.db2.gz OGNVOYMDTLXLJE-XUVXKRRUSA-N 2 0 404.624 3.647 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000477293619 997979690 /nfs/dbraw/zinc/97/96/90/997979690.db2.gz APYYFXVWXZFQAR-CWAQXLGLSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000478002086 998708256 /nfs/dbraw/zinc/70/82/56/998708256.db2.gz ZSTVKARPNDJZBD-CTNGQTDRSA-N 2 0 400.567 3.642 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000478008591 998710835 /nfs/dbraw/zinc/71/08/35/998710835.db2.gz DDALUVRRDWJFSE-DEOSSOPVSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472024 998784620 /nfs/dbraw/zinc/78/46/20/998784620.db2.gz AWUBACZJTXLBEW-REWPJTCUSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472023 998784686 /nfs/dbraw/zinc/78/46/86/998784686.db2.gz AWUBACZJTXLBEW-OFNKIYASSA-N 2 0 412.622 3.851 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567138 998830445 /nfs/dbraw/zinc/83/04/45/998830445.db2.gz PBFAVNPNZAIKAQ-PGRDOPGGSA-N 2 0 406.530 3.957 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478340122 998900668 /nfs/dbraw/zinc/90/06/68/998900668.db2.gz MCTUUEZSDOHZBQ-UHFFFAOYSA-N 2 0 418.029 3.940 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000478579039 999032314 /nfs/dbraw/zinc/03/23/14/999032314.db2.gz IQCZZBMBWIAHJG-QZTJIDSGSA-N 2 0 410.562 3.659 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487213250 999098814 /nfs/dbraw/zinc/09/88/14/999098814.db2.gz VJVGXOXWSLVHNR-AVCGJXAMSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520374 999206527 /nfs/dbraw/zinc/20/65/27/999206527.db2.gz PJSOZOGSPLTCBL-BWKNWUBXSA-N 2 0 420.601 3.861 20 0 HHADRP NC(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(Br)c1 ZINC000479044273 999263924 /nfs/dbraw/zinc/26/39/24/999263924.db2.gz ZMTZTIGVIOWHCL-SFHVURJKSA-N 2 0 422.392 3.539 20 0 HHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479049716 999267109 /nfs/dbraw/zinc/26/71/09/999267109.db2.gz BLJJWNOEAPVSJD-AWEZNQCLSA-N 2 0 422.422 3.948 20 0 HHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479049717 999267246 /nfs/dbraw/zinc/26/72/46/999267246.db2.gz BLJJWNOEAPVSJD-CQSZACIVSA-N 2 0 422.422 3.948 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CC2 ZINC000479059714 999273551 /nfs/dbraw/zinc/27/35/51/999273551.db2.gz LLQQVYBJTJOSHC-KKSFZXQISA-N 2 0 413.537 3.933 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073725 999280890 /nfs/dbraw/zinc/28/08/90/999280890.db2.gz YEJFYKRXEYOGRM-MGPUTAFESA-N 2 0 412.391 3.903 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073365 999280917 /nfs/dbraw/zinc/28/09/17/999280917.db2.gz XUFUTZMPOHJVQL-DHIUTWEWSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000487980468 999335349 /nfs/dbraw/zinc/33/53/49/999335349.db2.gz UBGLXLPWCMXOAX-QHCPKHFHSA-N 2 0 401.570 3.907 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479264077 999353893 /nfs/dbraw/zinc/35/38/93/999353893.db2.gz SVNBVSNMMLLIQD-CYBMUJFWSA-N 2 0 408.306 3.756 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[NH+]1CCN(Cc3ccccc3)CC1)CC2 ZINC000479332469 999389553 /nfs/dbraw/zinc/38/95/53/999389553.db2.gz FNAYQILORXJATP-XMMPIXPASA-N 2 0 423.601 3.879 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000479335907 999391314 /nfs/dbraw/zinc/39/13/14/999391314.db2.gz MYJSKKXDVGPXLT-GOTSBHOMSA-N 2 0 409.574 3.660 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479341951 999394628 /nfs/dbraw/zinc/39/46/28/999394628.db2.gz HEDBMWKJBXVHMA-VWLOTQADSA-N 2 0 415.585 3.787 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000488378435 999465425 /nfs/dbraw/zinc/46/54/25/999465425.db2.gz VSNVQYPTMNBDBE-KRWDZBQOSA-N 2 0 402.608 3.697 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506564 999511537 /nfs/dbraw/zinc/51/15/37/999511537.db2.gz ZJVHZMYRNNVDKJ-OFVILXPXSA-N 2 0 405.586 3.925 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527803 999518561 /nfs/dbraw/zinc/51/85/61/999518561.db2.gz DUTHNFSOQCZBQT-RDPSFJRHSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488551364 999524961 /nfs/dbraw/zinc/52/49/61/999524961.db2.gz UIBJQZKSMLKXNA-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666276 999564351 /nfs/dbraw/zinc/56/43/51/999564351.db2.gz FKFNWZJMONFZBH-QPPBQGQZSA-N 2 0 420.601 3.782 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000489140516 999710353 /nfs/dbraw/zinc/71/03/53/999710353.db2.gz PODMZCDOARQAQW-VJBMBRPKSA-N 2 0 424.589 3.935 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000489254467 999730922 /nfs/dbraw/zinc/73/09/22/999730922.db2.gz INUBAKWJEXFKBF-UHFFFAOYSA-N 2 0 406.640 3.868 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279277 999735870 /nfs/dbraw/zinc/73/58/70/999735870.db2.gz UOUPZAXUXZJPER-HSZRJFAPSA-N 2 0 412.578 3.888 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290220 999738319 /nfs/dbraw/zinc/73/83/19/999738319.db2.gz AZPCMBUNJHDSAJ-SXSPYAJSSA-N 2 0 412.553 3.638 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)c1 ZINC000480228933 999750899 /nfs/dbraw/zinc/75/08/99/999750899.db2.gz RZLSKUPIIRKNST-KCWXNJEJSA-N 2 0 413.631 3.985 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000480233319 999752261 /nfs/dbraw/zinc/75/22/61/999752261.db2.gz UZOBICCLVWPEFP-LNUJOPTRSA-N 2 0 400.588 3.884 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480252847 999756891 /nfs/dbraw/zinc/75/68/91/999756891.db2.gz FUACAXGVGCWDRX-LJQANCHMSA-N 2 0 415.603 3.774 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)cc1 ZINC000489400161 999759355 /nfs/dbraw/zinc/75/93/55/999759355.db2.gz JNFCOBFDGSOLCC-QDSKXPNFSA-N 2 0 408.590 3.808 20 0 HHADRP COc1ccccc1[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000489421080 999763832 /nfs/dbraw/zinc/76/38/32/999763832.db2.gz GLNVUQXGGQBAHA-SZPZYZBQSA-N 2 0 424.585 3.999 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430282 999765768 /nfs/dbraw/zinc/76/57/68/999765768.db2.gz GRDODQKTCQKTIN-NJDAHSKKSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441930 999768117 /nfs/dbraw/zinc/76/81/17/999768117.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000489444498 999768908 /nfs/dbraw/zinc/76/89/08/999768908.db2.gz XXVWJKIAQYDEGM-YSZBQJHXSA-N 2 0 412.553 3.638 20 0 HHADRP c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000489461952 999772324 /nfs/dbraw/zinc/77/23/24/999772324.db2.gz ZKQPGBAOWZEIKI-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543442 999788701 /nfs/dbraw/zinc/78/87/01/999788701.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 2 0 408.590 3.813 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Br)c(F)c3)cn2)CC1 ZINC000489614839 999803200 /nfs/dbraw/zinc/80/32/00/999803200.db2.gz ZUKWLMUQHAQARE-HNNXBMFYSA-N 2 0 421.358 3.976 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480468265 999806174 /nfs/dbraw/zinc/80/61/74/999806174.db2.gz OABFSVDKMWULBY-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)C[C@@H](C)O1 ZINC000480522156 999817765 /nfs/dbraw/zinc/81/77/65/999817765.db2.gz CJWCQVMUGOQRDX-TXTKFYIRSA-N 2 0 413.606 3.567 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000480528635 999819120 /nfs/dbraw/zinc/81/91/20/999819120.db2.gz NRQZTGCNOOLOIN-RTBURBONSA-N 2 0 410.400 3.524 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000480537403 999821200 /nfs/dbraw/zinc/82/12/00/999821200.db2.gz PEYRVTAEFWEEKR-NQIIRXRSSA-N 2 0 400.636 3.965 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480554668 999825359 /nfs/dbraw/zinc/82/53/59/999825359.db2.gz OFALSKJZWXRBLD-LJQANCHMSA-N 2 0 402.583 3.942 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489774031 999835660 /nfs/dbraw/zinc/83/56/60/999835660.db2.gz GINZFMGATFZCQT-MOPGFXCFSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480594720 999836216 /nfs/dbraw/zinc/83/62/16/999836216.db2.gz MNPLWZFHSSBLCQ-ATIYNZHBSA-N 2 0 407.602 3.950 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480621549 999843089 /nfs/dbraw/zinc/84/30/89/999843089.db2.gz FMCYHQCXLGOWLG-QFBILLFUSA-N 2 0 402.583 3.942 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489829800 999845415 /nfs/dbraw/zinc/84/54/15/999845415.db2.gz JNTYSJVFDCNEQG-JTHBVZDNSA-N 2 0 400.611 3.708 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000480635526 999846916 /nfs/dbraw/zinc/84/69/16/999846916.db2.gz ATHFDSCCNDPMAU-MOPGFXCFSA-N 2 0 415.603 3.820 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000489886333 999855197 /nfs/dbraw/zinc/85/51/97/999855197.db2.gz MCDUTECEBHVXCA-HSZRJFAPSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000480693681 999861217 /nfs/dbraw/zinc/86/12/17/999861217.db2.gz MUSVZGUJUYAFKQ-IBGZPJMESA-N 2 0 424.589 3.642 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000480695218 999861437 /nfs/dbraw/zinc/86/14/37/999861437.db2.gz QUIWPUMJFSCVDZ-JOCHJYFZSA-N 2 0 417.601 3.920 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(Br)ccc43)cn2)CC1 ZINC000480696436 999861678 /nfs/dbraw/zinc/86/16/78/999861678.db2.gz XGHKDQMXGSYGQR-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000480713421 999865931 /nfs/dbraw/zinc/86/59/31/999865931.db2.gz MEOZHJRKTKJJJK-HXUWFJFHSA-N 2 0 422.495 3.720 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056901 999886421 /nfs/dbraw/zinc/88/64/21/999886421.db2.gz IGKONGGIVSTFRS-GMAHTHKFSA-N 2 0 407.558 3.784 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056899 999886489 /nfs/dbraw/zinc/88/64/89/999886489.db2.gz IGKONGGIVSTFRS-GGAORHGYSA-N 2 0 407.558 3.784 20 0 HHADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993364 1000031577 /nfs/dbraw/zinc/03/15/77/1000031577.db2.gz GJFDWGJYCFBTSE-BWKNWUBXSA-N 2 0 420.601 3.640 20 0 HHADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491073952 1000042454 /nfs/dbraw/zinc/04/24/54/1000042454.db2.gz GOBVFJHDOGFOQC-IBGZPJMESA-N 2 0 408.546 3.567 20 0 HHADRP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491336718 1000066417 /nfs/dbraw/zinc/06/64/17/1000066417.db2.gz WSDNWTAUVJVFJW-SIKLNZKXSA-N 2 0 424.593 3.839 20 0 HHADRP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491336717 1000066521 /nfs/dbraw/zinc/06/65/21/1000066521.db2.gz WSDNWTAUVJVFJW-KNQAVFIVSA-N 2 0 424.593 3.839 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491341689 1000066662 /nfs/dbraw/zinc/06/66/62/1000066662.db2.gz FTVUKJLKLKGIHQ-OAQYLSRUSA-N 2 0 420.370 3.905 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000491595734 1000087545 /nfs/dbraw/zinc/08/75/45/1000087545.db2.gz CYPHQLLWFCZARP-GOSISDBHSA-N 2 0 408.546 3.844 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492426256 1000126581 /nfs/dbraw/zinc/12/65/81/1000126581.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 2 0 420.601 3.513 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038434 1000155142 /nfs/dbraw/zinc/15/51/42/1000155142.db2.gz VOILXECLKQOYQU-HHHXNRCGSA-N 2 0 417.597 3.909 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1)C1CCOCC1 ZINC000493823945 1000196061 /nfs/dbraw/zinc/19/60/61/1000196061.db2.gz SDFSSELVOKXNLY-QFIPXVFZSA-N 2 0 410.558 3.660 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000493900445 1000205038 /nfs/dbraw/zinc/20/50/38/1000205038.db2.gz MAEQGVGZHXJFSK-YZGWKJHDSA-N 2 0 409.496 3.504 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504915565 1000446165 /nfs/dbraw/zinc/44/61/65/1000446165.db2.gz URKYKKBCLUOBSL-NRFANRHFSA-N 2 0 410.562 3.550 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000495081768 1000819200 /nfs/dbraw/zinc/81/92/00/1000819200.db2.gz VLKTXZDMNGPQOB-IEBWSBKVSA-N 2 0 405.995 3.862 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000505726793 1000995035 /nfs/dbraw/zinc/99/50/35/1000995035.db2.gz NARSMEAVGBXKRJ-YGOYIFOWSA-N 2 0 424.589 3.823 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750772 1001005989 /nfs/dbraw/zinc/00/59/89/1001005989.db2.gz VFVJJMWWQSIOFV-HXUWFJFHSA-N 2 0 414.619 3.530 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783849 1001022084 /nfs/dbraw/zinc/02/20/84/1001022084.db2.gz LYYVTECLUOGKRO-MRXNPFEDSA-N 2 0 421.582 3.675 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000505796079 1001029986 /nfs/dbraw/zinc/02/99/86/1001029986.db2.gz NSPRYDNADTTXNV-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505891256 1001083892 /nfs/dbraw/zinc/08/38/92/1001083892.db2.gz IVNSOTLKIZTNBE-FGZHOGPDSA-N 2 0 413.512 3.535 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496249192 1001147363 /nfs/dbraw/zinc/14/73/63/1001147363.db2.gz YUVUGWHYYRTWFI-YKSBVNFPSA-N 2 0 424.589 3.652 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506173929 1001260059 /nfs/dbraw/zinc/26/00/59/1001260059.db2.gz OCUMHNPHCXELBT-MRXNPFEDSA-N 2 0 422.545 3.576 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000497279370 1001286531 /nfs/dbraw/zinc/28/65/31/1001286531.db2.gz YCHOJMHYICCWDW-LJQANCHMSA-N 2 0 414.594 3.699 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000497320099 1001291209 /nfs/dbraw/zinc/29/12/09/1001291209.db2.gz UHTOLSHIZXNFCG-LJQANCHMSA-N 2 0 423.557 3.951 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000506309182 1001344737 /nfs/dbraw/zinc/34/47/37/1001344737.db2.gz JVAUIPDHRSIQTF-UHFFFAOYSA-N 2 0 420.601 3.611 20 0 HHADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470536 1001426915 /nfs/dbraw/zinc/42/69/15/1001426915.db2.gz SIFURNFRHVISOO-UNMCSNQZSA-N 2 0 413.537 3.892 20 0 HHADRP CC(C)[C@H](c1ccccc1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000497597880 1001452699 /nfs/dbraw/zinc/45/26/99/1001452699.db2.gz HKAYSJORZIOTFC-HSZRJFAPSA-N 2 0 409.578 3.632 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000497607579 1001456761 /nfs/dbraw/zinc/45/67/61/1001456761.db2.gz MVFZITZLCHSFBD-VGOFRKELSA-N 2 0 400.542 3.686 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690674 1001486144 /nfs/dbraw/zinc/48/61/44/1001486144.db2.gz JZONRNXROZXOCR-CEMLEFRQSA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497851944 1001537259 /nfs/dbraw/zinc/53/72/59/1001537259.db2.gz GUEOVFFZJPTVQY-DYESRHJHSA-N 2 0 420.395 3.995 20 0 HHADRP c1ccc2nc(N3CCCCC3)c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2c1 ZINC000506909890 1001589954 /nfs/dbraw/zinc/58/99/54/1001589954.db2.gz LXAHYLUVHNZKOE-UHFFFAOYSA-N 2 0 408.590 3.769 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000498023473 1001610118 /nfs/dbraw/zinc/61/01/18/1001610118.db2.gz BNILXQHGGMALNG-SIKLNZKXSA-N 2 0 412.603 3.657 20 0 HHADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000498143896 1001661811 /nfs/dbraw/zinc/66/18/11/1001661811.db2.gz FZBJJHGUYGDRLT-WMZHIEFXSA-N 2 0 410.562 3.680 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949421 1001723627 /nfs/dbraw/zinc/72/36/27/1001723627.db2.gz IVHSEFFDPDYSMM-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000506981196 1001744348 /nfs/dbraw/zinc/74/43/48/1001744348.db2.gz BVSIYWRYPACVMW-HNNXBMFYSA-N 2 0 418.916 3.821 20 0 HHADRP CN(c1ccccc1CN1CC[NH+](CCc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000507080430 1001795336 /nfs/dbraw/zinc/79/53/36/1001795336.db2.gz ALBPRMNDWJPMMB-UHFFFAOYSA-N 2 0 412.647 3.639 20 0 HHADRP O=C(C[NH+]1CCC(Cc2ccc(F)cc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000507185122 1001875112 /nfs/dbraw/zinc/87/51/12/1001875112.db2.gz VYROPWIQVZMNDR-UHFFFAOYSA-N 2 0 423.576 3.992 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000507379690 1002035451 /nfs/dbraw/zinc/03/54/51/1002035451.db2.gz JSBQPGDRVYIDPJ-IBGZPJMESA-N 2 0 407.002 3.583 20 0 HHADRP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691475 1002078829 /nfs/dbraw/zinc/07/88/29/1002078829.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 2 0 420.601 3.813 20 0 HHADRP CC[C@H](c1ccccc1)N(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498710265 1002094270 /nfs/dbraw/zinc/09/42/70/1002094270.db2.gz OGBTXXDXEJJYBU-HSZRJFAPSA-N 2 0 409.578 3.777 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717175 1002098976 /nfs/dbraw/zinc/09/89/76/1002098976.db2.gz LVTKGWOWBFAOCL-UNMCSNQZSA-N 2 0 412.578 3.572 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)CC1 ZINC000507510135 1002120364 /nfs/dbraw/zinc/12/03/64/1002120364.db2.gz MFAJLEHCUPPQCO-FTBPSBKWSA-N 2 0 419.617 3.935 20 0 HHADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507510913 1002121688 /nfs/dbraw/zinc/12/16/88/1002121688.db2.gz NNJOIVNWZDXVBS-TWJOJJKGSA-N 2 0 413.565 3.897 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498741778 1002126292 /nfs/dbraw/zinc/12/62/92/1002126292.db2.gz ZZEMORNKUGYNAS-RPWUZVMVSA-N 2 0 409.549 3.640 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507518349 1002128485 /nfs/dbraw/zinc/12/84/85/1002128485.db2.gz CPWSJIYBEHIKLD-NKKJXINNSA-N 2 0 417.553 3.563 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000507560665 1002165725 /nfs/dbraw/zinc/16/57/25/1002165725.db2.gz OVPUIDGELRGQKE-OAQYLSRUSA-N 2 0 415.626 3.867 20 0 HHADRP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)c1 ZINC000498795048 1002180428 /nfs/dbraw/zinc/18/04/28/1002180428.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 2 0 417.597 3.977 20 0 HHADRP CCCCOc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498811910 1002196057 /nfs/dbraw/zinc/19/60/57/1002196057.db2.gz BHXVMXIMDPDNQK-UHFFFAOYSA-N 2 0 411.550 3.594 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(-c2nccs2)c1 ZINC000498814214 1002198523 /nfs/dbraw/zinc/19/85/23/1002198523.db2.gz NUFCRPSEAHBXHE-UHFFFAOYSA-N 2 0 422.558 3.539 20 0 HHADRP Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000498826692 1002211010 /nfs/dbraw/zinc/21/10/10/1002211010.db2.gz JFLMASUJESSHOD-UHFFFAOYSA-N 2 0 421.467 3.743 20 0 HHADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000498917369 1002312709 /nfs/dbraw/zinc/31/27/09/1002312709.db2.gz GOYWPTYWUMZXQA-HNNXBMFYSA-N 2 0 415.500 3.667 20 0 HHADRP Cn1ccnc1[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000507911112 1002445202 /nfs/dbraw/zinc/44/52/02/1002445202.db2.gz YMCYSTUBQUZOBG-DEOSSOPVSA-N 2 0 422.548 3.956 20 0 HHADRP C[N@H+](Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000508161559 1002699130 /nfs/dbraw/zinc/69/91/30/1002699130.db2.gz KHJTWSNYANFEBT-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP O=C(NCCCCC[NH+]1CCCC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508233005 1002759956 /nfs/dbraw/zinc/75/99/56/1002759956.db2.gz ZCHSYTYZTZBRLG-OAQYLSRUSA-N 2 0 411.512 3.823 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000508603417 1003059013 /nfs/dbraw/zinc/05/90/13/1003059013.db2.gz IORPLBVYCBAAJR-WOJBJXKFSA-N 2 0 403.636 3.723 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698065 1003136455 /nfs/dbraw/zinc/13/64/55/1003136455.db2.gz NLTDMMLIAZHKGC-BPUDTRNYSA-N 2 0 407.558 3.804 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)o1 ZINC000508889415 1003317113 /nfs/dbraw/zinc/31/71/13/1003317113.db2.gz DKCHICWZZZYWFL-KNQAVFIVSA-N 2 0 400.567 3.661 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000508894900 1003325115 /nfs/dbraw/zinc/32/51/15/1003325115.db2.gz ONCUEROBNHKBTE-OTPAQWSUSA-N 2 0 416.606 3.956 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000508902794 1003338931 /nfs/dbraw/zinc/33/89/31/1003338931.db2.gz DUBUQGLUJDILCN-HYBUGGRVSA-N 2 0 424.589 3.604 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905476 1003343079 /nfs/dbraw/zinc/34/30/79/1003343079.db2.gz LEYYUIVXCMLXKI-TUACAJSNSA-N 2 0 423.605 3.769 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906762 1003344756 /nfs/dbraw/zinc/34/47/56/1003344756.db2.gz OGRXFTRCRBDUCR-QNWVGRARSA-N 2 0 400.611 3.831 20 0 HHADRP O=C(CSc1ccc2ccccc2c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500023232 1003350103 /nfs/dbraw/zinc/35/01/03/1003350103.db2.gz DDAAMNXKXLYHFD-UHFFFAOYSA-N 2 0 420.582 3.655 20 0 HHADRP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500024101 1003350244 /nfs/dbraw/zinc/35/02/44/1003350244.db2.gz IFBOQKOFIHKQRF-OAQYLSRUSA-N 2 0 424.589 3.609 20 0 HHADRP C[C@@H](Sc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500044063 1003377165 /nfs/dbraw/zinc/37/71/65/1003377165.db2.gz YLKOLKSECIHBFF-QGZVFWFLSA-N 2 0 418.994 3.544 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093262 1003453068 /nfs/dbraw/zinc/45/30/68/1003453068.db2.gz ZCHYVUNWZVHOML-SFHVURJKSA-N 2 0 400.394 3.863 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000500217029 1003558021 /nfs/dbraw/zinc/55/80/21/1003558021.db2.gz HNJOFUJFPOHNCF-CALCHBBNSA-N 2 0 400.485 3.905 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231845 1003641292 /nfs/dbraw/zinc/64/12/92/1003641292.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 2 0 411.512 3.678 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500436951 1003716759 /nfs/dbraw/zinc/71/67/59/1003716759.db2.gz AMGHZWGXHDIABM-QHCPKHFHSA-N 2 0 406.574 3.669 20 0 HHADRP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[NH+]1CCCCC1 ZINC000500444589 1003722963 /nfs/dbraw/zinc/72/29/63/1003722963.db2.gz VAQQVDWLIIXLBX-RBBKRZOGSA-N 2 0 401.595 3.513 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502916 1003750114 /nfs/dbraw/zinc/75/01/14/1003750114.db2.gz PPMMCRHLSDNUPF-OFNKIYASSA-N 2 0 409.574 3.696 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000500660154 1003873355 /nfs/dbraw/zinc/87/33/55/1003873355.db2.gz CMECYFSDIWTLBC-WOJBJXKFSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CCOCC1)c1ccccc1 ZINC000500699786 1003904047 /nfs/dbraw/zinc/90/40/47/1003904047.db2.gz OIYXIMOHIXZCPJ-LJQANCHMSA-N 2 0 410.562 3.770 20 0 HHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)sc1Br ZINC000511990079 1003938953 /nfs/dbraw/zinc/93/89/53/1003938953.db2.gz NNSIWUFIXNLNAB-AWEZNQCLSA-N 2 0 424.408 3.961 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579343 1003957979 /nfs/dbraw/zinc/95/79/79/1003957979.db2.gz TZZQNTRZQNGCFY-PWRODBHTSA-N 2 0 404.599 3.862 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000500816559 1003976512 /nfs/dbraw/zinc/97/65/12/1003976512.db2.gz XPHHWXDIYJMZPP-DEOSSOPVSA-N 2 0 423.605 3.805 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500832841 1003989179 /nfs/dbraw/zinc/98/91/79/1003989179.db2.gz YISQNTYUQVJUGG-NHCUHLMSSA-N 2 0 415.626 3.698 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500832842 1003989337 /nfs/dbraw/zinc/98/93/37/1003989337.db2.gz YISQNTYUQVJUGG-OYRHEFFESA-N 2 0 415.626 3.698 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)C[C@H](C)O1 ZINC000509788453 1004097812 /nfs/dbraw/zinc/09/78/12/1004097812.db2.gz RLLHYGSPXPSATK-PMACEKPBSA-N 2 0 404.558 3.986 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000501001184 1004106443 /nfs/dbraw/zinc/10/64/43/1004106443.db2.gz SNNNYGKEYNIKDC-WMZHIEFXSA-N 2 0 409.578 3.597 20 0 HHADRP CC(C)[C@H](CNC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018117 1004120511 /nfs/dbraw/zinc/12/05/11/1004120511.db2.gz CNWXFEUKDHYAAI-DEOSSOPVSA-N 2 0 408.590 3.786 20 0 HHADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140416 /nfs/dbraw/zinc/14/04/16/1004140416.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 2 0 411.977 3.944 20 0 HHADRP c1ccc(C[N@H+]2CC[C@]3(CCN(CCC[NH+]4CCN(c5ccccc5)CC4)C3)C2)cc1 ZINC000512242590 1004144948 /nfs/dbraw/zinc/14/49/48/1004144948.db2.gz JEZYNXLHKAIVQA-MHZLTWQESA-N 2 0 418.629 3.797 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501052906 1004155349 /nfs/dbraw/zinc/15/53/49/1004155349.db2.gz JZAMQBLPFRUGQF-NHCUHLMSSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512268737 1004169211 /nfs/dbraw/zinc/16/92/11/1004169211.db2.gz TUVICOPUKMMQQM-QRVBRYPASA-N 2 0 400.567 3.701 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068885 1004171496 /nfs/dbraw/zinc/17/14/96/1004171496.db2.gz ASGPMOLTEHLTFH-NFBKMPQASA-N 2 0 400.611 3.660 20 0 HHADRP COCCCn1c(C)cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501084287 1004190086 /nfs/dbraw/zinc/19/00/86/1004190086.db2.gz FAYYKUPYCNKAOX-UHFFFAOYSA-N 2 0 412.578 3.568 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501100654 1004205147 /nfs/dbraw/zinc/20/51/47/1004205147.db2.gz PSDSBLYWTZWNIX-NHCUHLMSSA-N 2 0 414.638 3.906 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172980 1004253953 /nfs/dbraw/zinc/25/39/53/1004253953.db2.gz JNSYTBJDUSLUMB-RTWAWAEBSA-N 2 0 400.592 3.705 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccsc1 ZINC000501173899 1004254488 /nfs/dbraw/zinc/25/44/88/1004254488.db2.gz KUVCKCTUPSAEEE-WOJBJXKFSA-N 2 0 406.571 3.872 20 0 HHADRP Cn1nccc1-c1ccccc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510000906 1004257320 /nfs/dbraw/zinc/25/73/20/1004257320.db2.gz CQOXAZCXOPNXMT-UHFFFAOYSA-N 2 0 403.574 3.779 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512393160 1004266364 /nfs/dbraw/zinc/26/63/64/1004266364.db2.gz OKJIYDVGJKREAK-JRFVFWCSSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512406435 1004275339 /nfs/dbraw/zinc/27/53/39/1004275339.db2.gz PXJCESQNHRYIHK-XUZZJYLKSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[NH+]1Cc1ccccc1 ZINC000512413725 1004281642 /nfs/dbraw/zinc/28/16/42/1004281642.db2.gz ZKCSXKIUOBIPCT-GGAORHGYSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512429609 1004296780 /nfs/dbraw/zinc/29/67/80/1004296780.db2.gz HWHIOCSMCIRKAP-QRVBRYPASA-N 2 0 400.567 3.701 20 0 HHADRP CC[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000501336777 1004355068 /nfs/dbraw/zinc/35/50/68/1004355068.db2.gz WWHURYHUHVKIKX-RUZDIDTESA-N 2 0 420.601 3.919 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[NH+]1CCCC1 ZINC000501388991 1004385053 /nfs/dbraw/zinc/38/50/53/1004385053.db2.gz PRCXBPKJWDIZCC-YADHBBJMSA-N 2 0 416.610 3.642 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000501402315 1004394750 /nfs/dbraw/zinc/39/47/50/1004394750.db2.gz YUHPFYIUJZUHFK-PKTZIBPZSA-N 2 0 416.610 3.642 20 0 HHADRP CC[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000501405917 1004397384 /nfs/dbraw/zinc/39/73/84/1004397384.db2.gz LVZCROAKEYSSRR-JOCHJYFZSA-N 2 0 410.562 3.585 20 0 HHADRP CC[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000501406682 1004397657 /nfs/dbraw/zinc/39/76/57/1004397657.db2.gz PLHYNBBCAHPCAN-RUZDIDTESA-N 2 0 420.601 3.919 20 0 HHADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618267 1004431304 /nfs/dbraw/zinc/43/13/04/1004431304.db2.gz IACZVNHJWFHTPF-FPRSRYDQSA-N 2 0 416.512 3.595 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)C1 ZINC000501472916 1004447201 /nfs/dbraw/zinc/44/72/01/1004447201.db2.gz FYSABNPBIQHLFW-QPTUXGOLSA-N 2 0 406.574 3.595 20 0 HHADRP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512635489 1004447842 /nfs/dbraw/zinc/44/78/42/1004447842.db2.gz HNGKNKZEDFDBQV-QLBJFCOMSA-N 2 0 403.570 3.969 20 0 HHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000512637088 1004449438 /nfs/dbraw/zinc/44/94/38/1004449438.db2.gz RIHRBPBOJMDSLM-CAKRBILKSA-N 2 0 412.618 3.911 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660855 1004471245 /nfs/dbraw/zinc/47/12/45/1004471245.db2.gz OZZQFECGXHBAKY-RJGXRXQPSA-N 2 0 407.606 3.827 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000512687056 1004493697 /nfs/dbraw/zinc/49/36/97/1004493697.db2.gz LSWPXHKICAGUON-ZRZAMGCNSA-N 2 0 400.655 3.635 20 0 HHADRP C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000501546636 1004506187 /nfs/dbraw/zinc/50/61/87/1004506187.db2.gz PPRUAUKWOAKRGW-FQEVSTJZSA-N 2 0 408.590 3.946 20 0 HHADRP CCOc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc(Br)c1O ZINC000512841029 1004601458 /nfs/dbraw/zinc/60/14/58/1004601458.db2.gz PTSZUZKQNFPGQC-UHFFFAOYSA-N 2 0 423.351 3.784 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510484732 1004601768 /nfs/dbraw/zinc/60/17/68/1004601768.db2.gz YMCYYQVJWFWGCD-CTNGQTDRSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501710992 1004631128 /nfs/dbraw/zinc/63/11/28/1004631128.db2.gz USDYNIUXIOLGNR-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000501724642 1004646604 /nfs/dbraw/zinc/64/66/04/1004646604.db2.gz HUNVKMRBZXZAAM-JOCHJYFZSA-N 2 0 410.562 3.554 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544866 1004677564 /nfs/dbraw/zinc/67/75/64/1004677564.db2.gz JQMLJTVCIHLSNP-CMKODMSKSA-N 2 0 404.624 3.837 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000512921427 1004694411 /nfs/dbraw/zinc/69/44/11/1004694411.db2.gz POZBDKIPDJKYES-FQEVSTJZSA-N 2 0 419.491 3.661 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000501792188 1004735407 /nfs/dbraw/zinc/73/54/07/1004735407.db2.gz CISTZKGTKNAYHK-UHFFFAOYSA-N 2 0 410.606 3.931 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501808117 1004748687 /nfs/dbraw/zinc/74/86/87/1004748687.db2.gz WWNMOYJBQRJVLK-XMMPIXPASA-N 2 0 421.589 3.705 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501812203 1004752126 /nfs/dbraw/zinc/75/21/26/1004752126.db2.gz DWUMZNSFAFYZCW-QHCPKHFHSA-N 2 0 421.589 3.787 20 0 HHADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000513063921 1004787020 /nfs/dbraw/zinc/78/70/20/1004787020.db2.gz JKRMDRXUYSHONH-LJQANCHMSA-N 2 0 400.485 3.832 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc32)(N2CCCCC2)CC1 ZINC000510667870 1004789565 /nfs/dbraw/zinc/78/95/65/1004789565.db2.gz IKNONBSZWJWWBA-FQEVSTJZSA-N 2 0 406.412 3.976 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000501946087 1004824241 /nfs/dbraw/zinc/82/42/41/1004824241.db2.gz GMNZJJYBXFDURF-UHFFFAOYSA-N 2 0 413.528 3.717 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000513212392 1004863408 /nfs/dbraw/zinc/86/34/08/1004863408.db2.gz LDQOLMATCWLEBJ-QGZVFWFLSA-N 2 0 417.598 3.744 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000513273823 1004890877 /nfs/dbraw/zinc/89/08/77/1004890877.db2.gz ZMZFOYXWPQQMBD-UHFFFAOYSA-N 2 0 409.574 3.885 20 0 HHADRP CCC[NH+]1CCC(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000510858116 1004894830 /nfs/dbraw/zinc/89/48/30/1004894830.db2.gz AQXSXGFSIYDYSV-UHFFFAOYSA-N 2 0 422.013 3.858 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000502147534 1004923586 /nfs/dbraw/zinc/92/35/86/1004923586.db2.gz KQGJYBGXAKQYTG-SWDXFRIISA-N 2 0 412.500 3.575 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502150446 1004924933 /nfs/dbraw/zinc/92/49/33/1004924933.db2.gz SWMNETLJFPTOMM-ATZDWAIDSA-N 2 0 412.500 3.576 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502167105 1004934555 /nfs/dbraw/zinc/93/45/55/1004934555.db2.gz ATDLKDDUFNDGHU-AYOQOUSVSA-N 2 0 412.500 3.576 20 0 HHADRP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510951207 1004950341 /nfs/dbraw/zinc/95/03/41/1004950341.db2.gz KVLWBJMYNTXIEH-BKVHRCCISA-N 2 0 421.585 3.723 20 0 HHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000513506280 1004995205 /nfs/dbraw/zinc/99/52/05/1004995205.db2.gz PLVMGCIZGNGENU-RBBKRZOGSA-N 2 0 409.574 3.544 20 0 HHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000502493246 1005090970 /nfs/dbraw/zinc/09/09/70/1005090970.db2.gz JCTAINVQCBTYMX-NRFANRHFSA-N 2 0 404.624 3.664 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511254656 1005093852 /nfs/dbraw/zinc/09/38/52/1005093852.db2.gz RJSDYYYXOLDALQ-VQTJNVASSA-N 2 0 413.610 3.521 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000513725557 1005097690 /nfs/dbraw/zinc/09/76/90/1005097690.db2.gz PRKMAEWRHJHMNI-UHFFFAOYSA-N 2 0 422.617 3.943 20 0 HHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511304755 1005116566 /nfs/dbraw/zinc/11/65/66/1005116566.db2.gz GERZJJTZDKSUQR-GHTZIAJQSA-N 2 0 401.620 3.618 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511353374 1005136323 /nfs/dbraw/zinc/13/63/23/1005136323.db2.gz LISMCOXNCABWTP-QHCPKHFHSA-N 2 0 409.599 3.802 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511548193 1005219426 /nfs/dbraw/zinc/21/94/26/1005219426.db2.gz UASGSYAEPFNWPF-ZKMPZPQNSA-N 2 0 420.601 3.686 20 0 HHADRP CCC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000514027573 1005233997 /nfs/dbraw/zinc/23/39/97/1005233997.db2.gz UAUIIWVWFFOMEZ-NOTZXAQLSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000514028078 1005234293 /nfs/dbraw/zinc/23/42/93/1005234293.db2.gz ZKUANFUXVPVZMK-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CC2)CC1 ZINC000502833193 1005237616 /nfs/dbraw/zinc/23/76/16/1005237616.db2.gz SUDRODSITYQBMD-ZDTVFLJBSA-N 2 0 402.627 3.688 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000502863395 1005248744 /nfs/dbraw/zinc/24/87/44/1005248744.db2.gz QCAVKUNAHYDOPY-REWPJTCUSA-N 2 0 416.610 3.786 20 0 HHADRP COc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000514094869 1005262730 /nfs/dbraw/zinc/26/27/30/1005262730.db2.gz MGUSCAVZLKYHFB-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP CO[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000514100680 1005265709 /nfs/dbraw/zinc/26/57/09/1005265709.db2.gz AIVMCNWJXDCVFS-QFIPXVFZSA-N 2 0 422.013 3.732 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000514146272 1005288444 /nfs/dbraw/zinc/28/84/44/1005288444.db2.gz WCNGJFNHDQTILN-HSZRJFAPSA-N 2 0 414.638 3.849 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716132 1005289864 /nfs/dbraw/zinc/28/98/64/1005289864.db2.gz OSOHPZREVPZDDS-WOIUINJBSA-N 2 0 401.620 3.713 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000514235590 1005325467 /nfs/dbraw/zinc/32/54/67/1005325467.db2.gz FSHGQIFCXWFULH-XZOQPEGZSA-N 2 0 415.626 3.588 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239965 1005327429 /nfs/dbraw/zinc/32/74/29/1005327429.db2.gz VAVPICYYZGUIMY-GBXCKJPGSA-N 2 0 406.574 3.570 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000503049861 1005327689 /nfs/dbraw/zinc/32/76/89/1005327689.db2.gz JSKHJWRSDMXKON-MRXNPFEDSA-N 2 0 418.379 3.634 20 0 HHADRP CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065682 1005335354 /nfs/dbraw/zinc/33/53/54/1005335354.db2.gz ZZRDIPFJRKTHFA-DEOSSOPVSA-N 2 0 420.601 3.957 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)c1 ZINC000503327807 1005391141 /nfs/dbraw/zinc/39/11/41/1005391141.db2.gz GOEFPCNMBZXSFU-XMMPIXPASA-N 2 0 408.590 3.502 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)C2)CC1 ZINC000503391286 1005406222 /nfs/dbraw/zinc/40/62/22/1005406222.db2.gz OIIHNGLJODSKMM-OAQYLSRUSA-N 2 0 422.683 3.502 20 0 HHADRP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462723 1005427776 /nfs/dbraw/zinc/42/77/76/1005427776.db2.gz BHZLPXYWFXNTPC-RPWUZVMVSA-N 2 0 414.638 3.751 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)c1 ZINC000503498211 1005437720 /nfs/dbraw/zinc/43/77/20/1005437720.db2.gz JMPHCAPVILOLFO-NFBKMPQASA-N 2 0 416.610 3.596 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)C2)CC1 ZINC000503501697 1005438691 /nfs/dbraw/zinc/43/86/91/1005438691.db2.gz HHDDCQSDKYVZPW-FGZHOGPDSA-N 2 0 416.610 3.960 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000503922697 1005512763 /nfs/dbraw/zinc/51/27/63/1005512763.db2.gz XXSLBCHNNIYFRO-NOTZXAQLSA-N 2 0 400.611 3.942 20 0 HHADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289828 1005590334 /nfs/dbraw/zinc/59/03/34/1005590334.db2.gz PNEMTELSQJBAQK-WOJBJXKFSA-N 2 0 424.511 3.550 20 0 HHADRP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504289827 1005590468 /nfs/dbraw/zinc/59/04/68/1005590468.db2.gz PNEMTELSQJBAQK-VQTJNVASSA-N 2 0 424.511 3.550 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000504402475 1005619366 /nfs/dbraw/zinc/61/93/66/1005619366.db2.gz AMVPZFBKUKPJFP-PKTZIBPZSA-N 2 0 416.610 3.733 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000531118998 1006004160 /nfs/dbraw/zinc/00/41/60/1006004160.db2.gz SJVMSQAWIOLWSQ-UHFFFAOYSA-N 2 0 417.604 3.667 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534057506 1006028805 /nfs/dbraw/zinc/02/88/05/1006028805.db2.gz JJSKQVCHNUTFSZ-GOSISDBHSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)CN1CC[NH+](C)CC1 ZINC000534058460 1006030865 /nfs/dbraw/zinc/03/08/65/1006030865.db2.gz CBWPWEYXWLFMOM-ACJLOTCBSA-N 2 0 400.792 3.563 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000534063792 1006035477 /nfs/dbraw/zinc/03/54/77/1006035477.db2.gz MAEQGVGZHXJFSK-DFQSSKMNSA-N 2 0 409.496 3.504 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514578894 1006045478 /nfs/dbraw/zinc/04/54/78/1006045478.db2.gz IYBSBPVDIZKWOI-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000531207276 1006047012 /nfs/dbraw/zinc/04/70/12/1006047012.db2.gz GSLFYOCGIIUCJF-DENIHFKCSA-N 2 0 412.603 3.867 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000531207277 1006047486 /nfs/dbraw/zinc/04/74/86/1006047486.db2.gz GSLFYOCGIIUCJF-KNQAVFIVSA-N 2 0 412.603 3.867 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169282 /nfs/dbraw/zinc/16/92/82/1006169282.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 2 0 423.601 3.531 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205380 1006197872 /nfs/dbraw/zinc/19/78/72/1006197872.db2.gz ZUDMVVLGTMHECQ-WRWLIDTKSA-N 2 0 410.965 3.501 20 0 HHADRP CC[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000531446252 1006202231 /nfs/dbraw/zinc/20/22/31/1006202231.db2.gz DMWDRDOMEBCVLS-QHCPKHFHSA-N 2 0 406.574 3.560 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534226343 1006223628 /nfs/dbraw/zinc/22/36/28/1006223628.db2.gz KHINQDTWCTXGFX-CBGDNZLLSA-N 2 0 422.976 3.788 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534232092 1006232914 /nfs/dbraw/zinc/23/29/14/1006232914.db2.gz UWAWUQMCHVROCM-NRFANRHFSA-N 2 0 421.585 3.688 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534256429 1006265594 /nfs/dbraw/zinc/26/55/94/1006265594.db2.gz BIHGPOFOXDHJQU-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000534264846 1006273396 /nfs/dbraw/zinc/27/33/96/1006273396.db2.gz CXRFYKYFHMLYRA-NQIIRXRSSA-N 2 0 403.929 3.964 20 0 HHADRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710486 1006370477 /nfs/dbraw/zinc/37/04/77/1006370477.db2.gz REQFMZRKYLNEIR-ZFWWWQNUSA-N 2 0 421.891 3.776 20 0 HHADRP COCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710484 1006370693 /nfs/dbraw/zinc/37/06/93/1006370693.db2.gz REQFMZRKYLNEIR-HIFRSBDPSA-N 2 0 421.891 3.776 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292638 1006380931 /nfs/dbraw/zinc/38/09/31/1006380931.db2.gz MULKIAPBVYUGGJ-REWPJTCUSA-N 2 0 416.610 3.786 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848156 1006468632 /nfs/dbraw/zinc/46/86/32/1006468632.db2.gz JQFGFTHNOCTXDZ-DEOSSOPVSA-N 3 0 420.645 3.871 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866346 1006487012 /nfs/dbraw/zinc/48/70/12/1006487012.db2.gz PECHZLTZTYZTPC-HXUWFJFHSA-N 2 0 422.960 3.875 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940063 1006533431 /nfs/dbraw/zinc/53/34/31/1006533431.db2.gz VBVODXQEUACHHX-OFNKIYASSA-N 2 0 409.574 3.877 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1Cl ZINC000531956140 1006543949 /nfs/dbraw/zinc/54/39/49/1006543949.db2.gz ABXPZGUTFNIWNR-KRWDZBQOSA-N 2 0 404.938 3.910 20 0 HHADRP COC1CC[NH+](C2(CNC3CC[NH+](CCc4ccc(F)cc4)CC3)CCCC2)CC1 ZINC000531975863 1006555063 /nfs/dbraw/zinc/55/50/63/1006555063.db2.gz KNRQGGHJFGGXLX-UHFFFAOYSA-N 2 0 417.613 3.846 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(=O)NC1CCCCC1 ZINC000515756053 1006644159 /nfs/dbraw/zinc/64/41/59/1006644159.db2.gz GPJDDOLFIDPZMR-RTBURBONSA-N 2 0 414.594 3.698 20 0 HHADRP CN(c1ccccc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC000532119868 1006651836 /nfs/dbraw/zinc/65/18/36/1006651836.db2.gz LTHZOROWVAEJGU-UHFFFAOYSA-N 2 0 422.495 3.799 20 0 HHADRP COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388797 1006658582 /nfs/dbraw/zinc/65/85/82/1006658582.db2.gz CHZPQQKFNQBLDH-DFBJGRDBSA-N 2 0 421.585 3.905 20 0 HHADRP COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392814 1006662598 /nfs/dbraw/zinc/66/25/98/1006662598.db2.gz OVCQSRVSQPNXCS-RVSNTGDXSA-N 2 0 407.558 3.515 20 0 HHADRP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837744 1006709621 /nfs/dbraw/zinc/70/96/21/1006709621.db2.gz JTCHNCCQRDPKBW-QHAWAJNXSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)cn2)CC1 ZINC000532197237 1006714192 /nfs/dbraw/zinc/71/41/92/1006714192.db2.gz APJKPWFQODITIX-IBGZPJMESA-N 2 0 419.342 3.512 20 0 HHADRP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532211425 1006724735 /nfs/dbraw/zinc/72/47/35/1006724735.db2.gz CJGWCJRZUOQTTQ-UXHICEINSA-N 2 0 417.619 3.507 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000532221215 1006731266 /nfs/dbraw/zinc/73/12/66/1006731266.db2.gz ZYCRKUDAPAUOKE-OAHLLOKOSA-N 2 0 404.352 3.591 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc3cc(F)ccc3n2C)CC1 ZINC000532296131 1006778909 /nfs/dbraw/zinc/77/89/09/1006778909.db2.gz SROCRIRCAPYPBL-UHFFFAOYSA-N 2 0 409.553 3.577 20 0 HHADRP c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1 ZINC000534793803 1006797454 /nfs/dbraw/zinc/79/74/54/1006797454.db2.gz PRPMGSLZGBQWHI-QFIPXVFZSA-N 2 0 404.514 3.906 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(O[C@H]2CCOC2)c1 ZINC000532359562 1006817120 /nfs/dbraw/zinc/81/71/20/1006817120.db2.gz KUWZGQPCAGBPGC-DEOSSOPVSA-N 2 0 423.601 3.983 20 0 HHADRP Cc1ccnc(OC2CC[NH+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000516109643 1006887861 /nfs/dbraw/zinc/88/78/61/1006887861.db2.gz NTBPKRSSXNGKGU-UHFFFAOYSA-N 2 0 408.590 3.964 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000516215021 1006951592 /nfs/dbraw/zinc/95/15/92/1006951592.db2.gz BTYSZFRNOMOMGW-KRWDZBQOSA-N 2 0 422.411 3.682 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971356 1007028021 /nfs/dbraw/zinc/02/80/21/1007028021.db2.gz NEQBLDXFNHGDFQ-OXQOHEQNSA-N 2 0 410.965 3.644 20 0 HHADRP Fc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1-n1cncn1 ZINC000538762505 1007047531 /nfs/dbraw/zinc/04/75/31/1007047531.db2.gz UBOGCVAEOAPCPG-UHFFFAOYSA-N 2 0 405.521 3.895 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000538852850 1007127083 /nfs/dbraw/zinc/12/70/83/1007127083.db2.gz GKLNYNCUVOXNFB-OAQYLSRUSA-N 2 0 415.607 3.694 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538854022 1007128999 /nfs/dbraw/zinc/12/89/99/1007128999.db2.gz LNPJXLKHCXVWNQ-HSZRJFAPSA-N 2 0 415.626 3.984 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2nc3c(s2)CCCC3)CC1 ZINC000538878780 1007159056 /nfs/dbraw/zinc/15/90/56/1007159056.db2.gz NGZOSDQBLCPGRS-UHFFFAOYSA-N 2 0 405.011 3.759 20 0 HHADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000532763278 1007168476 /nfs/dbraw/zinc/16/84/76/1007168476.db2.gz XATPQLQFXICJRJ-TZIWHRDSSA-N 2 0 409.574 3.981 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCC[N@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000516609054 1007191135 /nfs/dbraw/zinc/19/11/35/1007191135.db2.gz LFEGDFBMJHDQSC-DEOSSOPVSA-N 2 0 424.589 3.653 20 0 HHADRP CCC1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532813862 1007198702 /nfs/dbraw/zinc/19/87/02/1007198702.db2.gz JUYQMOTUHIFZJC-QFIPXVFZSA-N 2 0 400.611 3.662 20 0 HHADRP CCC1(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000532831981 1007215501 /nfs/dbraw/zinc/21/55/01/1007215501.db2.gz NHKMNRHRHKCKOL-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516674983 1007222158 /nfs/dbraw/zinc/22/21/58/1007222158.db2.gz OFXFLZHYRDNIHM-UHFFFAOYSA-N 2 0 405.586 3.722 20 0 HHADRP CN(C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000538945596 1007230289 /nfs/dbraw/zinc/23/02/89/1007230289.db2.gz QIUAATNEDXCQFH-UHFFFAOYSA-N 2 0 423.586 3.893 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000535210465 1007259986 /nfs/dbraw/zinc/25/99/86/1007259986.db2.gz GQASQLWNWNLPRE-DEOSSOPVSA-N 2 0 412.622 3.792 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000516765783 1007279826 /nfs/dbraw/zinc/27/98/26/1007279826.db2.gz QNJQKUUXHFLGTM-UNMCSNQZSA-N 2 0 413.537 3.974 20 0 HHADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882526 1007327681 /nfs/dbraw/zinc/32/76/81/1007327681.db2.gz HWDDBKFYNHQBOH-UFYCRDLUSA-N 2 0 411.512 3.874 20 0 HHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000539063775 1007356833 /nfs/dbraw/zinc/35/68/33/1007356833.db2.gz VDGFOCYQJKBFTG-JVPBZIDWSA-N 2 0 411.384 3.876 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073093 1007363965 /nfs/dbraw/zinc/36/39/65/1007363965.db2.gz HXKPTDGYBZWDGT-HSALFYBXSA-N 2 0 400.567 3.539 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073091 1007364572 /nfs/dbraw/zinc/36/45/72/1007364572.db2.gz HXKPTDGYBZWDGT-AQNXPRMDSA-N 2 0 400.567 3.539 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539073753 1007365230 /nfs/dbraw/zinc/36/52/30/1007365230.db2.gz QNEFEICLYWVMCH-HNNXBMFYSA-N 2 0 402.608 3.891 20 0 HHADRP C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539087436 1007377038 /nfs/dbraw/zinc/37/70/38/1007377038.db2.gz SENCIMIVCGZUSC-WTOYTKOKSA-N 2 0 407.624 3.536 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000517140064 1007454261 /nfs/dbraw/zinc/45/42/61/1007454261.db2.gz BYJIOHNUJJBISX-HSZRJFAPSA-N 2 0 400.611 3.838 20 0 HHADRP CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153960 1007492522 /nfs/dbraw/zinc/49/25/22/1007492522.db2.gz QMDRRGRFVIRUPN-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000517199184 1007499904 /nfs/dbraw/zinc/49/99/04/1007499904.db2.gz KNZGSSFKBGOMMP-INIZCTEOSA-N 2 0 406.368 3.895 20 0 HHADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000539266266 1007561602 /nfs/dbraw/zinc/56/16/02/1007561602.db2.gz YWLBEGISFMXPRO-MZKRTTBSSA-N 2 0 409.574 3.904 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 ZINC000533248125 1007566819 /nfs/dbraw/zinc/56/68/19/1007566819.db2.gz GRVWBXFFDRYHQB-UHFFFAOYSA-N 2 0 406.574 3.983 20 0 HHADRP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000533292360 1007606463 /nfs/dbraw/zinc/60/64/63/1007606463.db2.gz HGZJXEJTAIOOHD-GOSISDBHSA-N 2 0 422.013 3.592 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000539310639 1007608912 /nfs/dbraw/zinc/60/89/12/1007608912.db2.gz GPJFESPVPLKYHU-IAGOWNOFSA-N 2 0 416.516 3.785 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000539312175 1007610865 /nfs/dbraw/zinc/61/08/65/1007610865.db2.gz IOSYRKRVNQUALD-SFHVURJKSA-N 2 0 416.585 3.552 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1F ZINC000535675500 1007699621 /nfs/dbraw/zinc/69/96/21/1007699621.db2.gz KFVSFAVSBRCIIX-FQEVSTJZSA-N 2 0 406.933 3.643 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)ccn1 ZINC000535688873 1007722082 /nfs/dbraw/zinc/72/20/82/1007722082.db2.gz APGYLEIIZREFMV-UHFFFAOYSA-N 2 0 407.562 3.795 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535703408 1007740685 /nfs/dbraw/zinc/74/06/85/1007740685.db2.gz ZMBHMIIQHATOPI-XLIONFOSSA-N 2 0 410.965 3.647 20 0 HHADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000539496556 1007807503 /nfs/dbraw/zinc/80/75/03/1007807503.db2.gz NZYULJBRILPETI-KXBFYZLASA-N 2 0 400.380 3.903 20 0 HHADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000539496552 1007807671 /nfs/dbraw/zinc/80/76/71/1007807671.db2.gz NZYULJBRILPETI-BEFAXECRSA-N 2 0 400.380 3.903 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613014 1007818949 /nfs/dbraw/zinc/81/89/49/1007818949.db2.gz RBUVQXTYDFFTIR-REWPJTCUSA-N 2 0 401.595 3.847 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731797 1007935532 /nfs/dbraw/zinc/93/55/32/1007935532.db2.gz VQDAWEYIWAWVJH-CTNGQTDRSA-N 2 0 410.562 3.721 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000517731801 1007936751 /nfs/dbraw/zinc/93/67/51/1007936751.db2.gz VQDAWEYIWAWVJH-PZJWPPBQSA-N 2 0 410.562 3.721 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000535937357 1007967237 /nfs/dbraw/zinc/96/72/37/1007967237.db2.gz NHTXERMVWYFAIG-SFLYRZDNSA-N 2 0 412.622 3.660 20 0 HHADRP CN(c1ccccc1C[NH2+]CCCc1nc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000539704611 1008024087 /nfs/dbraw/zinc/02/40/87/1008024087.db2.gz ZLFPRXKCXFSHND-UHFFFAOYSA-N 2 0 405.590 3.826 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+]2CCCCC2)cc1 ZINC000517884297 1008028508 /nfs/dbraw/zinc/02/85/08/1008028508.db2.gz NVNBHBXJHNEJAY-NZQKXSOJSA-N 2 0 416.610 3.642 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000517912311 1008053185 /nfs/dbraw/zinc/05/31/85/1008053185.db2.gz YTXLTSAKVHLNFI-NFBKMPQASA-N 2 0 400.611 3.981 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536100533 1008124925 /nfs/dbraw/zinc/12/49/25/1008124925.db2.gz VWNHIRNWKMZRRP-UPVQGACJSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518064977 1008139885 /nfs/dbraw/zinc/13/98/85/1008139885.db2.gz SZDLKNYFTHCJII-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP Cn1c(CCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc2ccccc21 ZINC000539952917 1008203132 /nfs/dbraw/zinc/20/31/32/1008203132.db2.gz WSPBKROEIYGEBJ-UHFFFAOYSA-N 2 0 411.981 3.701 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000539953628 1008203892 /nfs/dbraw/zinc/20/38/92/1008203892.db2.gz LQGOOFAEITZUEX-UHFFFAOYSA-N 2 0 409.578 3.591 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000539954654 1008204254 /nfs/dbraw/zinc/20/42/54/1008204254.db2.gz HITYCCCRINQFEE-UHFFFAOYSA-N 2 0 409.578 3.591 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958644 1008233655 /nfs/dbraw/zinc/23/36/55/1008233655.db2.gz ZJNQDZAVJJXING-FIXSFTCYSA-N 2 0 422.573 3.577 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540013138 1008236744 /nfs/dbraw/zinc/23/67/44/1008236744.db2.gz FIJAHTMPBWBXMQ-NRFANRHFSA-N 2 0 415.626 3.984 20 0 HHADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045553 1008254877 /nfs/dbraw/zinc/25/48/77/1008254877.db2.gz RCHOOKGJSKCTHX-GOSISDBHSA-N 2 0 414.981 3.978 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COCc1ccccc1Cl ZINC000540046396 1008255608 /nfs/dbraw/zinc/25/56/08/1008255608.db2.gz AMYYPQNDONHDGH-JOCHJYFZSA-N 2 0 417.981 3.851 20 0 HHADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000518444997 1008309370 /nfs/dbraw/zinc/30/93/70/1008309370.db2.gz NROFPCCYJCWQCF-LJQANCHMSA-N 2 0 414.619 3.780 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@@H](C)C1 ZINC000540170153 1008320692 /nfs/dbraw/zinc/32/06/92/1008320692.db2.gz WKHRVFFDLVOOHE-GBXCKJPGSA-N 2 0 409.574 3.875 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171898 1008321508 /nfs/dbraw/zinc/32/15/08/1008321508.db2.gz GLINUQJUWBDNGF-ZACQAIPSSA-N 2 0 415.500 3.902 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)c(F)c1 ZINC000540175428 1008323072 /nfs/dbraw/zinc/32/30/72/1008323072.db2.gz FSZGOKNBZAHITM-CQSZACIVSA-N 2 0 422.342 3.730 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000540184256 1008326454 /nfs/dbraw/zinc/32/64/54/1008326454.db2.gz YMGGGYFWSLLJKZ-WMZHIEFXSA-N 2 0 402.579 3.804 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264837 1008360526 /nfs/dbraw/zinc/36/05/26/1008360526.db2.gz LWTQDPYBCXTATN-QZTJIDSGSA-N 2 0 401.576 3.559 20 0 HHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000518608009 1008363599 /nfs/dbraw/zinc/36/35/99/1008363599.db2.gz XCZSHWHVLWUOSX-AWEZNQCLSA-N 2 0 410.331 3.644 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000518623355 1008369031 /nfs/dbraw/zinc/36/90/31/1008369031.db2.gz FPFQQNJDEXNDIA-PZJWPPBQSA-N 2 0 415.603 3.548 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540416500 1008423686 /nfs/dbraw/zinc/42/36/86/1008423686.db2.gz QMPPQQOSMMYRAD-IBGZPJMESA-N 2 0 407.986 3.770 20 0 HHADRP CCC(CC)[C@@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461404 1008441134 /nfs/dbraw/zinc/44/11/34/1008441134.db2.gz OOVXGDJLSXWVIN-XZOQPEGZSA-N 2 0 415.622 3.701 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1O2 ZINC000540468448 1008443167 /nfs/dbraw/zinc/44/31/67/1008443167.db2.gz QPNKEJKOMWNYKD-RPWUZVMVSA-N 2 0 421.585 3.638 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493457 1008453775 /nfs/dbraw/zinc/45/37/75/1008453775.db2.gz ADVQPOOQDCDIBF-FXAWDEMLSA-N 2 0 412.965 3.892 20 0 HHADRP COc1ccccc1[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551002 1008477706 /nfs/dbraw/zinc/47/77/06/1008477706.db2.gz WDRGYGCCLDXHDN-HSZRJFAPSA-N 2 0 421.585 3.527 20 0 HHADRP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000548988189 1008564530 /nfs/dbraw/zinc/56/45/30/1008564530.db2.gz WKPXJSLDXFNDTC-RPBOFIJWSA-N 2 0 405.586 3.763 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000545473268 1008579888 /nfs/dbraw/zinc/57/98/88/1008579888.db2.gz DKRHGWPIVVFPKX-QFIPXVFZSA-N 2 0 411.933 3.751 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549034435 1008602574 /nfs/dbraw/zinc/60/25/74/1008602574.db2.gz QXMGGSVPWQQUHH-DEOSSOPVSA-N 2 0 406.574 3.804 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036132 1008604277 /nfs/dbraw/zinc/60/42/77/1008604277.db2.gz OYKITXJBJCEVSV-KNQAVFIVSA-N 2 0 401.595 3.503 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054744 1008620984 /nfs/dbraw/zinc/62/09/84/1008620984.db2.gz NBCFDHIJNHWOAK-ZKMPZPQNSA-N 2 0 420.601 3.684 20 0 HHADRP CC[NH+](CC)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549102317 1008667540 /nfs/dbraw/zinc/66/75/40/1008667540.db2.gz GBLVVGQXMDOIHC-VCYXJBJXSA-N 2 0 407.002 3.895 20 0 HHADRP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761439 /nfs/dbraw/zinc/76/14/39/1008761439.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 2 0 409.549 3.819 20 0 HHADRP Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)cc1 ZINC000543248886 1008817008 /nfs/dbraw/zinc/81/70/08/1008817008.db2.gz GXPJYTNRPUDUOV-JOCHJYFZSA-N 2 0 409.599 3.972 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000549406964 1008994079 /nfs/dbraw/zinc/99/40/79/1008994079.db2.gz WEBSJMDLXVOOKX-UHFFFAOYSA-N 2 0 424.637 3.512 20 0 HHADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862928 1009039694 /nfs/dbraw/zinc/03/96/94/1009039694.db2.gz JEAAZKMLSRZTJV-NFBKMPQASA-N 2 0 407.558 3.560 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000519872685 1009042885 /nfs/dbraw/zinc/04/28/85/1009042885.db2.gz DCYRNHHQBYAJEC-XMMPIXPASA-N 2 0 424.589 3.509 20 0 HHADRP CC[C@H](CNC(=O)NCc1cccc(C[N@H+](C)CC)c1)[NH+]1CCc2ccccc2C1 ZINC000519934072 1009088370 /nfs/dbraw/zinc/08/83/70/1009088370.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 2 0 408.590 3.774 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519988643 1009136160 /nfs/dbraw/zinc/13/61/60/1009136160.db2.gz DKDNBTVKORILME-DEOSSOPVSA-N 2 0 408.590 3.815 20 0 HHADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000543628040 1009234069 /nfs/dbraw/zinc/23/40/69/1009234069.db2.gz JSAHCHDPGSNJEX-SJBKTWHCSA-N 2 0 400.588 3.739 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000543639404 1009243032 /nfs/dbraw/zinc/24/30/32/1009243032.db2.gz ITULZIVSARFXLX-WOJBJXKFSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106743 1009263317 /nfs/dbraw/zinc/26/33/17/1009263317.db2.gz CWDPLFHLZXZWLY-XXBNENTESA-N 2 0 409.549 3.601 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520207939 1009342557 /nfs/dbraw/zinc/34/25/57/1009342557.db2.gz HOADTKAGINHPBK-MJGOQNOKSA-N 2 0 414.981 3.773 20 0 HHADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000549751020 1009369320 /nfs/dbraw/zinc/36/93/20/1009369320.db2.gz RLBIMUYSWIPOAC-KNQAVFIVSA-N 2 0 402.579 3.635 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000549858285 1009477634 /nfs/dbraw/zinc/47/76/34/1009477634.db2.gz LZPXCUJBSKCWTA-VGOFRKELSA-N 2 0 407.493 3.557 20 0 HHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867942 1009486863 /nfs/dbraw/zinc/48/68/63/1009486863.db2.gz JFBPICAYHPPYCC-AABGKKOBSA-N 2 0 412.496 3.615 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000520377838 1009513955 /nfs/dbraw/zinc/51/39/55/1009513955.db2.gz RGEQXJILCXWXQU-LJQANCHMSA-N 2 0 412.553 3.610 20 0 HHADRP c1cn(-c2csc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c2)cn1 ZINC000544187331 1009790740 /nfs/dbraw/zinc/79/07/40/1009790740.db2.gz USPQHKNKDIDIOK-UHFFFAOYSA-N 2 0 409.603 3.621 20 0 HHADRP COCCOc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550263072 1009814235 /nfs/dbraw/zinc/81/42/35/1009814235.db2.gz VQSDHBARLRGKQI-DEOSSOPVSA-N 2 0 424.585 3.730 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000520842987 1009897561 /nfs/dbraw/zinc/89/75/61/1009897561.db2.gz BJXHLQHFNWGJDI-REHUZNOOSA-N 2 0 406.574 3.568 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000520878449 1009933343 /nfs/dbraw/zinc/93/33/43/1009933343.db2.gz AICGRNPPTFPBJD-OALUTQOASA-N 2 0 402.539 3.782 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000520935456 1009990375 /nfs/dbraw/zinc/99/03/75/1009990375.db2.gz BTMISSHGDSTWLO-XMMPIXPASA-N 2 0 424.589 3.524 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000520952014 1010002851 /nfs/dbraw/zinc/00/28/51/1010002851.db2.gz BNWMEWKBATYFQD-RUZDIDTESA-N 2 0 410.581 3.894 20 0 HHADRP Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000544446128 1010068575 /nfs/dbraw/zinc/06/85/75/1010068575.db2.gz GUACVMAJWKQGQD-UHFFFAOYSA-N 2 0 418.532 3.999 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4sc(Br)cc43)cn2)CC1 ZINC000550624323 1010071075 /nfs/dbraw/zinc/07/10/75/1010071075.db2.gz PBSKXEBEUKZHFJ-INIZCTEOSA-N 2 0 421.408 3.825 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521067534 1010086148 /nfs/dbraw/zinc/08/61/48/1010086148.db2.gz XZPJCZGQZXTZOW-QGZVFWFLSA-N 2 0 414.516 3.511 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1 ZINC000547218580 1010164472 /nfs/dbraw/zinc/16/44/72/1010164472.db2.gz IPGWLFIZTAYVLU-UHFFFAOYSA-N 2 0 420.561 3.782 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785193 1010174519 /nfs/dbraw/zinc/17/45/19/1010174519.db2.gz PPLSFDUXZZWWMU-NVXWUHKLSA-N 2 0 407.377 3.854 20 0 HHADRP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000550888118 1010243211 /nfs/dbraw/zinc/24/32/11/1010243211.db2.gz YVDOAJRAQNZBDI-PKTZIBPZSA-N 2 0 406.636 3.667 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547365540 1010272221 /nfs/dbraw/zinc/27/22/21/1010272221.db2.gz WKHYLQXXHZKPEL-NRFANRHFSA-N 2 0 413.528 3.744 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323082 1010304858 /nfs/dbraw/zinc/30/48/58/1010304858.db2.gz AZWYLHOUKAZQQN-DHIUTWEWSA-N 2 0 400.611 3.708 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323085 1010305064 /nfs/dbraw/zinc/30/50/64/1010305064.db2.gz AZWYLHOUKAZQQN-XZOQPEGZSA-N 2 0 400.611 3.708 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005617 1010312780 /nfs/dbraw/zinc/31/27/80/1010312780.db2.gz MRXWJOLSVUTPPF-CLJLJLNGSA-N 2 0 406.618 3.619 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505543 1010332258 /nfs/dbraw/zinc/33/22/58/1010332258.db2.gz TYFCKQDKIUTYAK-BWKNWUBXSA-N 3 0 407.602 3.644 20 0 HHADRP C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000521362900 1010333841 /nfs/dbraw/zinc/33/38/41/1010333841.db2.gz XULLHZVKRWRXRC-UHFFFAOYSA-N 2 0 413.587 3.818 20 0 HHADRP CCC1(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000551084006 1010355203 /nfs/dbraw/zinc/35/52/03/1010355203.db2.gz PNLOAAKTICUMFJ-UHFFFAOYSA-N 2 0 406.636 3.872 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828482 1010441527 /nfs/dbraw/zinc/44/15/27/1010441527.db2.gz LKSHPDJWVHURAI-GRYUFTJMSA-N 2 0 411.565 3.699 20 0 HHADRP COc1cc([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258312 1010474899 /nfs/dbraw/zinc/47/48/99/1010474899.db2.gz FQDIKXGCCJSQJM-UYAOXDASSA-N 2 0 413.537 3.809 20 0 HHADRP CCNC(=O)COc1cccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000551309480 1010508035 /nfs/dbraw/zinc/50/80/35/1010508035.db2.gz UTNMEQTVTNKORT-UHFFFAOYSA-N 2 0 409.574 3.734 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686015 1010550009 /nfs/dbraw/zinc/55/00/09/1010550009.db2.gz VGTSZPSLMOSVNJ-WMZHIEFXSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000521687297 1010551833 /nfs/dbraw/zinc/55/18/33/1010551833.db2.gz KPYWWZSNENJQCH-QGZVFWFLSA-N 2 0 410.553 3.549 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000548295695 1010584556 /nfs/dbraw/zinc/58/45/56/1010584556.db2.gz UGULYIMEFJDLDZ-VWLOTQADSA-N 2 0 406.574 3.777 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770410 1010604837 /nfs/dbraw/zinc/60/48/37/1010604837.db2.gz CPPASIHKLUSUIY-XZOQPEGZSA-N 2 0 400.611 3.505 20 0 HHADRP C[N@H+](CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000521803426 1010630726 /nfs/dbraw/zinc/63/07/26/1010630726.db2.gz ALFGJSRJPVMKFJ-UHFFFAOYSA-N 2 0 401.982 3.859 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cnc(OC)c(Cl)c3)cc2)CC1 ZINC000551542083 1010648663 /nfs/dbraw/zinc/64/86/63/1010648663.db2.gz XALBDQWOOOEOCN-QGZVFWFLSA-N 2 0 402.970 3.732 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000545189718 1010678322 /nfs/dbraw/zinc/67/83/22/1010678322.db2.gz WGSBXQQKQOILHH-FNZWTVRRSA-N 2 0 418.585 3.612 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548773958 1010727298 /nfs/dbraw/zinc/72/72/98/1010727298.db2.gz CHJOINPLCKEZMH-OAFYVUHTSA-N 2 0 408.586 3.942 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048949 1010778246 /nfs/dbraw/zinc/77/82/46/1010778246.db2.gz HSRBPTIWPJAPJF-FYYLOGMGSA-N 2 0 414.638 3.751 20 0 HHADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000522444284 1011015836 /nfs/dbraw/zinc/01/58/36/1011015836.db2.gz MGHMHHQRYCLEBV-LJQANCHMSA-N 2 0 407.002 3.535 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000522603146 1011105504 /nfs/dbraw/zinc/10/55/04/1011105504.db2.gz NHWNGLXMALFALZ-FCHUYYIVSA-N 2 0 418.626 3.888 20 0 HHADRP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000540590357 1011246020 /nfs/dbraw/zinc/24/60/20/1011246020.db2.gz JRWGNGFUSYZRFC-XMMPIXPASA-N 2 0 409.574 3.779 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000522824520 1011257857 /nfs/dbraw/zinc/25/78/57/1011257857.db2.gz LRAHRWFHZMRJHI-UHFFFAOYSA-N 2 0 408.590 3.789 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000522828265 1011263758 /nfs/dbraw/zinc/26/37/58/1011263758.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 2 0 420.601 3.842 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)cc2)CC1 ZINC000522852744 1011292730 /nfs/dbraw/zinc/29/27/30/1011292730.db2.gz VWYYDSBHVGRGKB-VWLOTQADSA-N 2 0 420.601 3.704 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000536192733 1011333679 /nfs/dbraw/zinc/33/36/79/1011333679.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 2 0 406.574 3.595 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536230705 1011379882 /nfs/dbraw/zinc/37/98/82/1011379882.db2.gz CUWURGLMIKVDJW-RTBURBONSA-N 2 0 414.516 3.738 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536231435 1011380375 /nfs/dbraw/zinc/38/03/75/1011380375.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 2 0 421.589 3.523 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C1CC1 ZINC000523065227 1011535074 /nfs/dbraw/zinc/53/50/74/1011535074.db2.gz NKWAPBJFULBBMS-UHFFFAOYSA-N 2 0 406.574 3.671 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458803 1011678157 /nfs/dbraw/zinc/67/81/57/1011678157.db2.gz HTPRFZZXPQMCKR-OXFYSEKESA-N 2 0 410.965 3.503 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192402 1011678475 /nfs/dbraw/zinc/67/84/75/1011678475.db2.gz RMCIOSYEKWKHBS-AZUAARDMSA-N 2 0 418.607 3.935 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000523194911 1011680716 /nfs/dbraw/zinc/68/07/16/1011680716.db2.gz RVBJXVSYBGYBHW-NRFANRHFSA-N 2 0 412.603 3.631 20 0 HHADRP Cc1nccn1C[C@H](C)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536482182 1011693827 /nfs/dbraw/zinc/69/38/27/1011693827.db2.gz OLDIAZOUNBSQQZ-HXUWFJFHSA-N 2 0 409.578 3.525 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000523222768 1011712004 /nfs/dbraw/zinc/71/20/04/1011712004.db2.gz SJNZAPLEYPHUJH-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000536594846 1011757755 /nfs/dbraw/zinc/75/77/55/1011757755.db2.gz AWHSJMPJHTYRBQ-UHFFFAOYSA-N 2 0 413.610 3.605 20 0 HHADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000523313789 1011789113 /nfs/dbraw/zinc/78/91/13/1011789113.db2.gz XIHDUNJBHQOTDI-NRFANRHFSA-N 2 0 415.969 3.698 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccccc1)CC1CCC1 ZINC000523313657 1011789667 /nfs/dbraw/zinc/78/96/67/1011789667.db2.gz JLTUANGQOFKGHS-UHFFFAOYSA-N 2 0 421.589 3.606 20 0 HHADRP Brc1ccc2c(c1)C=C(C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CO2 ZINC000536667605 1011821647 /nfs/dbraw/zinc/82/16/47/1011821647.db2.gz KDQQDFRJEKAYCZ-UHFFFAOYSA-N 2 0 421.379 3.802 20 0 HHADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(OCCC)c1 ZINC000536710484 1011881882 /nfs/dbraw/zinc/88/18/82/1011881882.db2.gz NUCXPZSWGAAJSD-JOCHJYFZSA-N 2 0 403.611 3.865 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000536709871 1011882320 /nfs/dbraw/zinc/88/23/20/1011882320.db2.gz MIBAOEHNNRSBCN-LJQANCHMSA-N 2 0 410.389 3.870 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000536719137 1011892881 /nfs/dbraw/zinc/89/28/81/1011892881.db2.gz GLWYJQNVGRNXMV-HSZRJFAPSA-N 2 0 410.537 3.779 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000536745508 1011929576 /nfs/dbraw/zinc/92/95/76/1011929576.db2.gz YIYFGSVKIDTYOZ-UHFFFAOYSA-N 2 0 409.578 3.639 20 0 HHADRP Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(OCC[NH+](C)C)c1 ZINC000523447976 1011944942 /nfs/dbraw/zinc/94/49/42/1011944942.db2.gz DQDOUJJIZFROMO-NRFANRHFSA-N 2 0 404.599 3.813 20 0 HHADRP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032935 1012057995 /nfs/dbraw/zinc/05/79/95/1012057995.db2.gz CYAKTGTVYDLBDL-QLBJFCOMSA-N 2 0 421.585 3.592 20 0 HHADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552055602 1012073732 /nfs/dbraw/zinc/07/37/32/1012073732.db2.gz VZWGLHJFUOLDCL-ZFAFIAQSSA-N 2 0 408.590 3.778 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074323 /nfs/dbraw/zinc/07/43/23/1012074323.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 2 0 407.549 3.723 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859290 1012092482 /nfs/dbraw/zinc/09/24/82/1012092482.db2.gz SZTUQVQVXKHWQN-ZACQAIPSSA-N 2 0 411.974 3.545 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000536859674 1012094535 /nfs/dbraw/zinc/09/45/35/1012094535.db2.gz XWLSJSRRSIWXBA-DEOSSOPVSA-N 2 0 405.517 3.996 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CC[C@@H](c4nc(C5CC5)no4)O2)C3)cc1 ZINC000552087746 1012101842 /nfs/dbraw/zinc/10/18/42/1012101842.db2.gz QBKJFQKEXCUWLD-BDHVOXNPSA-N 2 0 408.546 3.952 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000541384003 1012104781 /nfs/dbraw/zinc/10/47/81/1012104781.db2.gz PMVDIQUFNRRNCO-QGZVFWFLSA-N 2 0 404.436 3.535 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876576 1012119675 /nfs/dbraw/zinc/11/96/75/1012119675.db2.gz OJVMHXZGABHPLC-NFBKMPQASA-N 2 0 401.595 3.539 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131693 /nfs/dbraw/zinc/13/16/93/1012131693.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 2 0 407.549 3.628 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000523604338 1012171283 /nfs/dbraw/zinc/17/12/83/1012171283.db2.gz PCOKURYSYSBDCG-NHYNNZIHSA-N 2 0 412.622 3.992 20 0 HHADRP O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523609291 1012178411 /nfs/dbraw/zinc/17/84/11/1012178411.db2.gz FOAJWZWALVSOAI-DEOSSOPVSA-N 2 0 409.549 3.745 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000523655953 1012249737 /nfs/dbraw/zinc/24/97/37/1012249737.db2.gz ZEXNMBYIHJKPMZ-SJORKVTESA-N 2 0 400.394 3.829 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000523655950 1012249956 /nfs/dbraw/zinc/24/99/56/1012249956.db2.gz ZEXNMBYIHJKPMZ-DLBZAZTESA-N 2 0 400.394 3.829 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000552255858 1012266162 /nfs/dbraw/zinc/26/61/62/1012266162.db2.gz XNJDYMKQOJNCCU-SGNDLWITSA-N 2 0 423.580 3.510 20 0 HHADRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000552301774 1012314098 /nfs/dbraw/zinc/31/40/98/1012314098.db2.gz PFUIPJSLVBDJBB-UHFFFAOYSA-N 2 0 416.484 3.713 20 0 HHADRP CC1CCC([NH+]2CCN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)CC1 ZINC000523784774 1012435192 /nfs/dbraw/zinc/43/51/92/1012435192.db2.gz GVPHVRJDWPBGOH-MHJFOBGBSA-N 2 0 404.624 3.791 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000537108927 1012480209 /nfs/dbraw/zinc/48/02/09/1012480209.db2.gz PMKIOJBGNCNSFY-HNNXBMFYSA-N 2 0 420.479 3.535 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC1(N3CCOCC3)CCCCC1)c1ccccc1O2 ZINC000537167879 1012571057 /nfs/dbraw/zinc/57/10/57/1012571057.db2.gz KRUHYVBPHMFJGA-JOCHJYFZSA-N 2 0 413.606 3.599 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C[C@@H]1C ZINC000537169370 1012572721 /nfs/dbraw/zinc/57/27/21/1012572721.db2.gz ACDVBRGYPWISSK-SFTDATJTSA-N 2 0 423.601 3.687 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)c1ccccc1O2 ZINC000537197955 1012616371 /nfs/dbraw/zinc/61/63/71/1012616371.db2.gz OGJLJDVCZCGHHU-HSZRJFAPSA-N 3 0 406.574 3.876 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939412 1012673060 /nfs/dbraw/zinc/67/30/60/1012673060.db2.gz MNKBMWJVMGBLIS-ZJOUEHCJSA-N 2 0 404.599 3.782 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000537326311 1012784208 /nfs/dbraw/zinc/78/42/08/1012784208.db2.gz UVIDCDQORLUMMT-NRFANRHFSA-N 2 0 424.029 3.509 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000524037639 1012787587 /nfs/dbraw/zinc/78/75/87/1012787587.db2.gz HNJVEQBSRPRQPP-UHFFFAOYSA-N 2 0 417.619 3.517 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000541930853 1012791921 /nfs/dbraw/zinc/79/19/21/1012791921.db2.gz IUYDZWPOJXZRIP-UHFFFAOYSA-N 3 0 412.666 3.971 20 0 HHADRP OC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000541955827 1012819235 /nfs/dbraw/zinc/81/92/35/1012819235.db2.gz AJQXFGIZVORBHG-DNQXCXABSA-N 2 0 412.480 3.611 20 0 HHADRP OC[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000541955829 1012819869 /nfs/dbraw/zinc/81/98/69/1012819869.db2.gz AJQXFGIZVORBHG-ZEQRLZLVSA-N 2 0 412.480 3.611 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135679 1012920275 /nfs/dbraw/zinc/92/02/75/1012920275.db2.gz NXWIYMGSSHLPSO-QZNHQXDQSA-N 2 0 400.611 3.801 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000487852990 1072086435 /nfs/dbraw/zinc/08/64/35/1072086435.db2.gz BAZFUELHLVPAIH-UHFFFAOYSA-N 2 0 408.542 3.875 20 0 HHADRP C[NH+]1CCC(CNC(=S)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000760487022 1072392309 /nfs/dbraw/zinc/39/23/09/1072392309.db2.gz RPIWEPNPPSMTRH-UHFFFAOYSA-N 2 0 416.679 3.527 20 0 HHADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001168305933 1072477168 /nfs/dbraw/zinc/47/71/68/1072477168.db2.gz VDYKZKQIXCNAII-UHFFFAOYSA-N 2 0 416.610 3.706 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)CC1 ZINC001168321277 1072502797 /nfs/dbraw/zinc/50/27/97/1072502797.db2.gz FJWICSUPVPSROF-OBFZPWGMSA-N 2 0 418.969 3.762 20 0 HHADRP Cn1cnc2c1cc(C1CC[NH2+]CC1)nc2N(CC1CC1)C1CCC([NH+](C)C)CC1 ZINC001168321350 1072502924 /nfs/dbraw/zinc/50/29/24/1072502924.db2.gz GCSSFCVDZZGPRJ-UHFFFAOYSA-N 2 0 410.610 3.525 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@](C[NH2+]C2CC[NH+](CC3CC3)CC2)(C(F)(F)F)C1 ZINC001168351574 1072533447 /nfs/dbraw/zinc/53/34/47/1072533447.db2.gz VIFCTFYLNUMISC-LJQANCHMSA-N 2 0 405.505 3.640 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C(F)(F)C1 ZINC001168357931 1072642793 /nfs/dbraw/zinc/64/27/93/1072642793.db2.gz MANACCVPVQENKS-HXUWFJFHSA-N 2 0 401.542 3.733 20 0 HHADRP CC(C)(C)OC(=O)N1CCC(OC2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168378832 1072650557 /nfs/dbraw/zinc/65/05/57/1072650557.db2.gz WUONBBRYUPRIPH-UHFFFAOYSA-N 2 0 421.626 3.741 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccsc1 ZINC000479394830 1072807457 /nfs/dbraw/zinc/80/74/57/1072807457.db2.gz UAKDWEZCBJANIA-VQTJNVASSA-N 2 0 406.571 3.872 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccsc1 ZINC000479394827 1072807521 /nfs/dbraw/zinc/80/75/21/1072807521.db2.gz UAKDWEZCBJANIA-PMACEKPBSA-N 2 0 406.571 3.872 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000554853305 1072902792 /nfs/dbraw/zinc/90/27/92/1072902792.db2.gz ADWLHWNTSPYGEY-FQEVSTJZSA-N 2 0 401.492 3.992 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000572083599 1073127009 /nfs/dbraw/zinc/12/70/09/1073127009.db2.gz OWPBFESTPNCHOI-HSZRJFAPSA-N 2 0 401.982 3.955 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)c2)CC1 ZINC000588699429 1073149849 /nfs/dbraw/zinc/14/98/49/1073149849.db2.gz KNJFDDJPAVPQOQ-RUZDIDTESA-N 2 0 420.601 3.842 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000588711369 1073157090 /nfs/dbraw/zinc/15/70/90/1073157090.db2.gz ONLRONILFDSQQU-IAGOWNOFSA-N 2 0 400.485 3.905 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000555318702 1073330865 /nfs/dbraw/zinc/33/08/65/1073330865.db2.gz IBYMFFZLMFCROP-OPYAIIAOSA-N 2 0 402.966 3.826 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600022772 1073399192 /nfs/dbraw/zinc/39/91/92/1073399192.db2.gz QKWKDHLEHWINEQ-FQEVSTJZSA-N 2 0 409.574 3.909 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000555418249 1073451507 /nfs/dbraw/zinc/45/15/07/1073451507.db2.gz IOSPNFAXUKSHKG-RCXJIHSJSA-N 2 0 417.597 3.811 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417714 1073452144 /nfs/dbraw/zinc/45/21/44/1073452144.db2.gz ISYVVWINPRWYRT-XXBNENTESA-N 2 0 419.585 3.558 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@@H](C)O1 ZINC000590060553 1073534896 /nfs/dbraw/zinc/53/48/96/1073534896.db2.gz NHALWWDFCFPLRQ-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000590157335 1073599108 /nfs/dbraw/zinc/59/91/08/1073599108.db2.gz LQMHOOURKBBGCX-SFTDATJTSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419209 1074283400 /nfs/dbraw/zinc/28/34/00/1074283400.db2.gz GGLBYSMPKYLKAS-JTHBVZDNSA-N 2 0 421.585 3.944 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591448986 1074303679 /nfs/dbraw/zinc/30/36/79/1074303679.db2.gz CLWSWVNHUMQJBV-FQEVSTJZSA-N 2 0 401.595 3.886 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000591582125 1074424602 /nfs/dbraw/zinc/42/46/02/1074424602.db2.gz ZSDLBQQFHJBXSO-HSZRJFAPSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000591701283 1074495865 /nfs/dbraw/zinc/49/58/65/1074495865.db2.gz MWOWBPRNSTZDIV-FQEVSTJZSA-N 2 0 421.589 3.804 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592475299 1074763741 /nfs/dbraw/zinc/76/37/41/1074763741.db2.gz QQWHVDCIWPSEIO-UTKZUKDTSA-N 2 0 404.986 3.793 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000574082505 1075161124 /nfs/dbraw/zinc/16/11/24/1075161124.db2.gz VNQKWXPXSJTOCK-UHFFFAOYSA-N 2 0 418.029 3.893 20 0 HHADRP Cc1ccc([C@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000593500855 1075204754 /nfs/dbraw/zinc/20/47/54/1075204754.db2.gz BHGOFGKBYHAAQI-NRFANRHFSA-N 2 0 414.550 3.877 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502578 1075205517 /nfs/dbraw/zinc/20/55/17/1075205517.db2.gz UJMDQAYRNKSMSV-SIKLNZKXSA-N 2 0 410.562 3.974 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502576 1075205549 /nfs/dbraw/zinc/20/55/49/1075205549.db2.gz UJMDQAYRNKSMSV-KNQAVFIVSA-N 2 0 410.562 3.974 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[NH+]1CCCC1 ZINC000594286168 1075277445 /nfs/dbraw/zinc/27/74/45/1075277445.db2.gz LLAFVKYMLKZBMC-JOCHJYFZSA-N 2 0 422.658 3.610 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886124 1075724538 /nfs/dbraw/zinc/72/45/38/1075724538.db2.gz NLYICHZNBUWONR-LOSJGSFVSA-N 2 0 420.601 3.807 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000602277957 1075726138 /nfs/dbraw/zinc/72/61/38/1075726138.db2.gz NXKWZQGDHANKBM-OAQYLSRUSA-N 2 0 414.981 3.572 20 0 HHADRP Fc1cccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656430 719297197 /nfs/dbraw/zinc/29/71/97/719297197.db2.gz XHKLKXFRCRMWFF-LADGPHEKSA-N 2 0 410.537 3.866 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164715587 720123173 /nfs/dbraw/zinc/12/31/73/720123173.db2.gz IFUKXAUBYNOHLU-OAQYLSRUSA-N 2 0 410.562 3.771 20 0 HHADRP Cc1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754490 720871098 /nfs/dbraw/zinc/87/10/98/720871098.db2.gz RYJDYAAFBJLMHS-ILBGXUMGSA-N 2 0 406.574 3.849 20 0 HHADRP c1cc2c(cc[nH+]c2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754595 720872412 /nfs/dbraw/zinc/87/24/12/720872412.db2.gz SEMDOPNEHGHSJF-BWKNWUBXSA-N 2 0 417.557 3.713 20 0 HHADRP COc1cc2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OC ZINC001164856186 720966299 /nfs/dbraw/zinc/96/62/99/720966299.db2.gz CFFOAJMYWBLJDB-MRXNPFEDSA-N 2 0 409.534 3.870 20 0 HHADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164994358 722212773 /nfs/dbraw/zinc/21/27/73/722212773.db2.gz AZKLCJBZICIUFB-VWLOTQADSA-N 2 0 424.564 3.844 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000524244425 1013055147 /nfs/dbraw/zinc/05/51/47/1013055147.db2.gz ZRLLMRJXQKHAED-RZUBCFFCSA-N 2 0 401.595 3.885 20 0 HHADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303145279 971526595 /nfs/dbraw/zinc/52/65/95/971526595.db2.gz DPDQBLPOZBKFNX-FQEVSTJZSA-N 2 0 411.565 3.717 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153167 971530850 /nfs/dbraw/zinc/53/08/50/971530850.db2.gz SZMDZVMSZJAQBX-KRWDZBQOSA-N 2 0 404.580 3.508 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1F ZINC000303606965 971895338 /nfs/dbraw/zinc/89/53/38/971895338.db2.gz BFGGIISUHIDUHI-FQEVSTJZSA-N 2 0 402.514 3.507 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000537613493 1013152947 /nfs/dbraw/zinc/15/29/47/1013152947.db2.gz QIDXVDCKNVARTI-NZQKXSOJSA-N 2 0 406.574 3.633 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623162 1013171465 /nfs/dbraw/zinc/17/14/65/1013171465.db2.gz YTQOQDDPPAEMHV-FQEVSTJZSA-N 2 0 401.595 3.630 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000542361484 1013317962 /nfs/dbraw/zinc/31/79/62/1013317962.db2.gz CWOPFSUEUWDZEJ-UHFFFAOYSA-N 2 0 421.585 3.693 20 0 HHADRP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841737 1013403033 /nfs/dbraw/zinc/40/30/33/1013403033.db2.gz NKHLXCBGAPRDKC-MRXNPFEDSA-N 2 0 402.489 3.925 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875998 1013452947 /nfs/dbraw/zinc/45/29/47/1013452947.db2.gz WSMNDQKITFPGPE-RDPSFJRHSA-N 2 0 421.589 3.508 20 0 HHADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537880691 1013460260 /nfs/dbraw/zinc/46/02/60/1013460260.db2.gz DWZNOJFATOMHII-UHFFFAOYSA-N 2 0 423.605 3.504 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050137042 964274977 /nfs/dbraw/zinc/27/49/77/964274977.db2.gz HHMQNXOHICNVLE-LJQANCHMSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902367 1013486853 /nfs/dbraw/zinc/48/68/53/1013486853.db2.gz QSIBUGYWCDVMKO-OAQYLSRUSA-N 2 0 421.589 3.604 20 0 HHADRP O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000542549202 1013493293 /nfs/dbraw/zinc/49/32/93/1013493293.db2.gz BUIIXJNEXKUNRG-HSZRJFAPSA-N 2 0 409.599 3.785 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561414 /nfs/dbraw/zinc/56/14/14/1013561414.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 2 0 401.639 3.796 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000537987511 1013562309 /nfs/dbraw/zinc/56/23/09/1013562309.db2.gz RKVPQMJZEANQND-HSZRJFAPSA-N 2 0 422.617 3.776 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537987871 1013562414 /nfs/dbraw/zinc/56/24/14/1013562414.db2.gz TXWFIXVJQJFTES-HXUWFJFHSA-N 2 0 405.542 3.688 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989283 1013563072 /nfs/dbraw/zinc/56/30/72/1013563072.db2.gz ALZXJSBTDDDEFU-OFVILXPXSA-N 2 0 401.554 3.897 20 0 HHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1)CC(C)C ZINC000537998770 1013573658 /nfs/dbraw/zinc/57/36/58/1013573658.db2.gz SXDNILWXPMNGIG-UHFFFAOYSA-N 2 0 409.640 3.517 20 0 HHADRP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030913992 965830794 /nfs/dbraw/zinc/83/07/94/965830794.db2.gz SAFDKUYIAOEGNO-UHFFFAOYSA-N 2 0 403.574 3.649 20 0 HHADRP CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000031664306 966079192 /nfs/dbraw/zinc/07/91/92/966079192.db2.gz BZINXQLPVLLLCP-VWLOTQADSA-N 2 0 420.601 3.787 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244773 966081302 /nfs/dbraw/zinc/08/13/02/966081302.db2.gz AWVXUTRWRMIKJO-SJLPKXTDSA-N 2 0 406.621 3.624 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244771 966081474 /nfs/dbraw/zinc/08/14/74/966081474.db2.gz AWVXUTRWRMIKJO-FUHWJXTLSA-N 2 0 406.621 3.624 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000542715713 1013627966 /nfs/dbraw/zinc/62/79/66/1013627966.db2.gz ZRUUMWGCJOYDKA-UXHICEINSA-N 2 0 400.611 3.933 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000060524109 966190556 /nfs/dbraw/zinc/19/05/56/966190556.db2.gz HQOLQCMKFQSZNV-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000056066716 966200239 /nfs/dbraw/zinc/20/02/39/966200239.db2.gz UUBRANBIRUWZKC-UHFFFAOYSA-N 2 0 409.574 3.802 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058157 1013634967 /nfs/dbraw/zinc/63/49/67/1013634967.db2.gz RNJNRUKJNAVHMK-QZTJIDSGSA-N 2 0 401.576 3.559 20 0 HHADRP COC(=O)COc1c(C)cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000060952481 966335026 /nfs/dbraw/zinc/33/50/26/966335026.db2.gz COVJPNXAVPDJKN-UHFFFAOYSA-N 2 0 416.587 3.919 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000060979439 966342012 /nfs/dbraw/zinc/34/20/12/966342012.db2.gz RVNFGLORPADSIW-UHFFFAOYSA-N 2 0 411.377 3.749 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000061075825 966367095 /nfs/dbraw/zinc/36/70/95/966367095.db2.gz FJORRVUBAJHLCS-JOCHJYFZSA-N 2 0 416.610 3.786 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061230261 966403491 /nfs/dbraw/zinc/40/34/91/966403491.db2.gz WBTZRJIFCWMAQG-RPWUZVMVSA-N 2 0 406.574 3.787 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000056846297 966490507 /nfs/dbraw/zinc/49/05/07/966490507.db2.gz ZGOGVGMHCJKZNH-UHFFFAOYSA-N 2 0 414.569 3.939 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056950117 966526781 /nfs/dbraw/zinc/52/67/81/966526781.db2.gz UDQPSHCKOJWLHA-JOCHJYFZSA-N 2 0 400.542 3.768 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791761 966555479 /nfs/dbraw/zinc/55/54/79/966555479.db2.gz WMPIWZVQXYVYEB-UHFFFAOYSA-N 2 0 418.651 3.862 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000062476148 966684138 /nfs/dbraw/zinc/68/41/38/966684138.db2.gz WOBHLZAJWFERDQ-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000063311765 966812367 /nfs/dbraw/zinc/81/23/67/966812367.db2.gz SOGSEPFYBBFQKO-XMMPIXPASA-N 2 0 407.558 3.517 20 0 HHADRP Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000063441428 966858496 /nfs/dbraw/zinc/85/84/96/966858496.db2.gz GYQIFFPDADTIFR-UHFFFAOYSA-O 2 0 422.618 3.784 20 0 HHADRP C[NH+]1CCC(NC(=S)C(C(=O)c2ccc(Cl)c(Cl)c2)[n+]2ccccc2)CC1 ZINC000063441406 966858607 /nfs/dbraw/zinc/85/86/07/966858607.db2.gz SHKAKBGJXNPYDR-UHFFFAOYSA-O 2 0 423.389 3.904 20 0 HHADRP CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441511 966858754 /nfs/dbraw/zinc/85/87/54/966858754.db2.gz IEMXIWLDWRADIX-UHFFFAOYSA-O 2 0 416.998 3.813 20 0 HHADRP Cc1cc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(C)cc2)c(C)s1 ZINC000063441665 966858788 /nfs/dbraw/zinc/85/87/88/966858788.db2.gz KXKQULXWSOOFHI-UHFFFAOYSA-O 2 0 402.609 3.583 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143731 966916851 /nfs/dbraw/zinc/91/68/51/966916851.db2.gz WHWZJRTUZPLCDA-HXUWFJFHSA-N 2 0 400.592 3.623 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063702434 966932132 /nfs/dbraw/zinc/93/21/32/966932132.db2.gz CEGFXSLWFINRPH-DEOSSOPVSA-N 2 0 405.586 3.927 20 0 HHADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000043391245 966963989 /nfs/dbraw/zinc/96/39/89/966963989.db2.gz MNZQXTFSMRXQCV-QFIPXVFZSA-N 2 0 416.610 3.929 20 0 HHADRP Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000064507737 967217920 /nfs/dbraw/zinc/21/79/20/967217920.db2.gz ZTZBALJAVYZUSZ-UHFFFAOYSA-N 2 0 411.615 3.844 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000542848109 1013707403 /nfs/dbraw/zinc/70/74/03/1013707403.db2.gz HQDFZAORUCPGBC-CLOONOSVSA-N 2 0 404.558 3.988 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCCCC1 ZINC000064644538 967258234 /nfs/dbraw/zinc/25/82/34/967258234.db2.gz WOKDDZHSZRFYOF-IBGZPJMESA-N 2 0 406.640 3.914 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045029136 967336011 /nfs/dbraw/zinc/33/60/11/967336011.db2.gz KZOGBXCMCKLCTI-UHFFFAOYSA-N 2 0 408.590 3.992 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000065438612 967466409 /nfs/dbraw/zinc/46/64/09/967466409.db2.gz RZJRGVGHLGNWPE-LJQANCHMSA-N 2 0 415.626 3.769 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000538206444 1013759853 /nfs/dbraw/zinc/75/98/53/1013759853.db2.gz OMHKGXVYUQFNAN-CLCXKQKWSA-N 2 0 412.441 3.848 20 0 HHADRP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000538218389 1013769483 /nfs/dbraw/zinc/76/94/83/1013769483.db2.gz WHLOCGJYLVPCGL-GOTSBHOMSA-N 2 0 406.636 3.667 20 0 HHADRP CC[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000047306007 968132740 /nfs/dbraw/zinc/13/27/40/968132740.db2.gz AMPHZZJZYQNVKJ-RUZDIDTESA-N 2 0 405.586 3.852 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)[NH+](C)C)c1 ZINC000047936602 968370871 /nfs/dbraw/zinc/37/08/71/968370871.db2.gz KASWJWLPLUOWOB-QHCPKHFHSA-N 2 0 412.578 3.638 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000047976757 968381640 /nfs/dbraw/zinc/38/16/40/968381640.db2.gz GBCWPWPWGLYEGY-INIZCTEOSA-N 2 0 410.400 3.680 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065939243 968730635 /nfs/dbraw/zinc/73/06/35/968730635.db2.gz DLQBNVRTVZKTRO-OAQYLSRUSA-N 2 0 415.528 3.767 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000066008576 968768194 /nfs/dbraw/zinc/76/81/94/968768194.db2.gz JMDVHGZDSBJPKH-MZKRTTBSSA-N 2 0 414.663 3.863 20 0 HHADRP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295212 1013830097 /nfs/dbraw/zinc/83/00/97/1013830097.db2.gz YWHYJDBRHCGFHU-UNMCSNQZSA-N 2 0 421.589 3.586 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627911 969049006 /nfs/dbraw/zinc/04/90/06/969049006.db2.gz NVKHLMXAAPLNFE-JOCHJYFZSA-N 2 0 406.574 3.679 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000108413407 969380781 /nfs/dbraw/zinc/38/07/81/969380781.db2.gz LEHDEXBXUFEGPD-FQEVSTJZSA-N 2 0 418.582 3.798 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC000108414281 969381465 /nfs/dbraw/zinc/38/14/65/969381465.db2.gz RDIGFJMSPJWHNC-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929488 969435863 /nfs/dbraw/zinc/43/58/63/969435863.db2.gz XNIAVVMXOARWJA-NOZRDPDXSA-N 2 0 421.585 3.861 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109015967 969449951 /nfs/dbraw/zinc/44/99/51/969449951.db2.gz NNKBPNGIGDJTSU-VWNXMTODSA-N 2 0 409.549 3.991 20 0 HHADRP COc1ccc([C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000109109037 969463414 /nfs/dbraw/zinc/46/34/14/969463414.db2.gz KRZJOEOAAACGGQ-DEOSSOPVSA-N 2 0 407.558 3.858 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554259467 1013880569 /nfs/dbraw/zinc/88/05/69/1013880569.db2.gz DMAXGLFITWTDLG-UXHICEINSA-N 2 0 402.514 3.548 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109312943 969496340 /nfs/dbraw/zinc/49/63/40/969496340.db2.gz UMPXOTJIEZKHLC-VWLOTQADSA-N 2 0 420.601 3.816 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000111072573 969772426 /nfs/dbraw/zinc/77/24/26/969772426.db2.gz UJQWBPVXHDTRRP-OTPAQWSUSA-N 2 0 423.601 3.995 20 0 HHADRP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891240 /nfs/dbraw/zinc/89/12/40/969891240.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 2 0 420.601 3.978 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000141407465 970113087 /nfs/dbraw/zinc/11/30/87/970113087.db2.gz LPNLNVPJXQNWJU-DEOSSOPVSA-N 2 0 408.590 3.850 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000554451173 1013954526 /nfs/dbraw/zinc/95/45/26/1013954526.db2.gz BRMZGOPGHCSNAC-RDPSFJRHSA-N 2 0 406.574 3.613 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c2cccs2)CC1 ZINC000236727535 970164367 /nfs/dbraw/zinc/16/43/67/970164367.db2.gz FEMLAUYNBFHXMJ-NRFANRHFSA-N 2 0 411.615 3.959 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000236813370 970175489 /nfs/dbraw/zinc/17/54/89/970175489.db2.gz KXAGZQRWHPOBEB-UHFFFAOYSA-N 2 0 405.590 3.828 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC1 ZINC000236944080 970192015 /nfs/dbraw/zinc/19/20/15/970192015.db2.gz ZBLTVTZWVSEVFU-UHFFFAOYSA-N 2 0 404.002 3.766 20 0 HHADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000236944630 970192078 /nfs/dbraw/zinc/19/20/78/970192078.db2.gz AOLWDZDTWZOLSV-FQEVSTJZSA-N 2 0 411.546 3.534 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000236952058 970193981 /nfs/dbraw/zinc/19/39/81/970193981.db2.gz YCGBJABDUONVLU-LJQANCHMSA-N 2 0 416.997 3.677 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(OCCOC)c2)CC1 ZINC000236982838 970200304 /nfs/dbraw/zinc/20/03/04/970200304.db2.gz GPLTXDKPUSRTMA-LJQANCHMSA-N 2 0 415.553 3.844 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OCCOC)cc2)CC1 ZINC000236982284 970200346 /nfs/dbraw/zinc/20/03/46/970200346.db2.gz SUFOOGUXLLFOCR-LJQANCHMSA-N 2 0 415.553 3.844 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000237206159 970241463 /nfs/dbraw/zinc/24/14/63/970241463.db2.gz WXQUXMKATRIMSS-UHFFFAOYSA-N 2 0 404.002 3.686 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000237232552 970245883 /nfs/dbraw/zinc/24/58/83/970245883.db2.gz OKAKWWMQODAQDV-UHFFFAOYSA-N 2 0 409.500 3.768 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)CN1CC[NH+](C)CC1 ZINC000237422051 970282548 /nfs/dbraw/zinc/28/25/48/970282548.db2.gz GVHJIJYWUWGFQR-IBGZPJMESA-N 2 0 409.603 3.574 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000237420980 970282597 /nfs/dbraw/zinc/28/25/97/970282597.db2.gz QMSNCGHWGOIXSH-FQEVSTJZSA-N 2 0 421.564 3.652 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237420756 970282617 /nfs/dbraw/zinc/28/26/17/970282617.db2.gz NIJIDZIBJNEQCI-QFIPXVFZSA-N 2 0 417.601 3.821 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)CN1CC[NH+](C)CC1 ZINC000237590195 970318850 /nfs/dbraw/zinc/31/88/50/970318850.db2.gz GVHJIJYWUWGFQR-LJQANCHMSA-N 2 0 409.603 3.574 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000237916010 970393388 /nfs/dbraw/zinc/39/33/88/970393388.db2.gz JDQCRAWBQOVDLS-GOSISDBHSA-N 2 0 406.357 3.981 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)c2)C1 ZINC000237916684 970393982 /nfs/dbraw/zinc/39/39/82/970393982.db2.gz XQBXMDCSLKEAOR-LJQANCHMSA-N 2 0 405.464 3.693 20 0 HHADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c1O ZINC000311061614 972625796 /nfs/dbraw/zinc/62/57/96/972625796.db2.gz XDSUEYKALPACPT-MRXNPFEDSA-N 2 0 405.336 3.775 20 0 HHADRP CCOc1c(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Br ZINC000392281973 972851746 /nfs/dbraw/zinc/85/17/46/972851746.db2.gz JFFQYUDUSPMVRT-UHFFFAOYSA-N 2 0 418.173 3.962 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000409455709 972900759 /nfs/dbraw/zinc/90/07/59/972900759.db2.gz YOOYEFRLTBHZLZ-NZQKXSOJSA-N 2 0 409.574 3.973 20 0 HHADRP C[N@H+](CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000410309795 973851160 /nfs/dbraw/zinc/85/11/60/973851160.db2.gz CJOTUQNEZBOWFA-UHFFFAOYSA-N 2 0 400.611 3.647 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000410323741 973875408 /nfs/dbraw/zinc/87/54/08/973875408.db2.gz FSECBSFZSFTFHF-UHFFFAOYSA-N 2 0 421.589 3.531 20 0 HHADRP C[N@H+](CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000410330023 973897914 /nfs/dbraw/zinc/89/79/14/973897914.db2.gz VWOPMQANNRKNJB-UHFFFAOYSA-N 2 0 408.590 3.515 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351749 973942853 /nfs/dbraw/zinc/94/28/53/973942853.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426019608 974139581 /nfs/dbraw/zinc/13/95/81/974139581.db2.gz FTPUQGVKQMEWMB-WMZHIEFXSA-N 2 0 400.998 3.882 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426770180 974647230 /nfs/dbraw/zinc/64/72/30/974647230.db2.gz PRJPPFMMLDEPEI-OALUTQOASA-N 2 0 419.635 3.948 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000426774690 974650732 /nfs/dbraw/zinc/65/07/32/974650732.db2.gz PNXJRKMMIWHWBL-QZTJIDSGSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426783859 974656433 /nfs/dbraw/zinc/65/64/33/974656433.db2.gz KSWNZXQMLLYEKM-OALUTQOASA-N 2 0 422.013 3.558 20 0 HHADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426826908 974691999 /nfs/dbraw/zinc/69/19/99/974691999.db2.gz QIKBDCCHEZAQBL-LRSLUSHPSA-N 2 0 415.622 3.772 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000427705713 975245667 /nfs/dbraw/zinc/24/56/67/975245667.db2.gz JXRODDVVBXBLQO-CQSZACIVSA-N 2 0 410.331 3.817 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264127 975577941 /nfs/dbraw/zinc/57/79/41/975577941.db2.gz UXGLSJJWXXTXTF-DNRQZRRGSA-N 2 0 420.601 3.786 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000428683710 975975452 /nfs/dbraw/zinc/97/54/52/975975452.db2.gz GDGGXTLBUUTXHH-ZTCOLXNVSA-N 2 0 408.590 3.950 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000428690316 975980958 /nfs/dbraw/zinc/98/09/58/975980958.db2.gz RXGMMGYTBWWGSR-UHFFFAOYSA-N 2 0 419.013 3.726 20 0 HHADRP CC(C)(C)C(=O)c1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000428863741 976154502 /nfs/dbraw/zinc/15/45/02/976154502.db2.gz RGKVVAMNQILZJE-UHFFFAOYSA-N 2 0 423.561 3.644 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428918178 976219032 /nfs/dbraw/zinc/21/90/32/976219032.db2.gz AVYMYZDDJBTQJC-AUSIDOKSSA-N 2 0 412.553 3.610 20 0 HHADRP C[C@@H](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085409 976371769 /nfs/dbraw/zinc/37/17/69/976371769.db2.gz YPKXCZDNYXVALO-SFTDATJTSA-N 2 0 423.605 3.817 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591544 /nfs/dbraw/zinc/59/15/44/976591544.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 2 0 423.601 3.938 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754399 /nfs/dbraw/zinc/75/43/99/976754399.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 2 0 414.638 3.974 20 0 HHADRP C[C@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000430236861 977410936 /nfs/dbraw/zinc/41/09/36/977410936.db2.gz CDAVKIDFLBTXOL-XTJBDQBJSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000430263263 977430173 /nfs/dbraw/zinc/43/01/73/977430173.db2.gz XQHHNRYMXCOVRH-OAHLLOKOSA-N 2 0 403.398 3.969 20 0 HHADRP CN(CC[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC000430986185 977931951 /nfs/dbraw/zinc/93/19/51/977931951.db2.gz BVAITNUNNXTGTG-UHFFFAOYSA-N 2 0 424.589 3.765 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431114244 978026854 /nfs/dbraw/zinc/02/68/54/978026854.db2.gz KVHOUMKEXPSGAV-UXHICEINSA-N 2 0 416.614 3.577 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000431126485 978035053 /nfs/dbraw/zinc/03/50/53/978035053.db2.gz MMRMPTDSCRJEFH-NRFANRHFSA-N 2 0 412.582 3.663 20 0 HHADRP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136350 978041808 /nfs/dbraw/zinc/04/18/08/978041808.db2.gz IXJRGBNMRRIYDZ-FQEVSTJZSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(C)(C)C[NH+](C)C ZINC000431297811 978183466 /nfs/dbraw/zinc/18/34/66/978183466.db2.gz RTXLIZNZVKQHMJ-HXUWFJFHSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322758 978207715 /nfs/dbraw/zinc/20/77/15/978207715.db2.gz YAEIUTZBPVZTKC-ZJSXRUAMSA-N 2 0 420.601 3.611 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000431652761 978412487 /nfs/dbraw/zinc/41/24/87/978412487.db2.gz WMKMOOMHGOLHGN-ZJSXRUAMSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677698 978430517 /nfs/dbraw/zinc/43/05/17/978430517.db2.gz FGCGIHFWFKHZTK-RBBKRZOGSA-N 2 0 424.589 3.939 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431816976 978534592 /nfs/dbraw/zinc/53/45/92/978534592.db2.gz AZBQYMJQSDFODA-UHFFFAOYSA-N 2 0 410.606 3.559 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000431903450 978588614 /nfs/dbraw/zinc/58/86/14/978588614.db2.gz UETYPNVVPGJPSJ-ROKPMTFOSA-N 2 0 409.574 3.605 20 0 HHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCO1 ZINC000432345416 978769133 /nfs/dbraw/zinc/76/91/33/978769133.db2.gz HQHIIUZGNWSGJM-HXUWFJFHSA-N 2 0 405.546 3.525 20 0 HHADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@@H+]4CCCO[C@H](C)C4)cc3)nc12 ZINC000432345802 978769552 /nfs/dbraw/zinc/76/95/52/978769552.db2.gz GVXMOCLIOBWHET-OAQYLSRUSA-N 2 0 422.573 3.812 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC[NH+]2CC=CCC2)cc1)C[C@H]1CCCCO1 ZINC000432368506 978781083 /nfs/dbraw/zinc/78/10/83/978781083.db2.gz QPDKSVFAMAPIMN-HSZRJFAPSA-N 2 0 414.594 3.850 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000432426365 978807259 /nfs/dbraw/zinc/80/72/59/978807259.db2.gz ZNLPGRUHINFRFV-DYXWJJEUSA-N 2 0 408.558 3.925 20 0 HHADRP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791800 978975337 /nfs/dbraw/zinc/97/53/37/978975337.db2.gz IBLPFWAWDGOHMX-QOOAILMYSA-N 2 0 418.622 3.658 20 0 HHADRP COc1cc(CN2CCC[NH+](C(C)C)CC2)cc(CN2CCC[N@@H+](C(C)C)CC2)c1 ZINC000432944612 979018352 /nfs/dbraw/zinc/01/83/52/979018352.db2.gz SVIHNJBBFBFARU-UHFFFAOYSA-N 2 0 416.654 3.527 20 0 HHADRP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117830 979081222 /nfs/dbraw/zinc/08/12/22/979081222.db2.gz VKHKHUSEKJVBIM-HXUWFJFHSA-N 2 0 409.549 3.819 20 0 HHADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433130083 979088989 /nfs/dbraw/zinc/08/89/89/979088989.db2.gz QKRCKAXUHVXTEN-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433131382 979089762 /nfs/dbraw/zinc/08/97/62/979089762.db2.gz UUSQLTAOKKYCRO-UHFFFAOYSA-N 2 0 409.549 3.772 20 0 HHADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433132339 979090763 /nfs/dbraw/zinc/09/07/63/979090763.db2.gz XAHMPNDLDQMLIY-DEOSSOPVSA-N 2 0 424.585 3.561 20 0 HHADRP O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1nc2c(s1)CCC2 ZINC000433175470 979118998 /nfs/dbraw/zinc/11/89/98/979118998.db2.gz OJCNCDOWOJICPH-UHFFFAOYSA-N 2 0 410.587 3.558 20 0 HHADRP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000433203437 979139187 /nfs/dbraw/zinc/13/91/87/979139187.db2.gz XOAMQSBXMMFFRC-NVXDSCFRSA-N 2 0 418.622 3.946 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433363180 979256971 /nfs/dbraw/zinc/25/69/71/979256971.db2.gz GYUACTPSTAASHU-VWNXMTODSA-N 2 0 409.574 3.898 20 0 HHADRP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000433758641 979552997 /nfs/dbraw/zinc/55/29/97/979552997.db2.gz TUJNRHMOSFKMIO-UHFFFAOYSA-N 2 0 404.514 3.627 20 0 HHADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000434313604 980074223 /nfs/dbraw/zinc/07/42/23/980074223.db2.gz AVBAWMFHGXLFTB-IRLDBZIGSA-N 2 0 409.578 3.842 20 0 HHADRP CCn1nccc1C1CC[NH+](CC[C@@H](C)[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434791288 980400469 /nfs/dbraw/zinc/40/04/69/980400469.db2.gz CBEBTZUOGYWTFJ-HXUWFJFHSA-N 2 0 412.626 3.957 20 0 HHADRP O=C(C[NH+]1CCC(OCC2CCCC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434897785 980478071 /nfs/dbraw/zinc/47/80/71/980478071.db2.gz YTRGHZJTNLRBMQ-UHFFFAOYSA-N 2 0 413.606 3.570 20 0 HHADRP Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435520934 980917102 /nfs/dbraw/zinc/91/71/02/980917102.db2.gz UJVPOFRPNJTTKC-JOCHJYFZSA-N 2 0 424.593 3.636 20 0 HHADRP CN1CCC(CNC(=O)N2CC3(CCCC3)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000435569161 980945327 /nfs/dbraw/zinc/94/53/27/980945327.db2.gz WTWNGQSGQRZXIF-UHFFFAOYSA-N 2 0 410.606 3.978 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000436228690 981259888 /nfs/dbraw/zinc/25/98/88/981259888.db2.gz CDSWKJNCZKDQSW-UHFFFAOYSA-N 2 0 413.871 3.940 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448205134 981617425 /nfs/dbraw/zinc/61/74/25/981617425.db2.gz NZLDJRFAAGTBIS-FUSLQDLPSA-N 2 0 422.617 3.840 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000448205427 981618076 /nfs/dbraw/zinc/61/80/76/981618076.db2.gz PSUNDELAMMHPJY-SFTDATJTSA-N 2 0 400.611 3.879 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448208014 981621492 /nfs/dbraw/zinc/62/14/92/981621492.db2.gz CXTQJFUACIWNCQ-QHCPKHFHSA-N 2 0 400.611 3.566 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448210407 981624190 /nfs/dbraw/zinc/62/41/90/981624190.db2.gz ZYRWRMMFADRMTC-BKXMBWNOSA-N 2 0 410.606 3.555 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000448210965 981624678 /nfs/dbraw/zinc/62/46/78/981624678.db2.gz DVAOOSSXJHFKGD-WWNPGLIZSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000448258929 981659694 /nfs/dbraw/zinc/65/96/94/981659694.db2.gz ZQWFAPQCWZSRTH-BAGYTPMASA-N 2 0 400.611 3.801 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448463439 981797068 /nfs/dbraw/zinc/79/70/68/981797068.db2.gz BTRHOMJDMUWTTQ-ILWGZMRPSA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000448466731 981802469 /nfs/dbraw/zinc/80/24/69/981802469.db2.gz NTKUXFXDHBRYCJ-QTEQDKRBSA-N 2 0 400.611 3.933 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473816 981815888 /nfs/dbraw/zinc/81/58/88/981815888.db2.gz UHTIRLUXANJSRS-SGKWCMOWSA-N 2 0 414.638 3.810 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccsc1 ZINC000460173775 981946207 /nfs/dbraw/zinc/94/62/07/981946207.db2.gz ZRWXQHOUCIPFSL-ILWGZMRPSA-N 2 0 412.603 3.514 20 0 HHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000460276102 982052000 /nfs/dbraw/zinc/05/20/00/982052000.db2.gz KFNSYBKYSUCGBG-UHFFFAOYSA-N 2 0 422.658 3.708 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000460364365 982140483 /nfs/dbraw/zinc/14/04/83/982140483.db2.gz LFSQPIDDUPWVII-NTWACIBNSA-N 2 0 407.558 3.654 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437548217 982178275 /nfs/dbraw/zinc/17/82/75/982178275.db2.gz KQTTXQBPHXUMJQ-WMZHIEFXSA-N 2 0 413.610 3.703 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1)C(C)C ZINC000460481927 982273919 /nfs/dbraw/zinc/27/39/19/982273919.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 2 0 414.638 3.597 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460950762 982685137 /nfs/dbraw/zinc/68/51/37/982685137.db2.gz SFZFXJDUQUSHIJ-RDABAPPSSA-N 2 0 400.611 3.849 20 0 HHADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(Cl)c1F ZINC000461095649 982789487 /nfs/dbraw/zinc/78/94/87/982789487.db2.gz RJKSZCXEJVXZHK-LJQANCHMSA-N 2 0 405.949 3.912 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438554895 982895310 /nfs/dbraw/zinc/89/53/10/982895310.db2.gz VASYBAMOLLUTRV-GOSISDBHSA-N 2 0 400.489 3.671 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438650227 982968899 /nfs/dbraw/zinc/96/88/99/982968899.db2.gz QLJNUEYVVASXAZ-HXUWFJFHSA-N 2 0 411.550 3.754 20 0 HHADRP O=C(C[NH2+]C1(c2ccc(Br)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000438755259 983047980 /nfs/dbraw/zinc/04/79/80/983047980.db2.gz MNFBVZFLDQDHCD-UHFFFAOYSA-N 2 0 420.395 3.551 20 0 HHADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429653 983092430 /nfs/dbraw/zinc/09/24/30/983092430.db2.gz NWYYNJZKJBZLQK-LOSJGSFVSA-N 2 0 403.570 3.877 20 0 HHADRP C[C@H]1CN(c2ccc(C[NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)cn2)CCO1 ZINC000438829407 983100769 /nfs/dbraw/zinc/10/07/69/983100769.db2.gz CHDITMOCZNDMDP-XOYNAWAESA-N 2 0 408.590 3.840 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142573 983270615 /nfs/dbraw/zinc/27/06/15/983270615.db2.gz PFFKHLJBNWAKIG-KBXCAEBGSA-N 2 0 400.430 3.825 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000439301155 983353012 /nfs/dbraw/zinc/35/30/12/983353012.db2.gz ZTFZWTIKIDEDDR-SFHVURJKSA-N 2 0 402.608 3.951 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+]2CCCC2)cc1 ZINC000439320155 983363428 /nfs/dbraw/zinc/36/34/28/983363428.db2.gz DAUXNAXQDUELHC-QFIPXVFZSA-N 2 0 414.619 3.967 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000439340054 983372172 /nfs/dbraw/zinc/37/21/72/983372172.db2.gz HYPLHDIGCSQTCQ-SFHVURJKSA-N 2 0 420.648 3.795 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000440104613 983646109 /nfs/dbraw/zinc/64/61/09/983646109.db2.gz MOUDQXOZYJQQPX-QFIPXVFZSA-N 2 0 412.578 3.847 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000440185468 983674269 /nfs/dbraw/zinc/67/42/69/983674269.db2.gz JJDVVHYCUYFBDI-NZQKXSOJSA-N 2 0 415.626 3.807 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194384 983678322 /nfs/dbraw/zinc/67/83/22/983678322.db2.gz YMFPHFIEHLBMOJ-YADARESESA-N 2 0 423.605 3.772 20 0 HHADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000441047672 984042674 /nfs/dbraw/zinc/04/26/74/984042674.db2.gz GVQBMZKKIBIQLC-UHFFFAOYSA-N 2 0 413.610 3.644 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441330183 984188552 /nfs/dbraw/zinc/18/85/52/984188552.db2.gz FDDUFXBRYFYZPM-UHFFFAOYSA-N 2 0 407.562 3.556 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000441616494 984357762 /nfs/dbraw/zinc/35/77/62/984357762.db2.gz VTDDZVSSHQZJRM-GZNCHQMQSA-N 2 0 411.512 3.678 20 0 HHADRP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000442247479 984769284 /nfs/dbraw/zinc/76/92/84/984769284.db2.gz DNRDMXKWDHDFJJ-BLNUVLEBSA-N 2 0 400.611 3.974 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461799691 984786854 /nfs/dbraw/zinc/78/68/54/984786854.db2.gz GBWAQRMTDRYLMY-IBGZPJMESA-N 2 0 401.545 3.734 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000462126107 985096111 /nfs/dbraw/zinc/09/61/11/985096111.db2.gz MTTIHNXRYHMDSI-PZJWPPBQSA-N 2 0 400.592 3.692 20 0 HHADRP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000443200225 985440246 /nfs/dbraw/zinc/44/02/46/985440246.db2.gz GCCBONRAZMVCOK-HOTGVXAUSA-N 2 0 403.958 3.905 20 0 HHADRP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236493 985456988 /nfs/dbraw/zinc/45/69/88/985456988.db2.gz GFLGBGVPZOUBJX-CRAIPNDOSA-N 2 0 414.516 3.555 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(OCC(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000462680077 985618959 /nfs/dbraw/zinc/61/89/59/985618959.db2.gz TUYFFCFECSUIOE-QFIPXVFZSA-N 2 0 403.517 3.799 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2ccc(F)cc2)CC1 ZINC000468074294 985731700 /nfs/dbraw/zinc/73/17/00/985731700.db2.gz QBTVNSHNTKXVSR-RUZDIDTESA-N 3 0 418.645 3.996 20 0 HHADRP C[C@@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000462801728 985734253 /nfs/dbraw/zinc/73/42/53/985734253.db2.gz INTSJSAIWHPJME-XUZZJYLKSA-N 3 0 404.618 3.604 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803059 985735800 /nfs/dbraw/zinc/73/58/00/985735800.db2.gz PRRDGGWWWISUIZ-ZJSXRUAMSA-N 3 0 404.618 3.604 20 0 HHADRP CCNC(=O)N1CC[C@@H]([NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809400 985739750 /nfs/dbraw/zinc/73/97/50/985739750.db2.gz IODACZYDUVPOLD-FGZHOGPDSA-N 2 0 404.574 3.772 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccc(F)cc2)CC1 ZINC000462819097 985744863 /nfs/dbraw/zinc/74/48/63/985744863.db2.gz WQOYMAONSIPPAF-DEOSSOPVSA-N 3 0 405.602 3.673 20 0 HHADRP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587651 985762908 /nfs/dbraw/zinc/76/29/08/985762908.db2.gz ATDJBAWRUYBIAZ-FQEVSTJZSA-N 2 0 401.595 3.803 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(F)cc2)CC1 ZINC000462883806 985808572 /nfs/dbraw/zinc/80/85/72/985808572.db2.gz YABIQZXHGZVDNZ-DEOSSOPVSA-N 3 0 404.618 3.606 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)C[C@H]3C)cc2)C1 ZINC000443636091 985818414 /nfs/dbraw/zinc/81/84/14/985818414.db2.gz BJBJXKZNYHWKFP-AWWSKVOZSA-N 2 0 400.611 3.646 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000462917662 985851139 /nfs/dbraw/zinc/85/11/39/985851139.db2.gz XDJHPYWQBQAZLV-HXUWFJFHSA-N 2 0 419.411 3.720 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468456199 986150292 /nfs/dbraw/zinc/15/02/92/986150292.db2.gz AHDFNUJNWHCQHY-UHFFFAOYSA-N 2 0 400.526 3.684 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272485 986239166 /nfs/dbraw/zinc/23/91/66/986239166.db2.gz QNKIEUYDNREWLR-OFVILXPXSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272793 986240128 /nfs/dbraw/zinc/24/01/28/986240128.db2.gz UITXOFSDLUFHFI-PXDATVDWSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000463292061 986258910 /nfs/dbraw/zinc/25/89/10/986258910.db2.gz ZCWSXXKYFDQIOV-ZULSDKFXSA-N 2 0 418.629 3.982 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468710282 986425661 /nfs/dbraw/zinc/42/56/61/986425661.db2.gz SLVAGXANCIAWFN-UHFFFAOYSA-N 2 0 410.468 3.729 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1 ZINC000469060062 986771313 /nfs/dbraw/zinc/77/13/13/986771313.db2.gz RPRFAQNNJLVFLN-UHFFFAOYSA-N 2 0 420.479 3.771 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893315 /nfs/dbraw/zinc/89/33/15/986893315.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 2 0 410.606 3.844 20 0 HHADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000444797137 986952675 /nfs/dbraw/zinc/95/26/75/986952675.db2.gz CJYGGVUJZRWBMW-LJQANCHMSA-N 2 0 416.610 3.760 20 0 HHADRP CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000469561821 987232035 /nfs/dbraw/zinc/23/20/35/987232035.db2.gz HTXSLGBVKUEBJI-LWYYNNOASA-N 2 0 414.594 3.724 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566065 987235576 /nfs/dbraw/zinc/23/55/76/987235576.db2.gz YVCDWSVQGQXBGU-QHCPKHFHSA-N 2 0 400.611 3.849 20 0 HHADRP CCOCCCN1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000469787791 987432924 /nfs/dbraw/zinc/43/29/24/987432924.db2.gz RIFLGBOARPYGQL-NAXVTNAXSA-N 2 0 421.434 3.828 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000469794158 987437448 /nfs/dbraw/zinc/43/74/48/987437448.db2.gz NDMDLQMSRCPPOT-HFMPRLQTSA-N 2 0 423.601 3.882 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1)C(C)C ZINC000469917325 987546437 /nfs/dbraw/zinc/54/64/37/987546437.db2.gz NHABAPNPGYHHDN-QHCPKHFHSA-N 2 0 401.595 3.634 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc4c(c3)COC(C)(C)O4)CC2)CC1 ZINC000469951170 987572738 /nfs/dbraw/zinc/57/27/38/987572738.db2.gz WAIQRMPGJPAGMP-UHFFFAOYSA-N 2 0 415.622 3.960 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000470065347 987959613 /nfs/dbraw/zinc/95/96/13/987959613.db2.gz IUBVZSKMGOQUQY-GOSISDBHSA-N 2 0 414.516 3.870 20 0 HHADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000470099584 988000891 /nfs/dbraw/zinc/00/08/91/988000891.db2.gz FLHZIXUVMHHBGO-GOSISDBHSA-N 2 0 400.538 3.759 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291958 988250587 /nfs/dbraw/zinc/25/05/87/988250587.db2.gz VOEOVHHNHWHYBT-RTBURBONSA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438725 988410114 /nfs/dbraw/zinc/41/01/14/988410114.db2.gz QDUNKIFWJZALSO-KURKYZTESA-N 2 0 406.537 3.552 20 0 HHADRP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438723 988410319 /nfs/dbraw/zinc/41/03/19/988410319.db2.gz QDUNKIFWJZALSO-BZSNNMDCSA-N 2 0 406.537 3.552 20 0 HHADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000470489466 988480176 /nfs/dbraw/zinc/48/01/76/988480176.db2.gz HYUBKBATDYVTKS-OAQYLSRUSA-N 2 0 421.585 3.644 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674340 988698011 /nfs/dbraw/zinc/69/80/11/988698011.db2.gz LEPHVDHKGVVDPB-RUZDIDTESA-N 2 0 420.601 3.565 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)c2)CC1 ZINC000470728746 988759274 /nfs/dbraw/zinc/75/92/74/988759274.db2.gz XTLQXBLVKCVUAC-XMMPIXPASA-N 2 0 412.622 3.792 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000470731333 988763213 /nfs/dbraw/zinc/76/32/13/988763213.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739843 988778092 /nfs/dbraw/zinc/77/80/92/988778092.db2.gz FZPOZZCUVJEEPB-VWNXMTODSA-N 2 0 424.589 3.604 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743596 988782329 /nfs/dbraw/zinc/78/23/29/988782329.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470747939 988788329 /nfs/dbraw/zinc/78/83/29/988788329.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000470886805 988958568 /nfs/dbraw/zinc/95/85/68/988958568.db2.gz WZRDWHAZEJNVIV-KWDCZQRMSA-N 2 0 410.606 3.555 20 0 HHADRP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772580 988997376 /nfs/dbraw/zinc/99/73/76/988997376.db2.gz HUGTZBWGKGENMU-UXHICEINSA-N 2 0 407.649 3.780 20 0 HHADRP C[C@H](OC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998562 989064105 /nfs/dbraw/zinc/06/41/05/989064105.db2.gz YWPLWUGBPQKUQQ-YZZIRNTPSA-N 2 0 414.977 3.842 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCSc2ccccc2)CC1)Cc1ccccc1 ZINC000471220972 989364454 /nfs/dbraw/zinc/36/44/54/989364454.db2.gz POXHBUIMYKIWOD-UHFFFAOYSA-N 2 0 411.615 3.739 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCOC2CCCCCC2)CC1)Cc1ccccc1 ZINC000471230437 989374768 /nfs/dbraw/zinc/37/47/68/989374768.db2.gz QVRADNOQSDWZSS-UHFFFAOYSA-N 2 0 415.622 3.686 20 0 HHADRP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000471377477 989554732 /nfs/dbraw/zinc/55/47/32/989554732.db2.gz WLIZMNXUHDFPTO-UHFFFAOYSA-N 2 0 405.586 3.602 20 0 HHADRP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000471441912 989625365 /nfs/dbraw/zinc/62/53/65/989625365.db2.gz FHXHEGLYNLIRCO-FQEVSTJZSA-N 2 0 411.615 3.876 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471552200 989752618 /nfs/dbraw/zinc/75/26/18/989752618.db2.gz QXDDMVHPSCYOSX-PLQXJYEYSA-N 2 0 418.585 3.556 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465407409 989754151 /nfs/dbraw/zinc/75/41/51/989754151.db2.gz MFURUTAPPFTVNN-DHIUTWEWSA-N 2 0 424.589 3.970 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000465419436 989765310 /nfs/dbraw/zinc/76/53/10/989765310.db2.gz FUFMKLCQWSDIFG-LOSJGSFVSA-N 2 0 422.617 3.713 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459412 989799703 /nfs/dbraw/zinc/79/97/03/989799703.db2.gz UKHKTGQGEMODAN-SFHLNBCPSA-N 2 0 400.592 3.733 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471598054 989801207 /nfs/dbraw/zinc/80/12/07/989801207.db2.gz SZEPUGURMUREMV-XMMPIXPASA-N 2 0 408.590 3.850 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)Cc1ccccc1 ZINC000465518752 989871642 /nfs/dbraw/zinc/87/16/42/989871642.db2.gz DWRCMVFTDALZIF-VJBWXMMDSA-N 2 0 400.611 3.596 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000465531584 989890838 /nfs/dbraw/zinc/89/08/38/989890838.db2.gz BFZPOTQSLCIXGD-HSZRJFAPSA-N 2 0 420.601 3.598 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000465532713 989893225 /nfs/dbraw/zinc/89/32/25/989893225.db2.gz VQEIAXQCRWBYRQ-CTNGQTDRSA-N 2 0 404.599 3.592 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000465535367 989898452 /nfs/dbraw/zinc/89/84/52/989898452.db2.gz BCTGEQDNZZAAKC-QNWVGRARSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000465548168 989911213 /nfs/dbraw/zinc/91/12/13/989911213.db2.gz UEQMCSCOJCGKOX-OAQYLSRUSA-N 2 0 407.002 3.898 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465549529 989913053 /nfs/dbraw/zinc/91/30/53/989913053.db2.gz SFIHDRYOXYSDPX-ZDXQCDESSA-N 2 0 414.638 3.908 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465549526 989913361 /nfs/dbraw/zinc/91/33/61/989913361.db2.gz SFIHDRYOXYSDPX-AOHZBQACSA-N 2 0 414.638 3.908 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551990 989915254 /nfs/dbraw/zinc/91/52/54/989915254.db2.gz ABDQGQOGLHMZHG-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729378 989925061 /nfs/dbraw/zinc/92/50/61/989925061.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 2 0 406.574 3.643 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465577569 989947908 /nfs/dbraw/zinc/94/79/08/989947908.db2.gz SXJBTANVILUGFB-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465587825 989963428 /nfs/dbraw/zinc/96/34/28/989963428.db2.gz APIVIEQUSRDOIR-QFIPXVFZSA-N 2 0 419.013 3.868 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805576 989988751 /nfs/dbraw/zinc/98/87/51/989988751.db2.gz SUCOQTKFCYDMKO-YADHBBJMSA-N 2 0 410.562 3.546 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465634743 990020716 /nfs/dbraw/zinc/02/07/16/990020716.db2.gz PMMRJIJMJDBKRG-VWLOTQADSA-N 2 0 420.601 3.946 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471858754 990031028 /nfs/dbraw/zinc/03/10/28/990031028.db2.gz SUOUIAPNPQFBBY-XBMUEBEBSA-N 2 0 418.548 3.746 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000465676578 990062456 /nfs/dbraw/zinc/06/24/56/990062456.db2.gz ABQODXUZCRXDIO-JTHBVZDNSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691073 990077050 /nfs/dbraw/zinc/07/70/50/990077050.db2.gz JBYIQDSEVOCEAQ-FCHUYYIVSA-N 2 0 420.601 3.739 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000465696989 990083461 /nfs/dbraw/zinc/08/34/61/990083461.db2.gz UGINMDCKIVNZCT-YFVAEKQCSA-N 2 0 418.582 3.872 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465700458 990086524 /nfs/dbraw/zinc/08/65/24/990086524.db2.gz YGIFPGBONAUUQT-XXBNENTESA-N 2 0 412.553 3.734 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704314 990090613 /nfs/dbraw/zinc/09/06/13/990090613.db2.gz GZZPFHUWBNERPK-RQIDZSJNSA-N 2 0 406.640 3.941 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000465724567 990110275 /nfs/dbraw/zinc/11/02/75/990110275.db2.gz SLUQUXJQJBJZPE-DQEYMECFSA-N 2 0 422.617 3.713 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465745160 990130385 /nfs/dbraw/zinc/13/03/85/990130385.db2.gz QMGAOISIARCUKH-XQPJFTJZSA-N 2 0 406.640 3.797 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465753860 990140126 /nfs/dbraw/zinc/14/01/26/990140126.db2.gz KUGNDUZNKYXROR-XJUOHMSHSA-N 2 0 414.638 3.906 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000465802923 990185718 /nfs/dbraw/zinc/18/57/18/990185718.db2.gz ACUDIURRAXXKJN-JTHBVZDNSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472047167 990215347 /nfs/dbraw/zinc/21/53/47/990215347.db2.gz DQSUPEPCMDYWMN-XBMUEBEBSA-N 2 0 418.548 3.601 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465859639 990970367 /nfs/dbraw/zinc/97/03/67/990970367.db2.gz BQSIZVVSAWYRHD-URXFXBBRSA-N 2 0 414.638 3.845 20 0 HHADRP C[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000465883457 991005822 /nfs/dbraw/zinc/00/58/22/991005822.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 2 0 408.590 3.813 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000465890882 991016331 /nfs/dbraw/zinc/01/63/31/991016331.db2.gz AMTKZLZFRSRCAG-XZOQPEGZSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073880 991246999 /nfs/dbraw/zinc/24/69/99/991246999.db2.gz FLFWDCXWNFMOCO-AZUAARDMSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000466084602 991263564 /nfs/dbraw/zinc/26/35/64/991263564.db2.gz YNBSWHBLWPYFKI-SBHAEUEKSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466224017 991443713 /nfs/dbraw/zinc/44/37/13/991443713.db2.gz YRHPQBYZZKGBLS-PXDATVDWSA-N 2 0 420.601 3.656 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466295928 991546739 /nfs/dbraw/zinc/54/67/39/991546739.db2.gz FFUVQMPNKQWQGW-NRFANRHFSA-N 2 0 407.002 3.678 20 0 HHADRP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466913343 992228134 /nfs/dbraw/zinc/22/81/34/992228134.db2.gz RCGKZZXRYXWANA-OAQYLSRUSA-N 2 0 415.622 3.639 20 0 HHADRP Clc1ccc(-c2noc(CC[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000466936279 992247423 /nfs/dbraw/zinc/24/74/23/992247423.db2.gz PSDCBMOKJRTYLV-UHFFFAOYSA-N 2 0 404.942 3.509 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000467170747 992490424 /nfs/dbraw/zinc/49/04/24/992490424.db2.gz IYYFQEPFEOIISW-SFHVURJKSA-N 2 0 410.002 3.682 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467401171 992708995 /nfs/dbraw/zinc/70/89/95/992708995.db2.gz BMIUASAGVOCXJK-UTKZUKDTSA-N 2 0 424.427 3.532 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000467544711 992824290 /nfs/dbraw/zinc/82/42/90/992824290.db2.gz XAGXZXXPFFYMGD-QFIPXVFZSA-N 2 0 420.601 3.541 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690241 992946719 /nfs/dbraw/zinc/94/67/19/992946719.db2.gz CNFIYPVAQZIHAK-WMZHIEFXSA-N 2 0 409.599 3.628 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c(C)c2)CC1 ZINC000467778471 993017493 /nfs/dbraw/zinc/01/74/93/993017493.db2.gz WPHNRUKCBVAZNJ-UHFFFAOYSA-N 2 0 403.615 3.767 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000467840547 993072325 /nfs/dbraw/zinc/07/23/25/993072325.db2.gz IEGHICMTEZWDGQ-QGZVFWFLSA-N 2 0 403.368 3.707 20 0 HHADRP CCN(CCC[NH+](CC)CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000472094769 993144861 /nfs/dbraw/zinc/14/48/61/993144861.db2.gz NASBUJCLVWNKPW-NOTZXAQLSA-N 2 0 400.611 3.945 20 0 HHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000472135537 993189037 /nfs/dbraw/zinc/18/90/37/993189037.db2.gz AASLITWAXVBQJM-UHFFFAOYSA-N 2 0 405.384 3.503 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000472137269 993191061 /nfs/dbraw/zinc/19/10/61/993191061.db2.gz XEKWPBQVXIILEY-JOCHJYFZSA-N 2 0 417.601 3.963 20 0 HHADRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000480769150 993633890 /nfs/dbraw/zinc/63/38/90/993633890.db2.gz LPKACVZSUUUHGT-VWLOTQADSA-N 2 0 403.574 3.983 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480773707 993639476 /nfs/dbraw/zinc/63/94/76/993639476.db2.gz KGIHAEHYQUOABL-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778995 993646141 /nfs/dbraw/zinc/64/61/41/993646141.db2.gz JIPBEBKVOUVWDE-SQJMNOBHSA-N 2 0 403.574 3.902 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780543 993647315 /nfs/dbraw/zinc/64/73/15/993647315.db2.gz QUMRUYGVYHDMHN-HRNNMHKYSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+]1C ZINC000480781103 993648814 /nfs/dbraw/zinc/64/88/14/993648814.db2.gz SPUBOKNTBMTCLB-QUCCMNQESA-N 3 0 412.544 3.680 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC(F)F ZINC000480899698 993757122 /nfs/dbraw/zinc/75/71/22/993757122.db2.gz LMNXVINQGLSOJJ-QGZVFWFLSA-N 2 0 419.516 3.895 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000480907526 993764017 /nfs/dbraw/zinc/76/40/17/993764017.db2.gz GRSDASATTKNPDZ-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000481025699 993870030 /nfs/dbraw/zinc/87/00/30/993870030.db2.gz ZVSFEJSSOMJDIG-QHCPKHFHSA-N 2 0 418.585 3.690 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169753 994001521 /nfs/dbraw/zinc/00/15/21/994001521.db2.gz FQQVUSHWARUHAD-SYYKKAFVSA-N 2 0 402.966 3.888 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000481408181 994242362 /nfs/dbraw/zinc/24/23/62/994242362.db2.gz RPRAVBVMTSHSAV-DNVCBOLYSA-N 2 0 401.364 3.857 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000473522070 994377375 /nfs/dbraw/zinc/37/73/75/994377375.db2.gz LCVLXUIPDZTULI-SOAGJPPSSA-N 2 0 411.512 3.991 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000481584487 994427034 /nfs/dbraw/zinc/42/70/34/994427034.db2.gz TVODICDFGYITSG-FYYLOGMGSA-N 2 0 418.622 3.778 20 0 HHADRP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674036 994533940 /nfs/dbraw/zinc/53/39/40/994533940.db2.gz VKQHTYJEMFGUPE-SJLPKXTDSA-N 2 0 404.020 3.655 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1S(C)(=O)=O ZINC000481714856 994576115 /nfs/dbraw/zinc/57/61/15/994576115.db2.gz HSGBQYLIALEGBZ-MRXNPFEDSA-N 2 0 422.616 3.723 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473746591 994650634 /nfs/dbraw/zinc/65/06/34/994650634.db2.gz HECISPNXNWHFNW-FUDKSRODSA-N 2 0 400.611 3.831 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000473749974 994657349 /nfs/dbraw/zinc/65/73/49/994657349.db2.gz VYWKLNURZUILNA-WOJBJXKFSA-N 2 0 424.589 3.905 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820036 994748818 /nfs/dbraw/zinc/74/88/18/994748818.db2.gz IKQZPDDEBWNKGC-PMACEKPBSA-N 2 0 413.610 3.603 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000473832732 994763842 /nfs/dbraw/zinc/76/38/42/994763842.db2.gz CAECQWQMKIBXNZ-UHFFFAOYSA-N 2 0 421.589 3.615 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473873983 994815859 /nfs/dbraw/zinc/81/58/59/994815859.db2.gz KWGYEFPFFDAGIR-NPHXMPSESA-N 2 0 400.611 3.563 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000473880461 994826895 /nfs/dbraw/zinc/82/68/95/994826895.db2.gz WRSHWXHXCFAXLE-GZOXUSKESA-N 2 0 408.590 3.704 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000473885009 994833968 /nfs/dbraw/zinc/83/39/68/994833968.db2.gz KBXDMNBPKGAIEC-ROUUACIJSA-N 2 0 400.611 3.751 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482121489 995069395 /nfs/dbraw/zinc/06/93/95/995069395.db2.gz QUGVAMZBBSDDRU-SFHVURJKSA-N 2 0 422.602 3.771 20 0 HHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000482245268 995226470 /nfs/dbraw/zinc/22/64/70/995226470.db2.gz POGBCNWNSOVBTA-MRXNPFEDSA-N 2 0 405.489 3.739 20 0 HHADRP Cc1ccc(C)c([C@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000474239365 995237157 /nfs/dbraw/zinc/23/71/57/995237157.db2.gz OLRFQBRODRDBTR-XMMPIXPASA-N 2 0 421.589 3.757 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000482260441 995238430 /nfs/dbraw/zinc/23/84/30/995238430.db2.gz IFGBOPFHHXVUKV-FQEVSTJZSA-N 2 0 418.379 3.981 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000474368584 995349031 /nfs/dbraw/zinc/34/90/31/995349031.db2.gz JMBXSYYJPLNESY-HDYDNRTBSA-N 2 0 424.511 3.596 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474466226 995428281 /nfs/dbraw/zinc/42/82/81/995428281.db2.gz ZNDBCOQIPUJRNN-ZDUSSCGKSA-N 2 0 408.306 3.584 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H](C)c3ccc(OC)c(OC)c3)cn2)CC1 ZINC000474478731 995438129 /nfs/dbraw/zinc/43/81/29/995438129.db2.gz BCOHDDOHUGIPIZ-OALUTQOASA-N 2 0 412.578 3.523 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000474482656 995441193 /nfs/dbraw/zinc/44/11/93/995441193.db2.gz NMRMPPRBAIZGMK-GOSISDBHSA-N 2 0 400.588 3.718 20 0 HHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482445719 995443102 /nfs/dbraw/zinc/44/31/02/995443102.db2.gz BLFLMRCQNPCWFY-SFHVURJKSA-N 2 0 419.520 3.639 20 0 HHADRP c1ccc(C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000482449655 995449243 /nfs/dbraw/zinc/44/92/43/995449243.db2.gz HQKKWPSRTANAMN-VWLOTQADSA-N 2 0 415.585 3.952 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Br)s1 ZINC000482455597 995456408 /nfs/dbraw/zinc/45/64/08/995456408.db2.gz QEJDKBJPIOINRU-OAHLLOKOSA-N 2 0 424.412 3.554 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000482492665 995503451 /nfs/dbraw/zinc/50/34/51/995503451.db2.gz VNAMXIZFEQBIJK-UHFFFAOYSA-N 2 0 422.621 3.526 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000482510032 995520587 /nfs/dbraw/zinc/52/05/87/995520587.db2.gz NCJSBRHKRSIRNY-IAGOWNOFSA-N 2 0 402.608 3.661 20 0 HHADRP C[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)CN1CC[NH+](C)CC1 ZINC000482510735 995521283 /nfs/dbraw/zinc/52/12/83/995521283.db2.gz RYDDOLHPSAIHDI-APWZRJJASA-N 2 0 402.583 3.800 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474557010 995521970 /nfs/dbraw/zinc/52/19/70/995521970.db2.gz JZAHXLXZJGBXMV-RJPLPAITSA-N 2 0 422.976 3.788 20 0 HHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000482513886 995524553 /nfs/dbraw/zinc/52/45/53/995524553.db2.gz UEHAREJSJPGEHM-ARMFNRFLSA-N 2 0 423.601 3.932 20 0 HHADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000482518455 995528673 /nfs/dbraw/zinc/52/86/73/995528673.db2.gz JCZOJTLTBRECMN-SFHVURJKSA-N 2 0 419.591 3.531 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1)N1CC[NH+](C)CC1 ZINC000482535891 995544101 /nfs/dbraw/zinc/54/41/01/995544101.db2.gz PDASGEJWEUOVMC-DLBZAZTESA-N 2 0 420.395 3.595 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541927 995549778 /nfs/dbraw/zinc/54/97/78/995549778.db2.gz HPPUVCWPMSTURQ-NQIIRXRSSA-N 2 0 413.537 3.643 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000482551008 995558277 /nfs/dbraw/zinc/55/82/77/995558277.db2.gz CGMRNFCUVDJLBW-UHFFFAOYSA-N 2 0 401.545 3.736 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620258 995615908 /nfs/dbraw/zinc/61/59/08/995615908.db2.gz OMXMCTUPMADBQY-WMLDXEAASA-N 2 0 405.464 3.652 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474726125 995661712 /nfs/dbraw/zinc/66/17/12/995661712.db2.gz GHOSMTNMDSLIBF-VIQWUECVSA-N 2 0 413.532 3.726 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000474731718 995665901 /nfs/dbraw/zinc/66/59/01/995665901.db2.gz SEMOWBDFGSDJSP-IMHYJWESSA-N 2 0 405.558 3.740 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474733107 995667599 /nfs/dbraw/zinc/66/75/99/995667599.db2.gz WTXQVPYOFVCZPD-OKZBNKHCSA-N 2 0 420.026 3.876 20 0 HHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000474802491 995715832 /nfs/dbraw/zinc/71/58/32/995715832.db2.gz XJTIIBFLEFVZJF-OALUTQOASA-N 2 0 412.574 3.942 20 0 HHADRP Cc1ccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000482821846 995772361 /nfs/dbraw/zinc/77/23/61/995772361.db2.gz LMVKCMJSUOZFLP-RPBOFIJWSA-N 2 0 405.586 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822860 995772387 /nfs/dbraw/zinc/77/23/87/995772387.db2.gz ROSTXYBSWIOPMC-PGRDOPGGSA-N 2 0 402.542 3.783 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822857 995772799 /nfs/dbraw/zinc/77/27/99/995772799.db2.gz ROSTXYBSWIOPMC-AVRDEDQJSA-N 2 0 402.542 3.783 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000482881949 995815215 /nfs/dbraw/zinc/81/52/15/995815215.db2.gz FKLPFTGNMMGNIK-NRFANRHFSA-N 2 0 409.574 3.849 20 0 HHADRP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034141 995883799 /nfs/dbraw/zinc/88/37/99/995883799.db2.gz USSKDDFCZOMUOW-WOJBJXKFSA-N 2 0 400.592 3.657 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475108827 995927818 /nfs/dbraw/zinc/92/78/18/995927818.db2.gz JTXHUAHFWZDGTI-UHFFFAOYSA-N 2 0 416.585 3.886 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475138118 995946843 /nfs/dbraw/zinc/94/68/43/995946843.db2.gz MBZHKUCBDXBPPK-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+]CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000475153470 995957009 /nfs/dbraw/zinc/95/70/09/995957009.db2.gz DBVGMLWNCLBRJO-LAUBAEHRSA-N 2 0 409.530 3.820 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000483125098 995990659 /nfs/dbraw/zinc/99/06/59/995990659.db2.gz RHIIIDGVLCXHAX-JOCHJYFZSA-N 2 0 409.549 3.704 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475224632 996008238 /nfs/dbraw/zinc/00/82/38/996008238.db2.gz OOFSBVIFKWIGLL-UYAOXDASSA-N 2 0 411.546 3.533 20 0 HHADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475278687 996041204 /nfs/dbraw/zinc/04/12/04/996041204.db2.gz JJJPVMNBOFWTDD-IRLDBZIGSA-N 2 0 419.569 3.953 20 0 HHADRP C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000483238317 996054056 /nfs/dbraw/zinc/05/40/56/996054056.db2.gz WQKMZAOXKJPFAZ-NGYIFUPDSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483417580 996165175 /nfs/dbraw/zinc/16/51/75/996165175.db2.gz YMJCICFVKHUWBG-FQRUVTKNSA-N 2 0 423.576 3.958 20 0 HHADRP COc1ccc2nc(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)sc2c1 ZINC000475705189 996312080 /nfs/dbraw/zinc/31/20/80/996312080.db2.gz SRYQBXAALWTMDO-UHFFFAOYSA-N 2 0 416.635 3.933 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000483686027 996328482 /nfs/dbraw/zinc/32/84/82/996328482.db2.gz OVWSEDCCIWHKEU-QHCPKHFHSA-N 2 0 400.611 3.646 20 0 HHADRP O[C@@H](COCc1cccs1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729535 996328954 /nfs/dbraw/zinc/32/89/54/996328954.db2.gz NNFIVTOXAUVPCW-GGAORHGYSA-N 2 0 400.588 3.614 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@@H]1C ZINC000483692275 996331898 /nfs/dbraw/zinc/33/18/98/996331898.db2.gz LFHINYXDWLSOAU-REWPJTCUSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1C ZINC000483708515 996341276 /nfs/dbraw/zinc/34/12/76/996341276.db2.gz JMUJBIWNROVUDG-UTKZUKDTSA-N 2 0 407.002 3.819 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800088 996396079 /nfs/dbraw/zinc/39/60/79/996396079.db2.gz AZOFQGXDGKRHQG-RXVVDRJESA-N 2 0 418.582 3.701 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000483845809 996423006 /nfs/dbraw/zinc/42/30/06/996423006.db2.gz AYEDJHPBFOEKEA-UHFFFAOYSA-N 2 0 424.589 3.941 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000484285435 996679313 /nfs/dbraw/zinc/67/93/13/996679313.db2.gz BOPRRFGGUUZUIT-IBGZPJMESA-N 2 0 407.986 3.770 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Br)s1 ZINC000484313963 996696888 /nfs/dbraw/zinc/69/68/88/996696888.db2.gz VJRTZYBMNBQUEI-ZDUSSCGKSA-N 2 0 416.429 3.788 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1Br ZINC000484315499 996697854 /nfs/dbraw/zinc/69/78/54/996697854.db2.gz XBJRLQPEVQFFMF-OAHLLOKOSA-N 2 0 410.400 3.726 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728045 997277466 /nfs/dbraw/zinc/27/74/66/997277466.db2.gz PICAGXRFOOPEOY-SFTDATJTSA-N 2 0 400.592 3.561 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728044 997277679 /nfs/dbraw/zinc/27/76/79/997277679.db2.gz PICAGXRFOOPEOY-RTWAWAEBSA-N 2 0 400.592 3.561 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000485000055 997363381 /nfs/dbraw/zinc/36/33/81/997363381.db2.gz FDPMQIPBMAEYBR-ICSRJNTNSA-N 2 0 420.598 3.752 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)c1 ZINC000485117540 997500436 /nfs/dbraw/zinc/50/04/36/997500436.db2.gz DBMCXBRDFVZXPD-GOTSBHOMSA-N 2 0 414.638 3.821 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000485220680 997594871 /nfs/dbraw/zinc/59/48/71/997594871.db2.gz RHLOLPNKESKIKG-XMMPIXPASA-N 2 0 424.589 3.509 20 0 HHADRP COc1ccc(COC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000476975044 997594829 /nfs/dbraw/zinc/59/48/29/997594829.db2.gz QMGDHNFBZLOKSI-OFNKIYASSA-N 2 0 404.595 3.549 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000476980812 997601647 /nfs/dbraw/zinc/60/16/47/997601647.db2.gz HFINUZFKEGTTJE-GOSISDBHSA-N 2 0 407.549 3.600 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000476985606 997610393 /nfs/dbraw/zinc/61/03/93/997610393.db2.gz ODGJIGKQGPHNRD-IBGZPJMESA-N 2 0 400.567 3.701 20 0 HHADRP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476995397 997624366 /nfs/dbraw/zinc/62/43/66/997624366.db2.gz NLDXILJEKIETCO-MOPGFXCFSA-N 2 0 403.636 3.998 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011412 997644687 /nfs/dbraw/zinc/64/46/87/997644687.db2.gz YFNINTOIJUYDQH-WIYYLYMNSA-N 2 0 403.929 3.964 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000485287350 997685595 /nfs/dbraw/zinc/68/55/95/997685595.db2.gz KJAGNMNWNJMGSH-JDBUVZGPSA-N 2 0 412.622 3.790 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000485397058 997826292 /nfs/dbraw/zinc/82/62/92/997826292.db2.gz QOGMAKAGWABNOU-NJYVYQBISA-N 2 0 400.611 3.648 20 0 HHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486145989 998595075 /nfs/dbraw/zinc/59/50/75/998595075.db2.gz OGFHZAWLKVQLBU-QFIPXVFZSA-N 2 0 409.578 3.509 20 0 HHADRP Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477868615 998618118 /nfs/dbraw/zinc/61/81/18/998618118.db2.gz WHSNAGPYENZOPM-UHFFFAOYSA-N 2 0 407.606 3.997 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000486214206 998651605 /nfs/dbraw/zinc/65/16/05/998651605.db2.gz LKOFRUGOACVGIN-MLDBQTBOSA-N 2 0 400.611 3.878 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000486217886 998654439 /nfs/dbraw/zinc/65/44/39/998654439.db2.gz BSDHBSDBIIMIIW-PKTZIBPZSA-N 2 0 400.611 3.934 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000486217889 998654576 /nfs/dbraw/zinc/65/45/76/998654576.db2.gz BSDHBSDBIIMIIW-XZOQPEGZSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCOC2(C1)CCCCCC2 ZINC000478060881 998742600 /nfs/dbraw/zinc/74/26/00/998742600.db2.gz OQJUAUXRROAACY-NRFANRHFSA-N 2 0 413.606 3.581 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567139 998830303 /nfs/dbraw/zinc/83/03/03/998830303.db2.gz PBFAVNPNZAIKAQ-XMSQKQJNSA-N 2 0 406.530 3.957 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478415114 998945997 /nfs/dbraw/zinc/94/59/97/998945997.db2.gz JIOHSCMSPWVPBP-WOJBJXKFSA-N 2 0 400.611 3.564 20 0 HHADRP Cc1cnccc1OC1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000487282106 999123367 /nfs/dbraw/zinc/12/33/67/999123367.db2.gz OGOMKEYXRGJHGC-WOJBJXKFSA-N 2 0 423.557 3.683 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000478896497 999199270 /nfs/dbraw/zinc/19/92/70/999199270.db2.gz FITUQDKBXMKJDB-BWKNWUBXSA-N 2 0 422.617 3.993 20 0 HHADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)CCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000479065384 999276909 /nfs/dbraw/zinc/27/69/09/999276909.db2.gz HMKWJCSPLFDDKL-CBGDNZLLSA-N 2 0 408.428 3.936 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000479076339 999282766 /nfs/dbraw/zinc/28/27/66/999282766.db2.gz YTSZWOFOOCIBFC-KRWDZBQOSA-N 2 0 421.632 3.575 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000487980465 999335366 /nfs/dbraw/zinc/33/53/66/999335366.db2.gz UBGLXLPWCMXOAX-HSZRJFAPSA-N 2 0 401.570 3.907 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000479255780 999350233 /nfs/dbraw/zinc/35/02/33/999350233.db2.gz FXCZLIWXSBHLGW-GOSISDBHSA-N 2 0 417.395 3.577 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cc3ccc(Br)cc3)cn2)CC1 ZINC000479269354 999356923 /nfs/dbraw/zinc/35/69/23/999356923.db2.gz KXCDRVHZVNCOIF-QGZVFWFLSA-N 2 0 417.395 3.707 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1cccc(OC)c1 ZINC000488127781 999385075 /nfs/dbraw/zinc/38/50/75/999385075.db2.gz KTTUZGZRALDDOT-CVDCTZTESA-N 2 0 416.610 3.594 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)cn2)CC1 ZINC000479332264 999389656 /nfs/dbraw/zinc/38/96/56/999389656.db2.gz SNHKQCKDKFOQQJ-QHCPKHFHSA-N 2 0 416.573 3.576 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000479344637 999395450 /nfs/dbraw/zinc/39/54/50/999395450.db2.gz FZDJBKBQPIDQNC-NFBKMPQASA-N 2 0 400.611 3.933 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000479358858 999402439 /nfs/dbraw/zinc/40/24/39/999402439.db2.gz MDXPQPPFMKVAPA-UHFFFAOYSA-N 2 0 412.578 3.785 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000488182923 999405454 /nfs/dbraw/zinc/40/54/54/999405454.db2.gz LQNGHUNUQJJQLL-RUZDIDTESA-N 2 0 406.574 3.652 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000488461144 999493845 /nfs/dbraw/zinc/49/38/45/999493845.db2.gz OVZXPSGPDNGHPF-HSZRJFAPSA-N 2 0 422.573 3.534 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564329 999529444 /nfs/dbraw/zinc/52/94/44/999529444.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 2 0 420.601 3.859 20 0 HHADRP c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000488586738 999536695 /nfs/dbraw/zinc/53/66/95/999536695.db2.gz LZDARTFBWPOIQV-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP c1csc([C@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646911 999556930 /nfs/dbraw/zinc/55/69/30/999556930.db2.gz QOSSYYZEFKLDCS-ROUUACIJSA-N 2 0 406.621 3.675 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666277 999564457 /nfs/dbraw/zinc/56/44/57/999564457.db2.gz FKFNWZJMONFZBH-XUZZJYLKSA-N 2 0 420.601 3.782 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H](C)C1 ZINC000488963850 999659077 /nfs/dbraw/zinc/65/90/77/999659077.db2.gz XGBGACJKKHJVPQ-BVCNVDNMSA-N 2 0 410.606 3.554 20 0 HHADRP Clc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000479951400 999660676 /nfs/dbraw/zinc/66/06/76/999660676.db2.gz AMFRANZJGSDPAM-UHFFFAOYSA-N 2 0 410.747 3.517 20 0 HHADRP COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000489158354 999713659 /nfs/dbraw/zinc/71/36/59/999713659.db2.gz RMCVSYYXJPINFG-FQEVSTJZSA-N 2 0 409.574 3.605 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489210023 999723145 /nfs/dbraw/zinc/72/31/45/999723145.db2.gz ZXQPTVQMQGRKGT-IPJJNNNSSA-N 2 0 414.619 3.951 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290218 999738327 /nfs/dbraw/zinc/73/83/27/999738327.db2.gz AZPCMBUNJHDSAJ-LEOXJPRUSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000480233320 999752361 /nfs/dbraw/zinc/75/23/61/999752361.db2.gz UZOBICCLVWPEFP-ULJIIRHISA-N 2 0 400.588 3.884 20 0 HHADRP c1c[nH]c(C2CC[NH+](Cc3ccccc3C[NH+]3CCC(c4ncc[nH]4)CC3)CC2)n1 ZINC000489386006 999756243 /nfs/dbraw/zinc/75/62/43/999756243.db2.gz DYZQQUCMBAYHLB-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP c1cn(C2CC[NH+](Cc3ccccc3C[NH+]3CCC(n4ccnc4)CC3)CC2)cn1 ZINC000489392888 999757445 /nfs/dbraw/zinc/75/74/45/999757445.db2.gz QBKRPHHYHCFODK-UHFFFAOYSA-N 2 0 404.562 3.754 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H](C)C1 ZINC000489410739 999761146 /nfs/dbraw/zinc/76/11/46/999761146.db2.gz ZPKLXPWMCWEFKY-RVDAZCDBSA-N 2 0 404.624 3.503 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000489421565 999763985 /nfs/dbraw/zinc/76/39/85/999763985.db2.gz HBLPZPZLQFUIDY-UHFFFAOYSA-N 2 0 423.605 3.733 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000489424190 999764572 /nfs/dbraw/zinc/76/45/72/999764572.db2.gz PVPPZYWYZONNRP-UHFFFAOYSA-N 2 0 423.605 3.651 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430286 999765899 /nfs/dbraw/zinc/76/58/99/999765899.db2.gz GRDODQKTCQKTIN-QHAWAJNXSA-N 2 0 400.611 3.659 20 0 HHADRP c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000489461951 999772347 /nfs/dbraw/zinc/77/23/47/999772347.db2.gz ZKQPGBAOWZEIKI-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000489527548 999784568 /nfs/dbraw/zinc/78/45/68/999784568.db2.gz QIIYDAQOXPRLPG-HOJAQTOUSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000489536888 999787247 /nfs/dbraw/zinc/78/72/47/999787247.db2.gz YHVUMHKYZJRRFR-JRGCBEDISA-N 2 0 400.592 3.561 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735805 999827933 /nfs/dbraw/zinc/82/79/33/999827933.db2.gz GUDJQTUJUXHRIX-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489774037 999835582 /nfs/dbraw/zinc/83/55/82/999835582.db2.gz GINZFMGATFZCQT-RTBURBONSA-N 2 0 414.516 3.651 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000480617760 999842468 /nfs/dbraw/zinc/84/24/68/999842468.db2.gz VULHIDMMLUDCCC-PXNSSMCTSA-N 2 0 412.416 3.532 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838676 999846909 /nfs/dbraw/zinc/84/69/09/999846909.db2.gz UGRSJKXVOFJQOO-XUZZJYLKSA-N 2 0 408.590 3.718 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000489847294 999848662 /nfs/dbraw/zinc/84/86/62/999848662.db2.gz ZEFFQXHIABDFBD-UKILVPOCSA-N 2 0 420.601 3.687 20 0 HHADRP c1cn(-c2ccccc2)c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000480645877 999850133 /nfs/dbraw/zinc/85/01/33/999850133.db2.gz QGIHZJODCJTPPQ-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489895434 999857450 /nfs/dbraw/zinc/85/74/50/999857450.db2.gz BSMGMKKVJHXSCR-NRFANRHFSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712187 999865513 /nfs/dbraw/zinc/86/55/13/999865513.db2.gz ILXLZZPFFLMDRH-IFMALSPDSA-N 2 0 413.606 3.657 20 0 HHADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000490752432 1000000850 /nfs/dbraw/zinc/00/08/50/1000000850.db2.gz BUTBLZGOWPKQQT-OAQYLSRUSA-N 2 0 400.567 3.703 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147252 1000050258 /nfs/dbraw/zinc/05/02/58/1000050258.db2.gz WUQHZPVWCKZWGC-SGKWCMOWSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000491973897 1000102667 /nfs/dbraw/zinc/10/26/67/1000102667.db2.gz ACHKPSRDOHDEKI-LJQANCHMSA-N 2 0 418.545 3.880 20 0 HHADRP Clc1cc(Br)cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000492273393 1000119486 /nfs/dbraw/zinc/11/94/86/1000119486.db2.gz KOAZOPYFWDCQLM-UHFFFAOYSA-N 2 0 410.747 3.517 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492426257 1000126483 /nfs/dbraw/zinc/12/64/83/1000126483.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 2 0 420.601 3.513 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1OC ZINC000493735432 1000188756 /nfs/dbraw/zinc/18/87/56/1000188756.db2.gz HTZPIRWAAPRPHK-WTIAFYNJSA-N 2 0 402.579 3.853 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000493900444 1000205115 /nfs/dbraw/zinc/20/51/15/1000205115.db2.gz MAEQGVGZHXJFSK-MISYRCLQSA-N 2 0 409.496 3.504 20 0 HHADRP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978613 1000249762 /nfs/dbraw/zinc/24/97/62/1000249762.db2.gz TWMVMCWPDYSDSQ-IRLDBZIGSA-N 2 0 415.965 3.515 20 0 HHADRP Cc1nc2ccc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2s1 ZINC000494028881 1000276129 /nfs/dbraw/zinc/27/61/29/1000276129.db2.gz TYNYYUZVFVRIIA-HXUWFJFHSA-N 2 0 408.571 3.592 20 0 HHADRP CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504744574 1000351464 /nfs/dbraw/zinc/35/14/64/1000351464.db2.gz BTXMZPUJVDICSU-NRFANRHFSA-N 2 0 410.562 3.553 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504876404 1000420755 /nfs/dbraw/zinc/42/07/55/1000420755.db2.gz OHYXXNNYNKQUGG-QFIPXVFZSA-N 2 0 421.589 3.533 20 0 HHADRP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504887137 1000428320 /nfs/dbraw/zinc/42/83/20/1000428320.db2.gz AIBPLBJVIABBPN-DENIHFKCSA-N 2 0 410.562 3.553 20 0 HHADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000504907106 1000440998 /nfs/dbraw/zinc/44/09/98/1000440998.db2.gz CSNRZQHWCYIHJR-XMMPIXPASA-N 2 0 406.574 3.569 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504909010 1000442267 /nfs/dbraw/zinc/44/22/67/1000442267.db2.gz NLIDSSGLFUTYBD-RDPSFJRHSA-N 2 0 406.574 3.570 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504931028 1000455297 /nfs/dbraw/zinc/45/52/97/1000455297.db2.gz RSLFCMNJTOQXHW-VXKWHMMOSA-N 2 0 410.562 3.770 20 0 HHADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494566754 1000557645 /nfs/dbraw/zinc/55/76/45/1000557645.db2.gz WUDRZKWEMOIAEU-XUZZJYLKSA-N 2 0 415.622 3.542 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494679295 1000599881 /nfs/dbraw/zinc/59/98/81/1000599881.db2.gz LPUWRSSFFXWZLG-UHFFFAOYSA-N 2 0 423.601 3.615 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000494745127 1000631659 /nfs/dbraw/zinc/63/16/59/1000631659.db2.gz GXMTYUONBPWVFT-SANMLTNESA-N 2 0 421.585 3.787 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000505738129 1001001052 /nfs/dbraw/zinc/00/10/52/1001001052.db2.gz MUCODVJMIPSDPP-WMZHIEFXSA-N 2 0 411.590 3.826 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506012939 1001162414 /nfs/dbraw/zinc/16/24/14/1001162414.db2.gz PHTJQXVIFNIKPY-RBUKOAKNSA-N 2 0 422.013 3.730 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016051 1001164659 /nfs/dbraw/zinc/16/46/59/1001164659.db2.gz CMIQRRJDOIHYQW-OAQYLSRUSA-N 2 0 401.501 3.522 20 0 HHADRP Clc1cnn(C2CC[NH+](CCC[NH+]3CCC(n4cc(Cl)cn4)CC3)CC2)c1 ZINC000506031097 1001176539 /nfs/dbraw/zinc/17/65/39/1001176539.db2.gz JYAPVCGMDXCRHC-UHFFFAOYSA-N 2 0 411.381 3.751 20 0 HHADRP Cc1sc2nc([C@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc(N)c2c1C ZINC000506032626 1001177653 /nfs/dbraw/zinc/17/76/53/1001177653.db2.gz RDUFLKXVCBJRHF-INIZCTEOSA-N 2 0 417.623 3.776 20 0 HHADRP c1csc(-c2noc(CCC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)c1 ZINC000506042818 1001185581 /nfs/dbraw/zinc/18/55/81/1001185581.db2.gz YVDZDLGGRUUZJN-UHFFFAOYSA-N 2 0 404.580 3.555 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470533 1001426731 /nfs/dbraw/zinc/42/67/31/1001426731.db2.gz SIFURNFRHVISOO-IFMALSPDSA-N 2 0 413.537 3.892 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000506618969 1001473127 /nfs/dbraw/zinc/47/31/27/1001473127.db2.gz ONLKZJRSHHLPJG-UHFFFAOYSA-N 2 0 421.585 3.932 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[NH+](C)C)cc1 ZINC000506621464 1001473999 /nfs/dbraw/zinc/47/39/99/1001473999.db2.gz RPMPCQHXDMOPLX-GIWBLDEGSA-N 2 0 400.611 3.894 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccco1 ZINC000506623868 1001474843 /nfs/dbraw/zinc/47/48/43/1001474843.db2.gz FCEDXMNFYGVGPJ-NJDAHSKKSA-N 2 0 404.599 3.959 20 0 HHADRP CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000497656991 1001474938 /nfs/dbraw/zinc/47/49/38/1001474938.db2.gz KLSXOLUGDMSCJK-LEWJYISDSA-N 2 0 404.624 3.960 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000506742158 1001510722 /nfs/dbraw/zinc/51/07/22/1001510722.db2.gz DIRZQTDMYCXXKA-UHFFFAOYSA-N 2 0 418.589 3.641 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000498031329 1001613661 /nfs/dbraw/zinc/61/36/61/1001613661.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 2 0 418.607 3.888 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH+]3CCCC[C@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000498114145 1001646648 /nfs/dbraw/zinc/64/66/48/1001646648.db2.gz LNXVNUNFPFQFLJ-YFXJRYMSSA-N 2 0 414.594 3.537 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498115559 1001647037 /nfs/dbraw/zinc/64/70/37/1001647037.db2.gz AWKRMUQJLZHAEJ-HARLFGEKSA-N 2 0 412.553 3.638 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000506981197 1001744504 /nfs/dbraw/zinc/74/45/04/1001744504.db2.gz BVSIYWRYPACVMW-OAHLLOKOSA-N 2 0 418.916 3.821 20 0 HHADRP CCC1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276144 1001749813 /nfs/dbraw/zinc/74/98/13/1001749813.db2.gz NAPKLCJORBQCAU-PKTZIBPZSA-N 2 0 412.622 3.805 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616855 1002017105 /nfs/dbraw/zinc/01/71/05/1002017105.db2.gz JUJQAHCMUPYCCH-LADGPHEKSA-N 2 0 421.585 3.861 20 0 HHADRP c1cc(N2CC[NH+](CCCNc3ncnc4sc5c(c43)CCCC5)CC2)cc[nH+]1 ZINC000498649292 1002049094 /nfs/dbraw/zinc/04/90/94/1002049094.db2.gz PFHMLWSENTYBLN-UHFFFAOYSA-N 2 0 408.575 3.589 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498687375 1002074456 /nfs/dbraw/zinc/07/44/56/1002074456.db2.gz ATEGVHJRTRWUHK-NFBKMPQASA-N 2 0 400.611 3.660 20 0 HHADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507510914 1002121723 /nfs/dbraw/zinc/12/17/23/1002121723.db2.gz NNJOIVNWZDXVBS-UODIDJSMSA-N 2 0 413.565 3.897 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498901021 1002292335 /nfs/dbraw/zinc/29/23/35/1002292335.db2.gz LFBZTXRTUWDKPR-JTHBVZDNSA-N 2 0 400.611 3.947 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000507858622 1002394614 /nfs/dbraw/zinc/39/46/14/1002394614.db2.gz GCXRIUFNUYYFBU-UHFFFAOYSA-N 2 0 409.578 3.626 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102066 1002493100 /nfs/dbraw/zinc/49/31/00/1002493100.db2.gz QDSWICGKVVXSLQ-YGOYIFOWSA-N 2 0 424.589 3.508 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114483 1002503941 /nfs/dbraw/zinc/50/39/41/1002503941.db2.gz XVFJKMLFMYZYNP-BLKABHOGSA-N 2 0 412.578 3.919 20 0 HHADRP Fc1cccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139406 1002523933 /nfs/dbraw/zinc/52/39/33/1002523933.db2.gz OXBNAPADZGLAIV-XDZVQPMWSA-N 2 0 423.576 3.984 20 0 HHADRP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139597 1002524689 /nfs/dbraw/zinc/52/46/89/1002524689.db2.gz PUNPOAMXLKNYOL-FDTGPBLFSA-N 2 0 410.558 3.913 20 0 HHADRP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150779 1002534745 /nfs/dbraw/zinc/53/47/45/1002534745.db2.gz ZCWSXXKYFDQIOV-KQPVPGJTSA-N 2 0 418.629 3.982 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221130 1002607032 /nfs/dbraw/zinc/60/70/32/1002607032.db2.gz CYASOIIQNAEJGW-STAKNXPZSA-N 2 0 418.629 3.982 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499473410 1002860644 /nfs/dbraw/zinc/86/06/44/1002860644.db2.gz HHILEHKZNQMBRN-UHFFFAOYSA-N 2 0 423.626 3.972 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1Cl ZINC000499509282 1002898978 /nfs/dbraw/zinc/89/89/78/1002898978.db2.gz QCVCTKNVDFLCMM-HNNXBMFYSA-N 2 0 416.791 3.591 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662562 1003021586 /nfs/dbraw/zinc/02/15/86/1003021586.db2.gz HOOIPNQLGHPVAH-ZJSXRUAMSA-N 2 0 404.602 3.724 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712682 1003150501 /nfs/dbraw/zinc/15/05/01/1003150501.db2.gz ROMYTALSLJVDQV-IRLDBZIGSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718986 1003158952 /nfs/dbraw/zinc/15/89/52/1003158952.db2.gz OOMSCOCFWQTULM-MSLLRLGPSA-N 3 0 420.645 3.865 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722062 1003162781 /nfs/dbraw/zinc/16/27/81/1003162781.db2.gz WQANDVKOUVANGP-DFCKQENNSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508843782 1003264502 /nfs/dbraw/zinc/26/45/02/1003264502.db2.gz FTYONQGDNRMFGU-WMZHIEFXSA-N 2 0 409.578 3.631 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874918 1003294687 /nfs/dbraw/zinc/29/46/87/1003294687.db2.gz VMXODEHPRJDQAM-YFXJRYMSSA-N 2 0 412.578 3.597 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875265 1003294827 /nfs/dbraw/zinc/29/48/27/1003294827.db2.gz BVOGYZCJBOSYKV-WTNAPCKOSA-N 2 0 400.542 3.727 20 0 HHADRP Cn1nccc1-c1ccccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000508879492 1003300405 /nfs/dbraw/zinc/30/04/05/1003300405.db2.gz QLOPRKKLMQJPPU-UHFFFAOYSA-N 2 0 409.622 3.715 20 0 HHADRP C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508897645 1003329304 /nfs/dbraw/zinc/32/93/04/1003329304.db2.gz OHIDZQXMIVMMGF-CVJWPJSTSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906763 1003344246 /nfs/dbraw/zinc/34/42/46/1003344246.db2.gz OHENNLFGMQDVDK-ADYITMSISA-N 2 0 400.611 3.974 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1sccc1-c1ccccc1 ZINC000500067336 1003417074 /nfs/dbraw/zinc/41/70/74/1003417074.db2.gz ZBQIECJBPFJWMR-UHFFFAOYSA-N 2 0 406.555 3.752 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[NH+](C)C)cc1 ZINC000500131219 1003491871 /nfs/dbraw/zinc/49/18/71/1003491871.db2.gz HOZSCSJCSRCUQF-XMMPIXPASA-N 2 0 408.590 3.947 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000509042059 1003511532 /nfs/dbraw/zinc/51/15/32/1003511532.db2.gz YDQXUSSOWXGKBC-FQEVSTJZSA-N 2 0 407.002 3.993 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131927 1003575407 /nfs/dbraw/zinc/57/54/07/1003575407.db2.gz MBGOEUAMHYMKOC-FPOVZHCZSA-N 2 0 414.619 3.951 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000500245560 1003578699 /nfs/dbraw/zinc/57/86/99/1003578699.db2.gz MPSYBNZSHUJDFH-UHFFFAOYSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000500689332 1003897247 /nfs/dbraw/zinc/89/72/47/1003897247.db2.gz RXIBCKMNDVOIMF-WOJBJXKFSA-N 2 0 400.611 3.648 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccco1 ZINC000511961782 1003922480 /nfs/dbraw/zinc/92/24/80/1003922480.db2.gz ULGDIXKONGYXSI-HXUWFJFHSA-N 2 0 401.576 3.641 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000509566192 1003948523 /nfs/dbraw/zinc/94/85/23/1003948523.db2.gz DCVQMXSTJMFDFF-SNRMKQJTSA-N 2 0 406.958 3.964 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594395 1003967969 /nfs/dbraw/zinc/96/79/69/1003967969.db2.gz FDGJDCUMBYRMJH-BVSLBCMMSA-N 2 0 412.578 3.872 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512091902 1004016261 /nfs/dbraw/zinc/01/62/61/1004016261.db2.gz VJTDYHOPKZALOV-RBBKRZOGSA-N 2 0 400.611 3.851 20 0 HHADRP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000509683534 1004027762 /nfs/dbraw/zinc/02/77/62/1004027762.db2.gz JFLBLUFZFPTBFU-UHFFFAOYSA-N 2 0 407.986 3.612 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000509686776 1004029859 /nfs/dbraw/zinc/02/98/59/1004029859.db2.gz SJCQEOCFZUKDHC-XMMPIXPASA-N 2 0 422.598 3.595 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509709392 1004043133 /nfs/dbraw/zinc/04/31/33/1004043133.db2.gz BTZCTDXUFMSWDR-IFMALSPDSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512150839 1004059926 /nfs/dbraw/zinc/05/99/26/1004059926.db2.gz WORDMKFJAYFDGV-PWGHIRGTSA-N 2 0 410.650 3.804 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163665 1004068843 /nfs/dbraw/zinc/06/88/43/1004068843.db2.gz GZDZRCLARSGOPN-DHIUTWEWSA-N 2 0 412.622 3.660 20 0 HHADRP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(SC)cc1OC ZINC000512177552 1004079779 /nfs/dbraw/zinc/07/97/79/1004079779.db2.gz FDJVHBRXJUITHV-CALCHBBNSA-N 2 0 408.608 3.747 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509777146 1004088807 /nfs/dbraw/zinc/08/88/07/1004088807.db2.gz LVKUHBJCFUYUGY-HYBUGGRVSA-N 2 0 408.590 3.848 20 0 HHADRP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000500993250 1004099792 /nfs/dbraw/zinc/09/97/92/1004099792.db2.gz PVZVEIHUQPDQPM-UHFFFAOYSA-N 2 0 404.649 3.954 20 0 HHADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036328 1004139038 /nfs/dbraw/zinc/13/90/38/1004139038.db2.gz YOEVJPNGUPPXIN-OAQYLSRUSA-N 2 0 412.603 3.827 20 0 HHADRP C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035485 1004139065 /nfs/dbraw/zinc/13/90/65/1004139065.db2.gz ALGSRAVHIVSZCE-UHFFFAOYSA-N 2 0 420.601 3.858 20 0 HHADRP COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501048967 1004150457 /nfs/dbraw/zinc/15/04/57/1004150457.db2.gz ACHHRUDHCTYZSJ-LJQANCHMSA-N 2 0 412.578 3.738 20 0 HHADRP CN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000501053156 1004155723 /nfs/dbraw/zinc/15/57/23/1004155723.db2.gz NBTMMMVLSPEABE-UHFFFAOYSA-N 2 0 409.559 3.503 20 0 HHADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053392 1004156447 /nfs/dbraw/zinc/15/64/47/1004156447.db2.gz NJZIWMLAVNXLTQ-SFHVURJKSA-N 2 0 403.530 3.805 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060651 1004162503 /nfs/dbraw/zinc/16/25/03/1004162503.db2.gz BPZQAZDKOPNZMC-MRXNPFEDSA-N 2 0 416.953 3.919 20 0 HHADRP CCOc1ccc(-c2noc(C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000501062313 1004164474 /nfs/dbraw/zinc/16/44/74/1004164474.db2.gz JFRWOZAXJFOARC-UHFFFAOYSA-N 2 0 407.518 3.879 20 0 HHADRP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512265205 1004166448 /nfs/dbraw/zinc/16/64/48/1004166448.db2.gz OWTGRDQCEYKYFQ-IBGZPJMESA-N 2 0 423.605 3.540 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512268736 1004169324 /nfs/dbraw/zinc/16/93/24/1004169324.db2.gz TUVICOPUKMMQQM-OTWHNJEPSA-N 2 0 400.567 3.701 20 0 HHADRP C[C@H](CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000501069655 1004172775 /nfs/dbraw/zinc/17/27/75/1004172775.db2.gz IHBYYSFQSQJGJP-OAQYLSRUSA-N 2 0 423.605 3.850 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000501086027 1004190816 /nfs/dbraw/zinc/19/08/16/1004190816.db2.gz UWKKSWLUTBNBAF-REWPJTCUSA-N 2 0 421.589 3.602 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000501085170 1004191017 /nfs/dbraw/zinc/19/10/17/1004191017.db2.gz MSTXZUBIYPAQBM-PZJWPPBQSA-N 2 0 406.640 3.894 20 0 HHADRP CN(C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000501093676 1004198643 /nfs/dbraw/zinc/19/86/43/1004198643.db2.gz ZGEFRHOSMSTXEZ-TURNAIKZSA-N 2 0 422.976 3.739 20 0 HHADRP CN(C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000501093674 1004198776 /nfs/dbraw/zinc/19/87/76/1004198776.db2.gz ZGEFRHOSMSTXEZ-CSVWITEBSA-N 2 0 422.976 3.739 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000501164466 1004246721 /nfs/dbraw/zinc/24/67/21/1004246721.db2.gz NOIIDNXUHVMFEE-OAQYLSRUSA-N 2 0 400.592 3.658 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402961 1004273100 /nfs/dbraw/zinc/27/31/00/1004273100.db2.gz BCDUYDFVQKISHX-PRTQVNTJSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000510029428 1004276870 /nfs/dbraw/zinc/27/68/70/1004276870.db2.gz MESJQPACJXCVLY-KMFTYDHNSA-N 2 0 422.013 3.858 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413265 1004280395 /nfs/dbraw/zinc/28/03/95/1004280395.db2.gz USADKKCDAVUDDX-RBBKRZOGSA-N 2 0 412.578 3.654 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512423917 1004289317 /nfs/dbraw/zinc/28/93/17/1004289317.db2.gz LNBNMKPJVQIVMC-JRFVFWCSSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512424840 1004291237 /nfs/dbraw/zinc/29/12/37/1004291237.db2.gz URXXLTYARIKWTK-NHTMILBNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512429303 1004296176 /nfs/dbraw/zinc/29/61/76/1004296176.db2.gz FJLGDKHONUVADX-NZQKXSOJSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510070605 1004303650 /nfs/dbraw/zinc/30/36/50/1004303650.db2.gz HZIBNCALKQHRLA-KRWDZBQOSA-N 2 0 413.541 3.522 20 0 HHADRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1OCC(F)(F)F ZINC000512461335 1004319799 /nfs/dbraw/zinc/31/97/99/1004319799.db2.gz CNHUCZUQIDKMAE-UHFFFAOYSA-N 2 0 416.484 3.571 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000510119345 1004337767 /nfs/dbraw/zinc/33/77/67/1004337767.db2.gz NVLCXCDKQYVHAX-UNMCSNQZSA-N 2 0 409.574 3.658 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000510150876 1004359279 /nfs/dbraw/zinc/35/92/79/1004359279.db2.gz XCETUUKSWCDSCV-UHFFFAOYSA-N 2 0 408.590 3.598 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386034 1004381920 /nfs/dbraw/zinc/38/19/20/1004381920.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 2 0 420.601 3.859 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387588 1004383670 /nfs/dbraw/zinc/38/36/70/1004383670.db2.gz IADCSYLSISTWLD-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CC[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000501406684 1004397300 /nfs/dbraw/zinc/39/73/00/1004397300.db2.gz PLHYNBBCAHPCAN-VWLOTQADSA-N 2 0 420.601 3.919 20 0 HHADRP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N(Cc2ccccc2)C1 ZINC000512626892 1004439489 /nfs/dbraw/zinc/43/94/89/1004439489.db2.gz XJBSZPFXRJJPGE-SHZNSVIDSA-N 2 0 419.613 3.512 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000510330632 1004487064 /nfs/dbraw/zinc/48/70/64/1004487064.db2.gz YQMNKZREVJPSKF-UHFFFAOYSA-N 2 0 420.601 3.744 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533512 1004496661 /nfs/dbraw/zinc/49/66/61/1004496661.db2.gz AROXWEFMDFLEPE-OAQYLSRUSA-N 2 0 416.928 3.828 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534270 1004497709 /nfs/dbraw/zinc/49/77/09/1004497709.db2.gz CTXOECNLZOABMX-WOJBJXKFSA-N 2 0 406.574 3.986 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534269 1004497753 /nfs/dbraw/zinc/49/77/53/1004497753.db2.gz CTXOECNLZOABMX-VQTJNVASSA-N 2 0 406.574 3.986 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501536197 1004498525 /nfs/dbraw/zinc/49/85/25/1004498525.db2.gz PSNRCKCJTLZCJG-HXUWFJFHSA-N 2 0 421.010 3.968 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000512714811 1004513858 /nfs/dbraw/zinc/51/38/58/1004513858.db2.gz YYAIHDGLFHLTLD-UHFFFAOYSA-N 2 0 401.595 3.536 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cc2)CC1 ZINC000510383914 1004525389 /nfs/dbraw/zinc/52/53/89/1004525389.db2.gz HRFGEYCNTSYNPA-UHFFFAOYSA-N 2 0 408.590 3.599 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512831081 1004589227 /nfs/dbraw/zinc/58/92/27/1004589227.db2.gz FDALZVWVINZHLK-JTHBVZDNSA-N 2 0 416.610 3.736 20 0 HHADRP FC(F)OC[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831312 1004589338 /nfs/dbraw/zinc/58/93/38/1004589338.db2.gz BXSXFZAZCTUVHN-ROUUACIJSA-N 2 0 404.448 3.809 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510570078 1004714775 /nfs/dbraw/zinc/71/47/75/1004714775.db2.gz FAYSNUYXEZGBBC-DENIHFKCSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580456 1004727818 /nfs/dbraw/zinc/72/78/18/1004727818.db2.gz OJGZWJWLIXVRFJ-NFBKMPQASA-N 2 0 412.622 3.851 20 0 HHADRP COc1cc(NC(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)c(OC)cc1Cl ZINC000501792641 1004735351 /nfs/dbraw/zinc/73/53/51/1004735351.db2.gz KGZZVZKEWXCEMR-UHFFFAOYSA-N 2 0 411.974 3.740 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501801331 1004743041 /nfs/dbraw/zinc/74/30/41/1004743041.db2.gz SPSPPBOXCUTILU-PSWAGMNNSA-N 2 0 406.574 3.960 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000501809164 1004749899 /nfs/dbraw/zinc/74/98/99/1004749899.db2.gz HUXPHGWBCCUSOH-VWLOTQADSA-N 2 0 405.586 3.783 20 0 HHADRP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000501813507 1004752746 /nfs/dbraw/zinc/75/27/46/1004752746.db2.gz BVISYQLQURQMFF-OAQYLSRUSA-N 2 0 421.651 3.654 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(c4nc(C)cs4)CC3)CC2)cc1 ZINC000513055872 1004782491 /nfs/dbraw/zinc/78/24/91/1004782491.db2.gz CMFGWHNCQCLUTR-UHFFFAOYSA-N 2 0 414.619 3.931 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000501885265 1004795622 /nfs/dbraw/zinc/79/56/22/1004795622.db2.gz FUDVOTNFPZWBGO-UHFFFAOYSA-N 2 0 408.590 3.599 20 0 HHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000510698982 1004805120 /nfs/dbraw/zinc/80/51/20/1004805120.db2.gz BAXAHVPGNMSYMK-QGZVFWFLSA-N 2 0 406.496 3.963 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Br)cc2Cl)CC1 ZINC000501939546 1004819867 /nfs/dbraw/zinc/81/98/67/1004819867.db2.gz TVNWSDNRURQTEA-UHFFFAOYSA-N 2 0 402.808 3.950 20 0 HHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000510731004 1004821079 /nfs/dbraw/zinc/82/10/79/1004821079.db2.gz DZGNHKBNYMUQIW-OAQYLSRUSA-N 2 0 415.379 3.633 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510822134 1004874546 /nfs/dbraw/zinc/87/45/46/1004874546.db2.gz SQRSJJZKABCRIT-HSZRJFAPSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)C[C@@H](C)O1 ZINC000513350483 1004922976 /nfs/dbraw/zinc/92/29/76/1004922976.db2.gz DUSBJTFHZQTJLZ-NHCUHLMSSA-N 2 0 421.585 3.822 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513393507 1004941195 /nfs/dbraw/zinc/94/11/95/1004941195.db2.gz GWRBKJWJEGUNSE-VWLOTQADSA-N 2 0 402.542 3.507 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000513449681 1004972105 /nfs/dbraw/zinc/97/21/05/1004972105.db2.gz ZKBQZKNQHFGMKK-UTKZUKDTSA-N 2 0 401.348 3.793 20 0 HHADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000510999728 1004973734 /nfs/dbraw/zinc/97/37/34/1004973734.db2.gz NQGVUDIIEFOPFZ-AYVPJYCDSA-N 2 0 404.558 3.793 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1)C1CCOCC1 ZINC000502276962 1004989867 /nfs/dbraw/zinc/98/98/67/1004989867.db2.gz RPESCAUMAXXEFA-HSZRJFAPSA-N 2 0 402.579 3.615 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252661 1005092741 /nfs/dbraw/zinc/09/27/41/1005092741.db2.gz YKKNWQLILJADMG-RTBURBONSA-N 2 0 404.574 3.552 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511253639 1005093512 /nfs/dbraw/zinc/09/35/12/1005093512.db2.gz WPGGXNAQJDFYEK-UXHICEINSA-N 2 0 413.610 3.603 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266316 1005098260 /nfs/dbraw/zinc/09/82/60/1005098260.db2.gz DEQCDJNKJXRVJH-PKOBYXMFSA-N 2 0 422.564 3.691 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267517 1005098439 /nfs/dbraw/zinc/09/84/39/1005098439.db2.gz IWNNZVORNUTGHO-AZUAARDMSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CC[N@H+](C)CC1 ZINC000511291875 1005110828 /nfs/dbraw/zinc/11/08/28/1005110828.db2.gz WJNPJAUHEFZHFI-QGZVFWFLSA-N 2 0 404.986 3.502 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511295578 1005112682 /nfs/dbraw/zinc/11/26/82/1005112682.db2.gz VJVWGCQWQIPVME-RKONGDRVSA-N 2 0 412.622 3.849 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000513859798 1005162440 /nfs/dbraw/zinc/16/24/40/1005162440.db2.gz PWMQTKVBJPOJPI-HXUWFJFHSA-N 2 0 416.363 3.518 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410685 1005164313 /nfs/dbraw/zinc/16/43/13/1005164313.db2.gz PBJGSIAJAKGQQQ-IRMYBRCSSA-N 2 0 412.622 3.992 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505719 1005204207 /nfs/dbraw/zinc/20/42/07/1005204207.db2.gz FCLFKLVIRXNGPQ-RTWAWAEBSA-N 2 0 405.533 3.621 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000502767738 1005208012 /nfs/dbraw/zinc/20/80/12/1005208012.db2.gz MRKHFKLZZIAZFR-UHFFFAOYSA-N 2 0 412.622 3.993 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)CC2)CC1 ZINC000502770245 1005209965 /nfs/dbraw/zinc/20/99/65/1005209965.db2.gz ZLIHSVKLOICRLV-UHFFFAOYSA-N 2 0 418.601 3.942 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514031993 1005235903 /nfs/dbraw/zinc/23/59/03/1005235903.db2.gz ALTBQYUCYRSERP-PMACEKPBSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000502845004 1005241334 /nfs/dbraw/zinc/24/13/34/1005241334.db2.gz NKXIQGIPWLEPII-UXHICEINSA-N 2 0 408.590 3.862 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000502847631 1005242905 /nfs/dbraw/zinc/24/29/05/1005242905.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 2 0 400.611 3.777 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876859 1005254746 /nfs/dbraw/zinc/25/47/46/1005254746.db2.gz OUXAFMGAYVMMRK-NFBKMPQASA-N 2 0 416.610 3.643 20 0 HHADRP CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502952590 1005290258 /nfs/dbraw/zinc/29/02/58/1005290258.db2.gz UGERSXXSKVOPEN-QHCPKHFHSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502952450 1005290381 /nfs/dbraw/zinc/29/03/81/1005290381.db2.gz SRQPBJIXPCCVHF-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000514181907 1005301126 /nfs/dbraw/zinc/30/11/26/1005301126.db2.gz GPSAMFLTAXXQFT-HXUWFJFHSA-N 2 0 406.640 3.942 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000514242041 1005329145 /nfs/dbraw/zinc/32/91/45/1005329145.db2.gz PMTDURPTRSNESW-LJQANCHMSA-N 2 0 406.640 3.914 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069569 1005336219 /nfs/dbraw/zinc/33/62/19/1005336219.db2.gz SCCOIYMGZKODHZ-QHAWAJNXSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000503337268 1005393184 /nfs/dbraw/zinc/39/31/84/1005393184.db2.gz CPNBJGKPZYSICT-LEWJYISDSA-N 2 0 404.599 3.816 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)cc1 ZINC000503349638 1005395546 /nfs/dbraw/zinc/39/55/46/1005395546.db2.gz WJZFASCUDPGJFX-JTHBVZDNSA-N 2 0 400.611 3.895 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)CC1 ZINC000503386195 1005404936 /nfs/dbraw/zinc/40/49/36/1005404936.db2.gz LPFULXDPWAZEER-ZLNRFVROSA-N 2 0 406.659 3.898 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503392760 1005406372 /nfs/dbraw/zinc/40/63/72/1005406372.db2.gz QDSIGBJIVQMLKK-JOCHJYFZSA-N 2 0 412.622 3.732 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000503413547 1005412880 /nfs/dbraw/zinc/41/28/80/1005412880.db2.gz GNQJNJYWZCBFAA-DENIHFKCSA-N 2 0 404.574 3.726 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)CC1 ZINC000503446139 1005422668 /nfs/dbraw/zinc/42/26/68/1005422668.db2.gz JGFAVMFVOSRJFZ-QFIPXVFZSA-N 2 0 412.622 3.936 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000503960584 1005520087 /nfs/dbraw/zinc/52/00/87/1005520087.db2.gz CBTJLXFMSMPAOS-QFIPXVFZSA-N 2 0 414.981 3.907 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000504435132 1005628221 /nfs/dbraw/zinc/62/82/21/1005628221.db2.gz HKUJTAUFHPWOHB-OAQYLSRUSA-N 2 0 423.605 3.729 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534057507 1006029070 /nfs/dbraw/zinc/02/90/70/1006029070.db2.gz JJSKQVCHNUTFSZ-SFHVURJKSA-N 2 0 400.792 3.705 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000514564304 1006037575 /nfs/dbraw/zinc/03/75/75/1006037575.db2.gz DTIJJVAMKZKFOH-HSZRJFAPSA-N 2 0 412.553 3.914 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000531303137 1006104078 /nfs/dbraw/zinc/10/40/78/1006104078.db2.gz KQLMCWKIRNTPNO-WIYYLYMNSA-N 2 0 404.986 3.604 20 0 HHADRP O=C(C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000534151239 1006129693 /nfs/dbraw/zinc/12/96/93/1006129693.db2.gz NFIAPWKOIHWVBX-VWLOTQADSA-N 2 0 403.570 3.572 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000531376025 1006159971 /nfs/dbraw/zinc/15/99/71/1006159971.db2.gz PFQSORWQZTWQML-WFXMLNOXSA-N 2 0 407.002 3.991 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205376 1006197599 /nfs/dbraw/zinc/19/75/99/1006197599.db2.gz ZUDMVVLGTMHECQ-OXFYSEKESA-N 2 0 410.965 3.501 20 0 HHADRP CC[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000531446251 1006202098 /nfs/dbraw/zinc/20/20/98/1006202098.db2.gz DMWDRDOMEBCVLS-HSZRJFAPSA-N 2 0 406.574 3.560 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000531453774 1006206856 /nfs/dbraw/zinc/20/68/56/1006206856.db2.gz GNYHHGNMQSTJFU-REWPJTCUSA-N 2 0 406.574 3.776 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534238602 1006244627 /nfs/dbraw/zinc/24/46/27/1006244627.db2.gz LAJUDGRPZPAOFG-IBGZPJMESA-N 2 0 412.553 3.693 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000515088211 1006280811 /nfs/dbraw/zinc/28/08/11/1006280811.db2.gz XYQUAIXMPZNHOM-LJQANCHMSA-N 2 0 414.619 3.780 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1)C1CC[NH+](C)CC1 ZINC000531598005 1006296073 /nfs/dbraw/zinc/29/60/73/1006296073.db2.gz VRQZJRCTFBAMIJ-UHFFFAOYSA-N 2 0 420.601 3.629 20 0 HHADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000531683487 1006352433 /nfs/dbraw/zinc/35/24/33/1006352433.db2.gz LOPVJYSPPYPDFX-JOCHJYFZSA-N 2 0 422.617 3.745 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000515292740 1006381440 /nfs/dbraw/zinc/38/14/40/1006381440.db2.gz WIDUNDXQYHBEEE-QHCPKHFHSA-N 2 0 416.610 3.834 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408910 1006384390 /nfs/dbraw/zinc/38/43/90/1006384390.db2.gz FBBHZMWNRFFNTQ-UNMCSNQZSA-N 2 0 423.523 3.631 20 0 HHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735351 1006388654 /nfs/dbraw/zinc/38/86/54/1006388654.db2.gz FOSGAXYUYUSJON-KCESLBEFSA-N 2 0 400.588 3.897 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531776456 1006417126 /nfs/dbraw/zinc/41/71/26/1006417126.db2.gz LZKDDHXFOWOMIN-OAQYLSRUSA-N 2 0 418.969 3.843 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000531785804 1006426655 /nfs/dbraw/zinc/42/66/55/1006426655.db2.gz MKVFJLSYEOTRFG-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP CN(c1ccccc1C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000531848200 1006468445 /nfs/dbraw/zinc/46/84/45/1006468445.db2.gz QTRFIZZGOHHYOD-IBGZPJMESA-N 2 0 414.544 3.864 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531848157 1006468960 /nfs/dbraw/zinc/46/89/60/1006468960.db2.gz JQFGFTHNOCTXDZ-XMMPIXPASA-N 3 0 420.645 3.871 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000515518339 1006509805 /nfs/dbraw/zinc/50/98/05/1006509805.db2.gz AKXIUYMTGDIJCY-QZTJIDSGSA-N 2 0 409.530 3.764 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000531965653 1006550395 /nfs/dbraw/zinc/55/03/95/1006550395.db2.gz KLWJQIBRQJUSAI-HSZRJFAPSA-N 2 0 400.588 3.764 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1cccc(Cl)c1 ZINC000531989420 1006564032 /nfs/dbraw/zinc/56/40/32/1006564032.db2.gz NTVNUVNIWBTVHA-QGZVFWFLSA-N 2 0 424.980 3.832 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2-c2cnn(C)c2)CC1 ZINC000534647532 1006626935 /nfs/dbraw/zinc/62/69/35/1006626935.db2.gz KFRGPBHTPVUSOT-UHFFFAOYSA-N 2 0 403.574 3.909 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000532107751 1006641783 /nfs/dbraw/zinc/64/17/83/1006641783.db2.gz UFGCWGUCWNLFNK-UHFFFAOYSA-N 2 0 415.965 3.931 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000534683484 1006663712 /nfs/dbraw/zinc/66/37/12/1006663712.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000538404680 1006672771 /nfs/dbraw/zinc/67/27/71/1006672771.db2.gz NEOTYJFDIAAFGJ-OYRHEFFESA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183868 1006703399 /nfs/dbraw/zinc/70/33/99/1006703399.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 2 0 412.622 3.797 20 0 HHADRP CC(C)[NH+]1CCC([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000532195390 1006712761 /nfs/dbraw/zinc/71/27/61/1006712761.db2.gz PXAWNZYLNGGYOE-UHFFFAOYSA-N 2 0 412.544 3.680 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000515850085 1006716400 /nfs/dbraw/zinc/71/64/00/1006716400.db2.gz XNOVQZIEGLHHAG-QHCPKHFHSA-N 2 0 412.553 3.736 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000532206983 1006721156 /nfs/dbraw/zinc/72/11/56/1006721156.db2.gz RYNAALXSFDTZOW-XXBNENTESA-N 2 0 421.651 3.647 20 0 HHADRP CC(=O)Nc1ccccc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000538454618 1006723650 /nfs/dbraw/zinc/72/36/50/1006723650.db2.gz GXOKDOJQKGVBCA-WOJBJXKFSA-N 2 0 409.574 3.944 20 0 HHADRP FC(F)(F)c1ccc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCOCC2)cc1 ZINC000532219141 1006729536 /nfs/dbraw/zinc/72/95/36/1006729536.db2.gz TWBLRIMGOBQUIR-OAQYLSRUSA-N 2 0 411.512 3.543 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000532233444 1006739239 /nfs/dbraw/zinc/73/92/39/1006739239.db2.gz DVLBLKLUROSTCF-HNNXBMFYSA-N 2 0 410.400 3.726 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000538499165 1006767779 /nfs/dbraw/zinc/76/77/79/1006767779.db2.gz XXAYUTXMSXKFIY-JOCHJYFZSA-N 2 0 408.590 3.596 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534792972 1006796607 /nfs/dbraw/zinc/79/66/07/1006796607.db2.gz MHWNNLCSOJTBBB-GOSISDBHSA-N 2 0 400.792 3.707 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590759 1006858265 /nfs/dbraw/zinc/85/82/65/1006858265.db2.gz RVYHPXMLOFMHDP-RDPSFJRHSA-N 2 0 407.606 3.935 20 0 HHADRP c1ccc(N2CC[NH+](Cc3ccccc3CNC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000532447360 1006889998 /nfs/dbraw/zinc/88/99/98/1006889998.db2.gz GSEVERFGPJJUIX-UHFFFAOYSA-N 2 0 418.629 3.973 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(Br)c1 ZINC000532451528 1006893273 /nfs/dbraw/zinc/89/32/73/1006893273.db2.gz CGBRLVLGWBHQPN-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CC(=O)N3CCCCCC3)CC2)c1 ZINC000532455155 1006897189 /nfs/dbraw/zinc/89/71/89/1006897189.db2.gz VNISOTACFLVJKK-HSZRJFAPSA-N 2 0 414.638 3.668 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)cc1 ZINC000516238895 1006968138 /nfs/dbraw/zinc/96/81/38/1006968138.db2.gz FRJNPPLOMGHKGR-RUZDIDTESA-N 2 0 421.585 3.861 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000532579059 1007013720 /nfs/dbraw/zinc/01/37/20/1007013720.db2.gz FWTAIZFKAKRJGQ-ZJSXRUAMSA-N 2 0 405.586 3.720 20 0 HHADRP COc1ccccc1[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000532579398 1007014611 /nfs/dbraw/zinc/01/46/11/1007014611.db2.gz STYIRJDZOLWUSN-QHCPKHFHSA-N 2 0 421.585 3.527 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971354 1007026999 /nfs/dbraw/zinc/02/69/99/1007026999.db2.gz NEQBLDXFNHGDFQ-JXFKEZNVSA-N 2 0 410.965 3.644 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000538762959 1007046983 /nfs/dbraw/zinc/04/69/83/1007046983.db2.gz VJPBBIQCQMMOLH-DEOSSOPVSA-N 2 0 421.633 3.825 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000532629089 1007051467 /nfs/dbraw/zinc/05/14/67/1007051467.db2.gz MKOOPBMAXMCSKM-HXUWFJFHSA-N 2 0 400.954 3.799 20 0 HHADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000532763276 1007168414 /nfs/dbraw/zinc/16/84/14/1007168414.db2.gz XATPQLQFXICJRJ-FPOVZHCZSA-N 2 0 409.574 3.981 20 0 HHADRP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538943476 1007227618 /nfs/dbraw/zinc/22/76/18/1007227618.db2.gz MZVZSPJDPMSEPV-MRXNPFEDSA-N 2 0 402.489 3.925 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000538981776 1007275145 /nfs/dbraw/zinc/27/51/45/1007275145.db2.gz VQWURVPFVASXGS-QFIPXVFZSA-N 2 0 413.610 3.596 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)c(C)n2n1 ZINC000538986444 1007281554 /nfs/dbraw/zinc/28/15/54/1007281554.db2.gz WTRYTYILLBTLKC-QRVBRYPASA-N 2 0 407.562 3.806 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000532927224 1007301030 /nfs/dbraw/zinc/30/10/30/1007301030.db2.gz YYFJIEDCEBFMHL-VWLOTQADSA-N 2 0 405.586 3.824 20 0 HHADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000539037791 1007335726 /nfs/dbraw/zinc/33/57/26/1007335726.db2.gz NFNSJWBPVDWPNI-UHFFFAOYSA-N 2 0 412.965 3.846 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539042750 1007339652 /nfs/dbraw/zinc/33/96/52/1007339652.db2.gz JLOZDTDXJCONSF-ZHALLVOQSA-N 2 0 405.384 3.924 20 0 HHADRP Cc1nccn1C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000539104207 1007391664 /nfs/dbraw/zinc/39/16/64/1007391664.db2.gz BKKVMHULDYSQDY-MRXNPFEDSA-N 2 0 405.384 3.844 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000533048076 1007410033 /nfs/dbraw/zinc/41/00/33/1007410033.db2.gz QUDKACVFSGZSQX-RDPSFJRHSA-N 2 0 406.574 3.778 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161760 1007461777 /nfs/dbraw/zinc/46/17/77/1007461777.db2.gz PRVIYOPJXRASHV-CEXWTWQISA-N 2 0 415.603 3.663 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000539161762 1007461800 /nfs/dbraw/zinc/46/18/00/1007461800.db2.gz PRVIYOPJXRASHV-OTWHNJEPSA-N 2 0 415.603 3.663 20 0 HHADRP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000539244470 1007538765 /nfs/dbraw/zinc/53/87/65/1007538765.db2.gz UGIJXBSIZDQETO-DEOSSOPVSA-N 2 0 409.574 3.779 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000517332436 1007573128 /nfs/dbraw/zinc/57/31/28/1007573128.db2.gz IRFGCYMSXRSMFL-TXTKFYIRSA-N 2 0 412.622 3.981 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000533265369 1007582234 /nfs/dbraw/zinc/58/22/34/1007582234.db2.gz ZTLJSXXBXBKKGV-OYRHEFFESA-N 2 0 408.590 3.659 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)Nc2ccccc2C)CC1 ZINC000539311921 1007611017 /nfs/dbraw/zinc/61/10/17/1007611017.db2.gz PLJYIPVKEDALJY-IBGZPJMESA-N 2 0 412.553 3.955 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000535684949 1007716487 /nfs/dbraw/zinc/71/64/87/1007716487.db2.gz CCHBALOASGNGEH-UHFFFAOYSA-N 2 0 413.953 3.768 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000517497506 1007720531 /nfs/dbraw/zinc/72/05/31/1007720531.db2.gz BHJDFPWOBZQSKR-DQEYMECFSA-N 2 0 414.553 3.667 20 0 HHADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)oc21 ZINC000539496377 1007807015 /nfs/dbraw/zinc/80/70/15/1007807015.db2.gz HUTCUOPAZANEGF-UTKZUKDTSA-N 2 0 421.541 3.990 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517653463 1007865824 /nfs/dbraw/zinc/86/58/24/1007865824.db2.gz UYLAGFOJBAEKGY-LADGPHEKSA-N 2 0 420.601 3.541 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651687 1007969716 /nfs/dbraw/zinc/96/97/16/1007969716.db2.gz RKSCIKTVOJFUOR-CPJSRVTESA-N 2 0 408.590 3.608 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)C2)CC1 ZINC000535970739 1008009256 /nfs/dbraw/zinc/00/92/56/1008009256.db2.gz ZSRWQZMBVLJCEZ-DENIHFKCSA-N 2 0 419.013 3.850 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016670 1008105855 /nfs/dbraw/zinc/10/58/55/1008105855.db2.gz OEKRJUQMMSRXAF-NZQKXSOJSA-N 2 0 414.594 3.538 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536095648 1008118433 /nfs/dbraw/zinc/11/84/33/1008118433.db2.gz MWWPXYXJIVUHCX-DNQXCXABSA-N 2 0 406.574 3.704 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000533813592 1008129934 /nfs/dbraw/zinc/12/99/34/1008129934.db2.gz RRZGHWTZPGMYSV-HYBUGGRVSA-N 2 0 408.590 3.684 20 0 HHADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000539968517 1008212701 /nfs/dbraw/zinc/21/27/01/1008212701.db2.gz FGNOGPNTEPNYKD-HOTGVXAUSA-N 2 0 420.598 3.943 20 0 HHADRP C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539985548 1008221354 /nfs/dbraw/zinc/22/13/54/1008221354.db2.gz NOPAOLSZQYKECE-FQEVSTJZSA-N 2 0 406.574 3.593 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958645 1008233749 /nfs/dbraw/zinc/23/37/49/1008233749.db2.gz ZJNQDZAVJJXING-GPXNEJASSA-N 2 0 422.573 3.577 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000540012503 1008236116 /nfs/dbraw/zinc/23/61/16/1008236116.db2.gz IYGAAQMHXBMNCM-UHFFFAOYSA-N 2 0 412.622 3.588 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540182326 1008326097 /nfs/dbraw/zinc/32/60/97/1008326097.db2.gz AGWMGOHEGJOONL-KKSFZXQISA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258256 1008357588 /nfs/dbraw/zinc/35/75/88/1008357588.db2.gz FNCJVDINIFSVBA-CEXWTWQISA-N 2 0 415.603 3.663 20 0 HHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518615970 1008366610 /nfs/dbraw/zinc/36/66/10/1008366610.db2.gz DVLXDICRJYXSIW-QZTJIDSGSA-N 2 0 407.002 3.867 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000518626048 1008370235 /nfs/dbraw/zinc/37/02/35/1008370235.db2.gz CNDUXVYXYYVLLC-GHTZIAJQSA-N 2 0 407.002 3.993 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)CC1 ZINC000518643861 1008376554 /nfs/dbraw/zinc/37/65/54/1008376554.db2.gz AITIKQPQTQVBEQ-VWLOTQADSA-N 2 0 420.601 3.842 20 0 HHADRP CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000540325887 1008380863 /nfs/dbraw/zinc/38/08/63/1008380863.db2.gz IRTBKKJHPFQETJ-IBGZPJMESA-N 2 0 411.546 3.595 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405551 1008419080 /nfs/dbraw/zinc/41/90/80/1008419080.db2.gz ABDHTGFLSYICBD-QHCPKHFHSA-N 2 0 403.517 3.580 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)c2ccccc2)CC1 ZINC000518809686 1008427693 /nfs/dbraw/zinc/42/76/93/1008427693.db2.gz FFVMEHCPCQHFER-QHCPKHFHSA-N 2 0 409.574 3.830 20 0 HHADRP C[NH+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518861383 1008449937 /nfs/dbraw/zinc/44/99/37/1008449937.db2.gz JONYNCFJZMPGPT-UHFFFAOYSA-N 2 0 414.638 3.705 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3cccnc3)c3ccc(Cl)cc3)cn2)CC1 ZINC000545459785 1008570260 /nfs/dbraw/zinc/57/02/60/1008570260.db2.gz ARVCHWHUUDLLAG-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000543067482 1008644905 /nfs/dbraw/zinc/64/49/05/1008644905.db2.gz SPPZMACPIHCUQF-KRWDZBQOSA-N 2 0 408.546 3.604 20 0 HHADRP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000543162216 1008735374 /nfs/dbraw/zinc/73/53/74/1008735374.db2.gz YJKXZZHFAQUIBX-OAQYLSRUSA-N 2 0 419.491 3.878 20 0 HHADRP CCOC(=O)c1ccccc1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164007 1008735634 /nfs/dbraw/zinc/73/56/34/1008735634.db2.gz CEHJFLYZCHAWSF-QFIPXVFZSA-N 2 0 423.557 3.692 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000549204273 1008776120 /nfs/dbraw/zinc/77/61/20/1008776120.db2.gz GSJJVAWKWIXWHH-BVSLBCMMSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549208207 1008779898 /nfs/dbraw/zinc/77/98/98/1008779898.db2.gz VDUAKUNFWIINSY-KNQAVFIVSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)CC1 ZINC000545694879 1008788175 /nfs/dbraw/zinc/78/81/75/1008788175.db2.gz RAXWOGCFMUSKRH-UHFFFAOYSA-N 2 0 407.518 3.764 20 0 HHADRP CC(C)[N@H+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000549243322 1008813004 /nfs/dbraw/zinc/81/30/04/1008813004.db2.gz PXYGGFYIMOVBBA-VCYXJBJXSA-N 2 0 407.002 3.893 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519501136 1008871875 /nfs/dbraw/zinc/87/18/75/1008871875.db2.gz LCYAQGBPYVCXQY-JOCHJYFZSA-N 2 0 414.981 3.688 20 0 HHADRP C[C@H](CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543381581 1008969968 /nfs/dbraw/zinc/96/99/68/1008969968.db2.gz ZKQRFUZWZLFCFU-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP COc1cc(N[C@@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)cc(OC)c1 ZINC000543396374 1008987677 /nfs/dbraw/zinc/98/76/77/1008987677.db2.gz RHTKZJMUAODSKY-LJQANCHMSA-N 2 0 407.518 3.669 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)cc1OC ZINC000543410259 1009003942 /nfs/dbraw/zinc/00/39/42/1009003942.db2.gz CITUMBCYNQRQLO-HXUWFJFHSA-N 2 0 411.546 3.979 20 0 HHADRP Cc1cc(NC(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000549423308 1009011419 /nfs/dbraw/zinc/01/14/19/1009011419.db2.gz OYQQILHTCGIWEC-DTFZGZDNSA-N 2 0 416.953 4.169 20 0 HHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000545952770 1009015190 /nfs/dbraw/zinc/01/51/90/1009015190.db2.gz BSOCVFSKBYADEH-NYPGBQQYSA-N 2 0 408.590 3.899 20 0 HHADRP CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000519853560 1009034347 /nfs/dbraw/zinc/03/43/47/1009034347.db2.gz WIWGTEWRLDBEFK-UHFFFAOYSA-N 2 0 410.562 3.936 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458605 1009042223 /nfs/dbraw/zinc/04/22/23/1009042223.db2.gz GYADJAKHYMLBEG-XYJFISCASA-N 2 0 400.485 3.688 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)CC1 ZINC000519982943 1009128790 /nfs/dbraw/zinc/12/87/90/1009128790.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 2 0 414.638 3.977 20 0 HHADRP CC[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000546143391 1009173288 /nfs/dbraw/zinc/17/32/88/1009173288.db2.gz OLMAWVQZNQNUCQ-QHCPKHFHSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585079 1009211463 /nfs/dbraw/zinc/21/14/63/1009211463.db2.gz UWRUYVUQIYZINO-OXCBMLQPSA-N 2 0 420.601 3.636 20 0 HHADRP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546183021 1009212760 /nfs/dbraw/zinc/21/27/60/1009212760.db2.gz SDJACIPILOZDCT-QHCPKHFHSA-N 2 0 406.574 3.729 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589722 1009217500 /nfs/dbraw/zinc/21/75/00/1009217500.db2.gz VNFCBHFJUBITAY-VXKWHMMOSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000546199054 1009225883 /nfs/dbraw/zinc/22/58/83/1009225883.db2.gz FPNPCZDNBVSQIZ-MOPGFXCFSA-N 2 0 422.411 3.825 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000546199055 1009226386 /nfs/dbraw/zinc/22/63/86/1009226386.db2.gz FPNPCZDNBVSQIZ-OALUTQOASA-N 2 0 422.411 3.825 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000520130784 1009284052 /nfs/dbraw/zinc/28/40/52/1009284052.db2.gz ITMHLQRMQTTXTB-UHFFFAOYSA-N 2 0 420.504 3.501 20 0 HHADRP C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)cn2)CC1 ZINC000546357541 1009367052 /nfs/dbraw/zinc/36/70/52/1009367052.db2.gz XWEVWKXOSHARBP-UHFFFAOYSA-N 2 0 418.545 3.536 20 0 HHADRP C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543907599 1009492808 /nfs/dbraw/zinc/49/28/08/1009492808.db2.gz RODPMAOVYUUYMZ-RJPGKOSASA-N 2 0 420.644 3.941 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1)C(C)C ZINC000520371369 1009508693 /nfs/dbraw/zinc/50/86/93/1009508693.db2.gz QPWBNZNNJAVMAP-UHFFFAOYSA-N 2 0 401.595 3.682 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000550112730 1009708782 /nfs/dbraw/zinc/70/87/82/1009708782.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 2 0 400.611 3.588 20 0 HHADRP Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000520660603 1009731885 /nfs/dbraw/zinc/73/18/85/1009731885.db2.gz ZSBRALAUGROYKR-UHFFFAOYSA-N 2 0 422.411 3.572 20 0 HHADRP CC(C)[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000520724604 1009792811 /nfs/dbraw/zinc/79/28/11/1009792811.db2.gz SSRKZTVFWWUHLP-UHFFFAOYSA-N 2 0 407.002 3.678 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000520877291 1009930996 /nfs/dbraw/zinc/93/09/96/1009930996.db2.gz SZNSCJPXYJHFHY-HSZRJFAPSA-N 2 0 412.553 3.701 20 0 HHADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521168318 1010201421 /nfs/dbraw/zinc/20/14/21/1010201421.db2.gz PFEWIPQRJRAOIJ-FQEVSTJZSA-N 2 0 407.002 3.726 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)CC1 ZINC000544595410 1010221670 /nfs/dbraw/zinc/22/16/70/1010221670.db2.gz WIDMXEQQLRLXHO-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP O=S1(=O)CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000550882145 1010239177 /nfs/dbraw/zinc/23/91/77/1010239177.db2.gz IMSJEJHMGLMOTQ-KRWDZBQOSA-N 2 0 415.397 3.523 20 0 HHADRP Cc1noc(C2CCC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882552 1010239488 /nfs/dbraw/zinc/23/94/88/1010239488.db2.gz NPTMZOXGRSUYOQ-OOMBGRCJSA-N 2 0 424.589 3.923 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000550908262 1010250661 /nfs/dbraw/zinc/25/06/61/1010250661.db2.gz KXMUCYKEHOLHAF-UHFFFAOYSA-N 2 0 405.546 3.917 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000547430919 1010302611 /nfs/dbraw/zinc/30/26/11/1010302611.db2.gz AGWMANGFKVRSLD-WOJBJXKFSA-N 2 0 401.595 3.567 20 0 HHADRP COc1cc([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)cn1 ZINC000551258311 1010474775 /nfs/dbraw/zinc/47/47/75/1010474775.db2.gz FQDIKXGCCJSQJM-QUCCMNQESA-N 2 0 413.537 3.809 20 0 HHADRP O=C1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264824 1010481143 /nfs/dbraw/zinc/48/11/43/1010481143.db2.gz OGUGNBLALAWFON-GGAORHGYSA-N 2 0 419.569 3.978 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCC1 ZINC000548079112 1010522361 /nfs/dbraw/zinc/52/23/61/1010522361.db2.gz MZTLRDPNBMKZSA-HSZRJFAPSA-N 2 0 407.558 3.858 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155509 1010547261 /nfs/dbraw/zinc/54/72/61/1010547261.db2.gz XHBFWGWEKMYYMM-JTAQYXEDSA-N 2 0 421.585 3.905 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521816098 1010638587 /nfs/dbraw/zinc/63/85/87/1010638587.db2.gz JNQALMMFMQBJPN-LJQANCHMSA-N 2 0 407.562 3.556 20 0 HHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483055 1010641584 /nfs/dbraw/zinc/64/15/84/1010641584.db2.gz QWSHSUZUJOENSG-RBBKRZOGSA-N 2 0 407.606 3.935 20 0 HHADRP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483854 1010642794 /nfs/dbraw/zinc/64/27/94/1010642794.db2.gz JCMXDJYKHRRANC-MJGOQNOKSA-N 2 0 406.496 4.403 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000522048170 1010777635 /nfs/dbraw/zinc/77/76/35/1010777635.db2.gz FNFLEWZGOZIFGT-OAQYLSRUSA-N 2 0 408.590 3.513 20 0 HHADRP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522404956 1010986162 /nfs/dbraw/zinc/98/61/62/1010986162.db2.gz DHGFHXVZGWDYOY-NRFANRHFSA-N 2 0 423.605 3.649 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000522406695 1010987629 /nfs/dbraw/zinc/98/76/29/1010987629.db2.gz SJDGXIBJOWMADV-RPWUZVMVSA-N 2 0 421.589 3.619 20 0 HHADRP C[NH+](C)CC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000522610385 1011110793 /nfs/dbraw/zinc/11/07/93/1011110793.db2.gz COWLIFKZNAWUEQ-FQEVSTJZSA-N 2 0 409.018 3.970 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536130118 1011252595 /nfs/dbraw/zinc/25/25/95/1011252595.db2.gz JBIOHVUVLPXDLV-OYRHEFFESA-N 2 0 415.626 3.698 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000536130347 1011253911 /nfs/dbraw/zinc/25/39/11/1011253911.db2.gz JTYINHXHHCCFRK-UHFFFAOYSA-N 2 0 409.965 3.626 20 0 HHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606340 1011259319 /nfs/dbraw/zinc/25/93/19/1011259319.db2.gz NTGJWBXNAYZBRE-SFHVURJKSA-N 2 0 405.608 3.600 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285482 /nfs/dbraw/zinc/28/54/82/1011285482.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 2 0 418.585 3.927 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303379 1011494554 /nfs/dbraw/zinc/49/45/54/1011494554.db2.gz MVPNAPYLEOFCLM-SFHVURJKSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000536307183 1011500109 /nfs/dbraw/zinc/50/01/09/1011500109.db2.gz DIMPULSXNVDVCW-MRXNPFEDSA-N 2 0 407.480 3.800 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308129 1011501564 /nfs/dbraw/zinc/50/15/64/1011501564.db2.gz ZRQBOJWSWARVHL-RBZQAINGSA-N 2 0 414.590 3.614 20 0 HHADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1ccccc1Br ZINC000540982918 1011617965 /nfs/dbraw/zinc/61/79/65/1011617965.db2.gz SPCQKLSPPKCTNU-GOSISDBHSA-N 2 0 411.384 3.576 20 0 HHADRP CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000541025630 1011660516 /nfs/dbraw/zinc/66/05/16/1011660516.db2.gz ZPODXIMJCVYUSL-GOSISDBHSA-N 2 0 406.530 3.684 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192405 1011678509 /nfs/dbraw/zinc/67/85/09/1011678509.db2.gz RMCIOSYEKWKHBS-UYAOXDASSA-N 2 0 418.607 3.935 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000536483116 1011695428 /nfs/dbraw/zinc/69/54/28/1011695428.db2.gz UABWXOBFLRDWHO-GOSISDBHSA-N 2 0 412.553 3.912 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ncc(Br)s3)CC2)c1 ZINC000541065359 1011703208 /nfs/dbraw/zinc/70/32/08/1011703208.db2.gz PPAHBOUEDVHUAM-UHFFFAOYSA-N 2 0 423.424 3.906 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000536571413 1011735313 /nfs/dbraw/zinc/73/53/13/1011735313.db2.gz YRJAZHPRWFNTSJ-HSZRJFAPSA-N 2 0 423.605 3.502 20 0 HHADRP CCOc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000536664143 1011815025 /nfs/dbraw/zinc/81/50/25/1011815025.db2.gz GDSGWSGCPWNRTP-UHFFFAOYSA-N 2 0 403.611 3.722 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523338720 1011815967 /nfs/dbraw/zinc/81/59/67/1011815967.db2.gz SCCXIEVVZHXLIR-DEOSSOPVSA-N 2 0 406.574 3.596 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000536666652 1011820013 /nfs/dbraw/zinc/82/00/13/1011820013.db2.gz PJDQXVXVNLTVEU-UHFFFAOYSA-N 2 0 410.606 3.933 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)cc1)C1CC1 ZINC000541169851 1011842566 /nfs/dbraw/zinc/84/25/66/1011842566.db2.gz AXVQJPGAZNULQC-RUZDIDTESA-N 2 0 421.585 3.558 20 0 HHADRP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000541194134 1011865211 /nfs/dbraw/zinc/86/52/11/1011865211.db2.gz NVXXEGMQXDOMKL-YADARESESA-N 2 0 424.589 3.647 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697150 1011865374 /nfs/dbraw/zinc/86/53/74/1011865374.db2.gz LNAYNHNVSUHQJA-LJQANCHMSA-N 2 0 409.368 3.658 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000536702055 1011871318 /nfs/dbraw/zinc/87/13/18/1011871318.db2.gz AVXOBFQKCWABLT-VWLOTQADSA-N 2 0 406.574 3.887 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523433284 1011922491 /nfs/dbraw/zinc/92/24/91/1011922491.db2.gz LLBGSWHOOWGLDE-UUOMVCFKSA-N 2 0 410.606 3.842 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816537 1011973998 /nfs/dbraw/zinc/97/39/98/1011973998.db2.gz AIHGUBAWHWXGLF-CJFMBICVSA-N 2 0 408.590 3.555 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536830944 1012060864 /nfs/dbraw/zinc/06/08/64/1012060864.db2.gz FRPKHQBBBBNCLC-UXHICEINSA-N 2 0 409.640 3.736 20 0 HHADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1OC ZINC000552046064 1012065746 /nfs/dbraw/zinc/06/57/46/1012065746.db2.gz WTVBUYPWTKAPHG-SFHVURJKSA-N 2 0 412.574 3.690 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066667 /nfs/dbraw/zinc/06/66/67/1012066667.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 2 0 411.634 3.912 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000541375521 1012092153 /nfs/dbraw/zinc/09/21/53/1012092153.db2.gz VPJFEGQRWKIGSN-AWEZNQCLSA-N 2 0 401.308 3.895 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536874707 1012115394 /nfs/dbraw/zinc/11/53/94/1012115394.db2.gz DQHMKEYNLFLSFB-FQEVSTJZSA-N 2 0 405.542 3.688 20 0 HHADRP O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523635850 1012223348 /nfs/dbraw/zinc/22/33/48/1012223348.db2.gz WXBPOOXIONBKOV-UHFFFAOYSA-N 2 0 405.586 3.853 20 0 HHADRP C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523656349 1012249781 /nfs/dbraw/zinc/24/97/81/1012249781.db2.gz LTQZANGWCHNCQO-SFHVURJKSA-N 2 0 415.969 3.650 20 0 HHADRP COc1cccc(N2C[C@@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)CC2=O)c1 ZINC000552247320 1012258239 /nfs/dbraw/zinc/25/82/39/1012258239.db2.gz KLYBCPGYRNSYMW-ORFBVSJDSA-N 2 0 407.558 3.833 20 0 HHADRP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1-n1cncn1 ZINC000552273639 1012286770 /nfs/dbraw/zinc/28/67/70/1012286770.db2.gz PIJALBBUGRNSSX-UHFFFAOYSA-N 2 0 405.521 3.895 20 0 HHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275960 1012288806 /nfs/dbraw/zinc/28/88/06/1012288806.db2.gz GJFQBCSQDFWQKK-OJGLOBPSSA-N 2 0 411.634 3.645 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc(-c4ccncc4)s3)CC2)CC1 ZINC000552305276 1012317492 /nfs/dbraw/zinc/31/74/92/1012317492.db2.gz DBIFWIDZZHKYHM-UHFFFAOYSA-N 2 0 413.635 3.833 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000537018241 1012323152 /nfs/dbraw/zinc/32/31/52/1012323152.db2.gz POIDSTNQEVAPJZ-UWVAXJGDSA-N 2 0 417.500 3.718 20 0 HHADRP Fc1ccc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545296 1012331253 /nfs/dbraw/zinc/33/12/53/1012331253.db2.gz GJHYMVUNLVWDDM-XMMPIXPASA-N 2 0 405.521 3.507 20 0 HHADRP Fc1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)cc1 ZINC000541550785 1012337172 /nfs/dbraw/zinc/33/71/72/1012337172.db2.gz LKMDGBAEYKJGFX-VWLOTQADSA-N 2 0 404.533 3.718 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000523773258 1012412961 /nfs/dbraw/zinc/41/29/61/1012412961.db2.gz NPYGWZKCDMOPLP-VXKWHMMOSA-N 2 0 422.658 3.611 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000537108957 1012480116 /nfs/dbraw/zinc/48/01/16/1012480116.db2.gz RLSJROFRMJCSQP-MOPGFXCFSA-N 2 0 412.553 3.954 20 0 HHADRP COc1ccccc1[C@@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000537168059 1012570463 /nfs/dbraw/zinc/57/04/63/1012570463.db2.gz UAILAMPFDIABEF-FCHUYYIVSA-N 2 0 409.574 3.876 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000523939330 1012673420 /nfs/dbraw/zinc/67/34/20/1012673420.db2.gz JASJTFQCUNSPOP-VQTJNVASSA-N 2 0 414.550 3.844 20 0 HHADRP Cc1cc(C)n2c(C[NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)cnc2n1 ZINC000537312828 1012770874 /nfs/dbraw/zinc/77/08/74/1012770874.db2.gz WLGGHNZCJZJBRS-UHFFFAOYSA-N 2 0 407.562 3.507 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918442 1012776213 /nfs/dbraw/zinc/77/62/13/1012776213.db2.gz BBIMBRDFAZRKFO-UZUQRXQVSA-N 2 0 408.521 3.737 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000552780846 1012784924 /nfs/dbraw/zinc/78/49/24/1012784924.db2.gz SOGJYKBKKJIOED-UHFFFAOYSA-N 2 0 407.558 3.685 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000524069745 1012832046 /nfs/dbraw/zinc/83/20/46/1012832046.db2.gz GDEXAAQNIUZSME-UHFFFAOYSA-N 2 0 423.605 3.862 20 0 HHADRP COc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000552845296 1012852484 /nfs/dbraw/zinc/85/24/84/1012852484.db2.gz WNUQRLMXLVIJOA-DEOSSOPVSA-N 2 0 409.574 3.756 20 0 HHADRP COc1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537398436 1012882215 /nfs/dbraw/zinc/88/22/15/1012882215.db2.gz KNFGGDVHADMZNU-NRFANRHFSA-N 2 0 408.590 3.594 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000542017663 1012908479 /nfs/dbraw/zinc/90/84/79/1012908479.db2.gz NNOCHDKUJRUDHH-SFHVURJKSA-N 2 0 403.567 3.619 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000524141136 1012925555 /nfs/dbraw/zinc/92/55/55/1012925555.db2.gz FIYSTVCOCUTDMQ-UHFFFAOYSA-N 2 0 416.997 3.948 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccnc(N2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000537504021 1013016451 /nfs/dbraw/zinc/01/64/51/1013016451.db2.gz XXMSJOIJJMTLKV-UHFFFAOYSA-N 2 0 407.606 3.892 20 0 HHADRP C[NH+](C)Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000904628016 1071832536 /nfs/dbraw/zinc/83/25/36/1071832536.db2.gz ZKCDEIJPNWXJAI-UHFFFAOYSA-N 2 0 405.546 3.553 20 0 HHADRP CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000760479610 1072387914 /nfs/dbraw/zinc/38/79/14/1072387914.db2.gz ZOVMSBFFRANOSC-JOCHJYFZSA-N 2 0 402.652 3.579 20 0 HHADRP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296872 1072451616 /nfs/dbraw/zinc/45/16/16/1072451616.db2.gz ZANBIRHXCZNUOU-DEOSSOPVSA-N 2 0 420.601 3.782 20 0 HHADRP CC(=O)CCN(CC[NH2+]C1CCC([NH+](C)C)CC1)c1nc2cc(Cl)ccc2o1 ZINC001168304304 1072471942 /nfs/dbraw/zinc/47/19/42/1072471942.db2.gz UVBBBKYKQVVDLY-UHFFFAOYSA-N 2 0 406.958 3.729 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)CC1 ZINC001168323467 1072504735 /nfs/dbraw/zinc/50/47/35/1072504735.db2.gz ZYQJADZMZKTBTF-UHFFFAOYSA-N 2 0 404.562 3.844 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571328349 1072604073 /nfs/dbraw/zinc/60/40/73/1072604073.db2.gz LHSRQWAKACXPOP-WMLDXEAASA-N 2 0 409.596 3.579 20 0 HHADRP Cn1cnc2c1cc(C1CC[NH+](C3CC[NH+](CC4CC4)CC3)CC1)nc2N1CCCC1 ZINC001168378891 1072652704 /nfs/dbraw/zinc/65/27/04/1072652704.db2.gz YEINOSOIEDKQMO-UHFFFAOYSA-N 2 0 422.621 3.622 20 0 HHADRP CCC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000554856352 1072905089 /nfs/dbraw/zinc/90/50/89/1072905089.db2.gz PPQZDPFGUKUQTM-UHFFFAOYSA-N 2 0 414.550 3.697 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)C(C)C ZINC000588304156 1073015063 /nfs/dbraw/zinc/01/50/63/1073015063.db2.gz BEWILEFBYBYMMD-UHFFFAOYSA-N 2 0 414.516 3.653 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c(C)c2)CC1 ZINC000554989689 1073032141 /nfs/dbraw/zinc/03/21/41/1073032141.db2.gz SHPQRYFHGXJORL-UHFFFAOYSA-N 2 0 406.574 3.985 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3OCC[NH+](C)C)c2)CC1 ZINC000588700105 1073149366 /nfs/dbraw/zinc/14/93/66/1073149366.db2.gz DBPDIUKDMLOSMZ-UHFFFAOYSA-N 2 0 409.574 3.789 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)c2)CC1 ZINC000588699432 1073149767 /nfs/dbraw/zinc/14/97/67/1073149767.db2.gz KNJFDDJPAVPQOQ-VWLOTQADSA-N 2 0 420.601 3.842 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000590123217 1073570711 /nfs/dbraw/zinc/57/07/11/1073570711.db2.gz WRRRABVMGHOCBT-IAGOWNOFSA-N 2 0 400.394 3.829 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000590786604 1074004172 /nfs/dbraw/zinc/00/41/72/1074004172.db2.gz HNFLCXOLPHYXQN-OAHLLOKOSA-N 2 0 401.473 3.964 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000590818960 1074020559 /nfs/dbraw/zinc/02/05/59/1074020559.db2.gz MAHJNYFJICNXFU-UHFFFAOYSA-N 2 0 414.363 3.969 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001649006125 1074189179 /nfs/dbraw/zinc/18/91/79/1074189179.db2.gz YAZOCSYFEHLKOF-QFIPXVFZSA-N 2 0 406.618 3.755 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594221514 1075274038 /nfs/dbraw/zinc/27/40/38/1075274038.db2.gz GWIFMJGTNXEYAZ-FQEVSTJZSA-N 2 0 402.583 3.889 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594276569 1075276818 /nfs/dbraw/zinc/27/68/18/1075276818.db2.gz VAISHJWHVTTZQL-GHTZIAJQSA-N 2 0 404.986 3.747 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000594290249 1075278295 /nfs/dbraw/zinc/27/82/95/1075278295.db2.gz BHTQTRGXJSTDNW-GOTSBHOMSA-N 2 0 400.611 3.599 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001168405679 1075363519 /nfs/dbraw/zinc/36/35/19/1075363519.db2.gz ZKXAJHGMELEZSY-SFTDATJTSA-N 2 0 413.606 3.567 20 0 HHADRP CSC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH+](C)CC1 ZINC000574964174 1075434567 /nfs/dbraw/zinc/43/45/67/1075434567.db2.gz ABHQONAOGXZUJV-UHFFFAOYSA-N 2 0 409.397 3.756 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000602277356 1075725891 /nfs/dbraw/zinc/72/58/91/1075725891.db2.gz LEXJMWLNFPOORR-HXUWFJFHSA-N 2 0 421.614 3.859 20 0 HHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164429389 718948173 /nfs/dbraw/zinc/94/81/73/718948173.db2.gz OQZOYKFHDKDUEI-PMACEKPBSA-N 2 0 416.903 3.732 20 0 HHADRP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164840923 720717203 /nfs/dbraw/zinc/71/72/03/720717203.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 2 0 420.601 3.936 20 0 HHADRP c1cc2c[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754825 720875761 /nfs/dbraw/zinc/87/57/61/720875761.db2.gz SXXXKURLUYNYSP-DHLKQENFSA-N 2 0 417.557 3.713 20 0 HHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164795978 721503581 /nfs/dbraw/zinc/50/35/81/721503581.db2.gz PAGDCQDCDBSYFC-UHFFFAOYSA-N 2 0 405.590 3.953 20 0 HHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C[NH+]2CCCC2)CC1 ZINC001165031136 721845112 /nfs/dbraw/zinc/84/51/12/721845112.db2.gz UQNIPJULZPXKLU-UHFFFAOYSA-N 2 0 424.589 3.795 20 0 HHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc(C)[nH+]4)CC3)C2)cc1 ZINC001164937616 721919760 /nfs/dbraw/zinc/91/97/60/721919760.db2.gz FIDCQZFZAFRJPG-UHFFFAOYSA-N 2 0 421.589 3.565 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164961932 722051334 /nfs/dbraw/zinc/05/13/34/722051334.db2.gz ZDRHVYSMROUJSD-NMOFPLQQSA-N 2 0 421.589 3.929 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303494115 971791763 /nfs/dbraw/zinc/79/17/63/971791763.db2.gz SVILFTRQSVYGTE-HMTSVIFASA-N 2 0 412.622 3.848 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303512741 971812657 /nfs/dbraw/zinc/81/26/57/971812657.db2.gz OVLFAFLDSXVKIL-OAQYLSRUSA-N 2 0 420.601 3.505 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1F ZINC000303606966 971895255 /nfs/dbraw/zinc/89/52/55/971895255.db2.gz BFGGIISUHIDUHI-HXUWFJFHSA-N 2 0 402.514 3.507 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000303639975 971919421 /nfs/dbraw/zinc/91/94/21/971919421.db2.gz HRGOFJCNJCIDLM-FQEVSTJZSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303735845 971988971 /nfs/dbraw/zinc/98/89/71/971988971.db2.gz GMJPQYDUSLGUKG-OTPAQWSUSA-N 2 0 405.586 3.945 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000537607320 1013147686 /nfs/dbraw/zinc/14/76/86/1013147686.db2.gz WVUQAZCTURQYLG-JOCHJYFZSA-N 2 0 403.517 3.995 20 0 HHADRP COC(=O)CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000537621885 1013169569 /nfs/dbraw/zinc/16/95/69/1013169569.db2.gz GXFJZWOHJJZJEI-GOSISDBHSA-N 2 0 404.599 3.540 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000303923062 972499320 /nfs/dbraw/zinc/49/93/20/972499320.db2.gz YTWGSLCLWIKJJW-OAQYLSRUSA-N 2 0 406.640 3.766 20 0 HHADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000537650819 1013211738 /nfs/dbraw/zinc/21/17/38/1013211738.db2.gz SSNJPDAOLRKNDR-UHFFFAOYSA-N 2 0 402.505 3.758 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649384 1013210363 /nfs/dbraw/zinc/21/03/63/1013210363.db2.gz JSRQZANKYSIBTO-XMMPIXPASA-N 2 0 419.573 3.867 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678316 1013237421 /nfs/dbraw/zinc/23/74/21/1013237421.db2.gz UAGVFPRXQFLADM-TZIWHRDSSA-N 2 0 406.412 3.927 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843547 1013406892 /nfs/dbraw/zinc/40/68/92/1013406892.db2.gz ADHVXYKWUQUWAQ-WOJBJXKFSA-N 2 0 424.589 3.894 20 0 HHADRP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841369 1013402996 /nfs/dbraw/zinc/40/29/96/1013402996.db2.gz KPQBNVKEQBPCAJ-HXUWFJFHSA-N 2 0 406.574 3.593 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000542464901 1013412259 /nfs/dbraw/zinc/41/22/59/1013412259.db2.gz OGSLXVOJLSWOIF-GOSISDBHSA-N 2 0 422.508 3.749 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000553513605 1013413469 /nfs/dbraw/zinc/41/34/69/1013413469.db2.gz LIXLYYZKAJEYNK-UGKGYDQZSA-N 2 0 407.668 3.707 20 0 HHADRP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542515151 1013458903 /nfs/dbraw/zinc/45/89/03/1013458903.db2.gz QMXYLHYTGZGVKI-OAQYLSRUSA-N 2 0 405.586 3.852 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532829 1013477082 /nfs/dbraw/zinc/47/70/82/1013477082.db2.gz SVROODGZMHGVKV-FRQCXROJSA-N 2 0 400.485 3.688 20 0 HHADRP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000025702321 964337986 /nfs/dbraw/zinc/33/79/86/964337986.db2.gz WFTZNZWJAZUVOB-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537934895 1013521686 /nfs/dbraw/zinc/52/16/86/1013521686.db2.gz KJOZINKPHUWGBR-JOCHJYFZSA-N 2 0 410.562 3.506 20 0 HHADRP CCC1(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000553652689 1013523770 /nfs/dbraw/zinc/52/37/70/1013523770.db2.gz DGBLJIQUNXAYCQ-FYYLOGMGSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537962373 1013540573 /nfs/dbraw/zinc/54/05/73/1013540573.db2.gz WUBAZAMYYCYQCQ-FOIQADDNSA-N 2 0 407.352 3.774 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1sccc1Br ZINC000537968767 1013545710 /nfs/dbraw/zinc/54/57/10/1013545710.db2.gz VWKVEKZAQLXPLM-CYBMUJFWSA-N 2 0 410.381 3.653 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029333112 965349379 /nfs/dbraw/zinc/34/93/79/965349379.db2.gz HWKOHLGHARREAW-XMMPIXPASA-N 2 0 406.574 3.919 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054036342 965365188 /nfs/dbraw/zinc/36/51/88/965365188.db2.gz BETYYSWRLVCCDS-UHFFFAOYSA-N 2 0 408.590 3.992 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000054039940 965367183 /nfs/dbraw/zinc/36/71/83/965367183.db2.gz XGOKUWFLKQJCAD-HXUWFJFHSA-N 2 0 400.592 3.836 20 0 HHADRP Oc1ccc2cc(Br)ccc2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000054518612 965553616 /nfs/dbraw/zinc/55/36/16/965553616.db2.gz FXEWXIYUMQBYHN-UHFFFAOYSA-N 2 0 419.363 3.852 20 0 HHADRP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000553753502 1013590845 /nfs/dbraw/zinc/59/08/45/1013590845.db2.gz AQPTWIPHUSCURY-UHFFFAOYSA-N 2 0 403.636 3.962 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000030664304 965760428 /nfs/dbraw/zinc/76/04/28/965760428.db2.gz GKSANZJVGVIEMK-UHFFFAOYSA-N 2 0 407.562 3.556 20 0 HHADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000060355296 966106464 /nfs/dbraw/zinc/10/64/64/966106464.db2.gz SHMGUNYNISXTHK-VWLOTQADSA-N 2 0 405.586 3.818 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000060524210 966190690 /nfs/dbraw/zinc/19/06/90/966190690.db2.gz FKCLIDOCQSFVEC-QFIPXVFZSA-N 2 0 417.601 3.963 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000061185556 966390642 /nfs/dbraw/zinc/39/06/42/966390642.db2.gz SSSZBHPNYIYHEQ-OAQYLSRUSA-N 2 0 404.599 3.642 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)cc2)C1 ZINC000056846236 966490497 /nfs/dbraw/zinc/49/04/97/966490497.db2.gz TWWRXQKFRSYRNC-FQEVSTJZSA-N 2 0 400.611 3.792 20 0 HHADRP CC(C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000061553181 966499073 /nfs/dbraw/zinc/49/90/73/966499073.db2.gz XCGMOQXOXVSLCB-QHCPKHFHSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061790992 966555738 /nfs/dbraw/zinc/55/57/38/966555738.db2.gz SXMSURRQBDLKLU-HSALFYBXSA-N 2 0 418.651 3.766 20 0 HHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100460 1013669603 /nfs/dbraw/zinc/66/96/03/1013669603.db2.gz FFPANPVEFXVTPA-HXUWFJFHSA-N 2 0 402.410 3.670 20 0 HHADRP C[N@H+](CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000063147643 966761883 /nfs/dbraw/zinc/76/18/83/966761883.db2.gz OEGPMQMEZVXBBY-UHFFFAOYSA-N 2 0 402.652 3.770 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1 ZINC000063331435 966823187 /nfs/dbraw/zinc/82/31/87/966823187.db2.gz GPXQFTGIVVRURL-UHFFFAOYSA-N 2 0 416.610 3.516 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000042811661 966851835 /nfs/dbraw/zinc/85/18/35/966851835.db2.gz FLLZUPANEGWQBC-UHFFFAOYSA-N 2 0 406.574 3.878 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464498 966867467 /nfs/dbraw/zinc/86/74/67/966867467.db2.gz LZIVUCRHKICEEK-HSZRJFAPSA-N 2 0 420.601 3.994 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644502 967257340 /nfs/dbraw/zinc/25/73/40/967257340.db2.gz AQFDKOWJMMYXPU-ICSRJNTNSA-N 2 0 416.591 3.689 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944221 1013714573 /nfs/dbraw/zinc/71/45/73/1013714573.db2.gz BSAFTAIEFDSPOU-REWPJTCUSA-N 2 0 412.578 3.654 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000065441218 967467399 /nfs/dbraw/zinc/46/73/99/967467399.db2.gz YDVNOHIKFAVSDD-HXUWFJFHSA-N 2 0 400.611 3.981 20 0 HHADRP CC1(C)CC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000045545633 967494420 /nfs/dbraw/zinc/49/44/20/967494420.db2.gz KYYAIBDPUJQLDE-UHFFFAOYSA-N 2 0 407.002 3.913 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000065527029 967508540 /nfs/dbraw/zinc/50/85/40/967508540.db2.gz WUPWEXBWEAGBOL-BGYRXZFFSA-N 2 0 400.611 3.838 20 0 HHADRP Cc1ccc(C[NH+]2CCCN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000065549837 967514313 /nfs/dbraw/zinc/51/43/13/967514313.db2.gz RMBLFOUQPCCQBO-NRFANRHFSA-N 2 0 400.611 3.723 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976237 967614340 /nfs/dbraw/zinc/61/43/40/967614340.db2.gz AFWKUVCRZXJJJB-NRFANRHFSA-N 2 0 415.626 3.913 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000538207467 1013761270 /nfs/dbraw/zinc/76/12/70/1013761270.db2.gz FJDAQJQXFSTLQW-RBUKOAKNSA-N 2 0 424.564 3.596 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211292 1013764424 /nfs/dbraw/zinc/76/44/24/1013764424.db2.gz SWABPWOOGCRIGA-MHECFPHRSA-N 2 0 424.564 3.638 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211987 1013765342 /nfs/dbraw/zinc/76/53/42/1013765342.db2.gz PMAPUNSQBWIDOG-OALUTQOASA-N 2 0 422.552 3.960 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000047365525 968159455 /nfs/dbraw/zinc/15/94/55/968159455.db2.gz VPHZRUDENWJZPY-UHFFFAOYSA-N 2 0 420.001 3.574 20 0 HHADRP C[NH+]1CCC(NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000047885847 968352131 /nfs/dbraw/zinc/35/21/31/968352131.db2.gz AGROATYWVYQQBQ-UHFFFAOYSA-N 2 0 406.574 3.843 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)[NH+](C)C)c1 ZINC000047936603 968371242 /nfs/dbraw/zinc/37/12/42/968371242.db2.gz KASWJWLPLUOWOB-HSZRJFAPSA-N 2 0 412.578 3.638 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000047976759 968381695 /nfs/dbraw/zinc/38/16/95/968381695.db2.gz GBCWPWPWGLYEGY-MRXNPFEDSA-N 2 0 410.400 3.680 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000066010310 968768332 /nfs/dbraw/zinc/76/83/32/968768332.db2.gz BABWABKMUVCPSV-UHFFFAOYSA-N 2 0 410.631 3.767 20 0 HHADRP COc1ccc(CN(C)CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187807 969225321 /nfs/dbraw/zinc/22/53/21/969225321.db2.gz BSGYGKYQRAIOQR-JOCHJYFZSA-N 2 0 415.965 3.734 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000111041764 969765381 /nfs/dbraw/zinc/76/53/81/969765381.db2.gz RYZFHBYFKMSZLM-VWLOTQADSA-N 2 0 422.617 3.523 20 0 HHADRP CCCn1c2ccccc2nc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000195687790 969957880 /nfs/dbraw/zinc/95/78/80/969957880.db2.gz BCUZQLLTHUWZFW-UHFFFAOYSA-N 2 0 405.590 3.744 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000228631470 970125954 /nfs/dbraw/zinc/12/59/54/970125954.db2.gz DUBYFEPKEWWISM-PZJWPPBQSA-N 2 0 411.512 3.678 20 0 HHADRP Cc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000236703031 970158342 /nfs/dbraw/zinc/15/83/42/970158342.db2.gz IOPIHWLTJGLPCK-XMMPIXPASA-N 2 0 410.606 3.639 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(CN3CCCC3=O)c2)CC1 ZINC000236815063 970175518 /nfs/dbraw/zinc/17/55/18/970175518.db2.gz YIDPRZBQWUHDTQ-UHFFFAOYSA-N 2 0 420.601 3.631 20 0 HHADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000236922720 970190204 /nfs/dbraw/zinc/19/02/04/970190204.db2.gz OGFAQAKPZVZTAP-UHFFFAOYSA-N 2 0 411.546 3.534 20 0 HHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000236940534 970191943 /nfs/dbraw/zinc/19/19/43/970191943.db2.gz LIDAPLOFZCTBHT-UHFFFAOYSA-N 2 0 424.420 3.995 20 0 HHADRP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000236954575 970193901 /nfs/dbraw/zinc/19/39/01/970193901.db2.gz AOLWDZDTWZOLSV-HXUWFJFHSA-N 2 0 411.546 3.534 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000236975115 970197903 /nfs/dbraw/zinc/19/79/03/970197903.db2.gz JFDCPEYMPYZLKC-HNNXBMFYSA-N 2 0 412.525 3.945 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000236976488 970198121 /nfs/dbraw/zinc/19/81/21/970198121.db2.gz UUSIALMNLRQGTE-MRXNPFEDSA-N 2 0 424.420 3.662 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000237074257 970217989 /nfs/dbraw/zinc/21/79/89/970217989.db2.gz DQQPSYHLPKPRKU-UHFFFAOYSA-N 2 0 417.601 3.716 20 0 HHADRP CCc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000237096617 970221207 /nfs/dbraw/zinc/22/12/07/970221207.db2.gz AJPPLEDTHGHJJJ-HXUWFJFHSA-N 2 0 405.542 3.982 20 0 HHADRP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(-c2ccncc2)n1 ZINC000237179706 970236597 /nfs/dbraw/zinc/23/65/97/970236597.db2.gz HSHNXVRMLJRVBY-UHFFFAOYSA-N 2 0 401.514 3.997 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)CN1CC[NH+](C)CC1 ZINC000237409731 970280171 /nfs/dbraw/zinc/28/01/71/970280171.db2.gz WORBYJIJBFWQMS-INIZCTEOSA-N 2 0 406.368 3.682 20 0 HHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237418431 970281742 /nfs/dbraw/zinc/28/17/42/970281742.db2.gz LBTPGHNZKCXSMW-QFIPXVFZSA-N 2 0 417.601 3.632 20 0 HHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000237502515 970302737 /nfs/dbraw/zinc/30/27/37/970302737.db2.gz GNPTXHPPKCRHFO-QFIPXVFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)N1CC[NH+](C)CC1 ZINC000237578551 970316042 /nfs/dbraw/zinc/31/60/42/970316042.db2.gz BUZNVLMLVNDHHC-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP C[C@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)CN1CC[NH+](C)CC1 ZINC000237584968 970316788 /nfs/dbraw/zinc/31/67/88/970316788.db2.gz NPEDFEAECYPJJB-GOSISDBHSA-N 2 0 414.981 3.565 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000237665579 970334343 /nfs/dbraw/zinc/33/43/43/970334343.db2.gz LCVLNOQOPYZIEH-LJQANCHMSA-N 2 0 423.992 3.918 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237739173 970351042 /nfs/dbraw/zinc/35/10/42/970351042.db2.gz GCJMUSIZJNIMLS-NRFANRHFSA-N 2 0 405.586 3.856 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237855514 970381931 /nfs/dbraw/zinc/38/19/31/970381931.db2.gz NDKMSFMRVBWZDP-HXUWFJFHSA-N 2 0 404.986 3.528 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000255958486 970610530 /nfs/dbraw/zinc/61/05/30/970610530.db2.gz XWGUUOPZAGNVJO-SIKLNZKXSA-N 2 0 416.610 3.642 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000554733136 1014034319 /nfs/dbraw/zinc/03/43/19/1014034319.db2.gz ASYYZKKIKMMEDR-IBGZPJMESA-N 2 0 405.384 3.535 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303941 972780231 /nfs/dbraw/zinc/78/02/31/972780231.db2.gz BHEAXQRKRQPIAP-LRQRDZAKSA-N 2 0 403.364 3.983 20 0 HHADRP OC1(C[NH2+]Cc2c(F)cccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397608533 972871926 /nfs/dbraw/zinc/87/19/26/972871926.db2.gz YFYDMILYCLBFHF-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000409703870 973174707 /nfs/dbraw/zinc/17/47/07/973174707.db2.gz VYTNJBBBQZPCPX-UHFFFAOYSA-N 2 0 407.602 3.922 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000409943960 973408818 /nfs/dbraw/zinc/40/88/18/973408818.db2.gz REWOERLJCULVNR-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410044992 973526060 /nfs/dbraw/zinc/52/60/60/973526060.db2.gz XDVGOWVBKOYFJU-NRFANRHFSA-N 2 0 421.589 3.773 20 0 HHADRP CC[N@H+](CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000425990514 974103055 /nfs/dbraw/zinc/10/30/55/974103055.db2.gz MNQGLDRNZAJETI-GOSISDBHSA-N 2 0 414.516 3.567 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000426012225 974130243 /nfs/dbraw/zinc/13/02/43/974130243.db2.gz CGHFYUATANJIIN-QIJUGHKUSA-N 2 0 409.578 3.921 20 0 HHADRP C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000426793923 974665171 /nfs/dbraw/zinc/66/51/71/974665171.db2.gz RWDPSOQDLPAPQH-IRXDYDNUSA-N 2 0 422.411 3.602 20 0 HHADRP C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)C[C@H](C)O1 ZINC000427342594 975065423 /nfs/dbraw/zinc/06/54/23/975065423.db2.gz QAIBSQUCSOGBIH-PMACEKPBSA-N 2 0 422.573 3.599 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356691 975074977 /nfs/dbraw/zinc/07/49/77/975074977.db2.gz HMPCUPNWGMIYKZ-OYRHEFFESA-N 2 0 413.606 3.634 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ncc(C(F)(F)F)cc43)cn2)CC1 ZINC000427622422 975213817 /nfs/dbraw/zinc/21/38/17/975213817.db2.gz RHYHLYXGNIPQTC-LJQANCHMSA-N 2 0 419.495 3.805 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427717612 975250591 /nfs/dbraw/zinc/25/05/91/975250591.db2.gz HTUDPQYKCSXXNT-IBGZPJMESA-N 2 0 420.479 3.559 20 0 HHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ncc(Br)cc1F ZINC000427720551 975252108 /nfs/dbraw/zinc/25/21/08/975252108.db2.gz NWIRJDAVSAQBFG-HNNXBMFYSA-N 2 0 413.379 3.584 20 0 HHADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000428233811 975552622 /nfs/dbraw/zinc/55/26/22/975552622.db2.gz USPILPOFVBLRPK-CCDWMCETSA-N 2 0 405.586 3.869 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000428643788 975945808 /nfs/dbraw/zinc/94/58/08/975945808.db2.gz RUXYUPJVHQLNMD-MQSCRBSSSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428914110 976215068 /nfs/dbraw/zinc/21/50/68/976215068.db2.gz XYNQQZDOJPQMQZ-AVRDEDQJSA-N 2 0 412.553 3.740 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000429085161 976370870 /nfs/dbraw/zinc/37/08/70/976370870.db2.gz YPKXCZDNYXVALO-LEWJYISDSA-N 2 0 423.605 3.817 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000430003132 977264013 /nfs/dbraw/zinc/26/40/13/977264013.db2.gz PTFILMHEXIRDIG-BGYRXZFFSA-N 2 0 420.557 3.780 20 0 HHADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430925681 977890683 /nfs/dbraw/zinc/89/06/83/977890683.db2.gz LYAMJKJUPNEGQR-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933678 977898558 /nfs/dbraw/zinc/89/85/58/977898558.db2.gz LPORFZCTXPTMSM-LJQANCHMSA-N 2 0 411.594 3.926 20 0 HHADRP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951430 977910344 /nfs/dbraw/zinc/91/03/44/977910344.db2.gz LINIIZBMAUVNBF-NRFANRHFSA-N 2 0 418.670 3.510 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431056862 977985972 /nfs/dbraw/zinc/98/59/72/977985972.db2.gz FPCDKRZROBBKJN-DENIHFKCSA-N 2 0 410.562 3.802 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157842 978058232 /nfs/dbraw/zinc/05/82/32/978058232.db2.gz ZBYICHMMXMDPOR-JOCHJYFZSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[NH+]1CCC(C)CC1 ZINC000431287902 978173551 /nfs/dbraw/zinc/17/35/51/978173551.db2.gz PINFAXAZQVOPCJ-QFIPXVFZSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431319292 978204304 /nfs/dbraw/zinc/20/43/04/978204304.db2.gz QALWPYXVQUVBGY-UHFFFAOYSA-N 2 0 410.606 3.701 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000431553451 978357495 /nfs/dbraw/zinc/35/74/95/978357495.db2.gz RTZPYFBFAAPJHD-UHFFFAOYSA-N 2 0 403.636 3.723 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000431631787 978397253 /nfs/dbraw/zinc/39/72/53/978397253.db2.gz SUKIBAKHRZZIFQ-FQEVSTJZSA-N 2 0 406.640 3.942 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000431677029 978429889 /nfs/dbraw/zinc/42/98/89/978429889.db2.gz TVRKKCOPPRHJMX-APTRMMRNSA-N 2 0 424.589 3.650 20 0 HHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCCO1 ZINC000432360790 978777165 /nfs/dbraw/zinc/77/71/65/978777165.db2.gz XMIAVDUKODYKQA-ZDUSSCGKSA-N 2 0 407.299 3.641 20 0 HHADRP COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000432837132 978988268 /nfs/dbraw/zinc/98/82/68/978988268.db2.gz QVLPSXRHUJRRHL-OQQNJPJOSA-N 2 0 414.590 3.790 20 0 HHADRP C[C@@H](SCC[N@H+](C)Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000433018166 979043459 /nfs/dbraw/zinc/04/34/59/979043459.db2.gz FNKPVVHRHMMOJJ-NFBKMPQASA-N 2 0 411.615 3.631 20 0 HHADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC(=O)Nc1ccccc1 ZINC000433126074 979086537 /nfs/dbraw/zinc/08/65/37/979086537.db2.gz BFRXATKKSZKFOV-UHFFFAOYSA-N 2 0 420.557 3.713 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433363179 979256889 /nfs/dbraw/zinc/25/68/89/979256889.db2.gz GYUACTPSTAASHU-UPVQGACJSA-N 2 0 409.574 3.898 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433816622 979597467 /nfs/dbraw/zinc/59/74/67/979597467.db2.gz XXGSABNQJZCXGO-SFHVURJKSA-N 2 0 415.607 3.998 20 0 HHADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000434313603 980074098 /nfs/dbraw/zinc/07/40/98/980074098.db2.gz AVBAWMFHGXLFTB-IFMALSPDSA-N 2 0 409.578 3.842 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000436276143 981281025 /nfs/dbraw/zinc/28/10/25/981281025.db2.gz RUHFQCIPHVFAOV-BGYRXZFFSA-N 2 0 422.548 3.970 20 0 HHADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)n2)ccc1O ZINC000436742519 981541394 /nfs/dbraw/zinc/54/13/94/981541394.db2.gz WMRJOFJTIYPCGY-GUDVDZBRSA-N 2 0 414.550 3.626 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208985 981622998 /nfs/dbraw/zinc/62/29/98/981622998.db2.gz MTAWTQIHVSFXRC-VWNXMTODSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000448210966 981624744 /nfs/dbraw/zinc/62/47/44/981624744.db2.gz DVAOOSSXJHFKGD-YMPZKCBVSA-N 2 0 400.611 3.707 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448217957 981632487 /nfs/dbraw/zinc/63/24/87/981632487.db2.gz QXYJNPKXUKCHLJ-QPPBQGQZSA-N 2 0 410.606 3.618 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448463335 981797107 /nfs/dbraw/zinc/79/71/07/981797107.db2.gz ARKKLMMSFHHDJF-YYWHXJBOSA-N 2 0 407.002 3.849 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H](C)C1 ZINC000448464800 981798921 /nfs/dbraw/zinc/79/89/21/981798921.db2.gz GBZSIBCAHYRBRP-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448467822 981804457 /nfs/dbraw/zinc/80/44/57/981804457.db2.gz RRYWRGSSIYFOQN-ACIOBRDBSA-N 2 0 400.611 3.831 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448468582 981807420 /nfs/dbraw/zinc/80/74/20/981807420.db2.gz VIJZZKXPQPGEFO-UPVQGACJSA-N 2 0 410.606 3.831 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000448475494 981817969 /nfs/dbraw/zinc/81/79/69/981817969.db2.gz TZOQYIXHENWVGO-HXUWFJFHSA-N 2 0 409.018 3.781 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000448521134 981849481 /nfs/dbraw/zinc/84/94/81/981849481.db2.gz NDXLWKGTFKTNFZ-VMBXEPDQSA-N 2 0 400.611 3.515 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000460403536 982184878 /nfs/dbraw/zinc/18/48/78/982184878.db2.gz ROJQMABVCUNKCE-DHIUTWEWSA-N 2 0 400.611 3.659 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000437625077 982246247 /nfs/dbraw/zinc/24/62/47/982246247.db2.gz OEHBYIRMQKSWDB-KRWDZBQOSA-N 2 0 416.488 3.508 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437644372 982264015 /nfs/dbraw/zinc/26/40/15/982264015.db2.gz VYFZRYGHGGHVEX-UPVQGACJSA-N 2 0 412.622 3.647 20 0 HHADRP Cc1nccn1CCCN(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000437967381 982495177 /nfs/dbraw/zinc/49/51/77/982495177.db2.gz ZFAGAQDMJHTTKH-UHFFFAOYSA-N 2 0 417.985 3.789 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000438114907 982595116 /nfs/dbraw/zinc/59/51/16/982595116.db2.gz PLYOQCRFOHRSBD-PMACEKPBSA-N 2 0 414.569 3.782 20 0 HHADRP Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000438295738 982706565 /nfs/dbraw/zinc/70/65/65/982706565.db2.gz VTQXPRIUZODSML-JOCHJYFZSA-N 2 0 424.589 3.921 20 0 HHADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327499 982725592 /nfs/dbraw/zinc/72/55/92/982725592.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 2 0 413.610 3.513 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000461260178 982966022 /nfs/dbraw/zinc/96/60/22/982966022.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 2 0 411.512 3.774 20 0 HHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439681 983103898 /nfs/dbraw/zinc/10/38/98/983103898.db2.gz TYWUIIKMPWAKHV-XZOQPEGZSA-N 2 0 412.537 3.841 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000438865650 983130337 /nfs/dbraw/zinc/13/03/37/983130337.db2.gz RZHPEHZIJSNONN-UXHICEINSA-N 2 0 415.626 3.807 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439076168 983238782 /nfs/dbraw/zinc/23/87/82/983238782.db2.gz HJRPEKCACMWLKE-IBGZPJMESA-N 2 0 424.589 3.642 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194285 983303401 /nfs/dbraw/zinc/30/34/01/983303401.db2.gz VYIVLSIJADEUAK-YOSAUDMPSA-N 2 0 421.589 3.569 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000439258266 983335208 /nfs/dbraw/zinc/33/52/08/983335208.db2.gz KKQRKAWQPFAJEJ-AABGKKOBSA-N 2 0 404.624 3.789 20 0 HHADRP C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440327501 983723085 /nfs/dbraw/zinc/72/30/85/983723085.db2.gz NFOHUFWCVUVKIE-MRXNPFEDSA-N 2 0 411.550 3.947 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000440769832 983898440 /nfs/dbraw/zinc/89/84/40/983898440.db2.gz FYQDBNIJEBYKMH-PGRDOPGGSA-N 2 0 406.574 3.840 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000441519727 984299903 /nfs/dbraw/zinc/29/99/03/984299903.db2.gz BCCVQMOPMSMUTO-KTKPDYKZSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1cc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000441634956 984366567 /nfs/dbraw/zinc/36/65/67/984366567.db2.gz OALXYHRATYITSA-UHFFFAOYSA-N 2 0 416.614 3.626 20 0 HHADRP C[C@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000462120387 985090710 /nfs/dbraw/zinc/09/07/10/985090710.db2.gz JISVOXUVBMHKEW-LJQANCHMSA-N 2 0 401.545 3.592 20 0 HHADRP CC[NH+](CC)CCOc1ccc(-c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)cc1OC ZINC000443199195 985439290 /nfs/dbraw/zinc/43/92/90/985439290.db2.gz DABKEJPPDUMHQG-IAGOWNOFSA-N 2 0 402.539 3.839 20 0 HHADRP C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234615 985455960 /nfs/dbraw/zinc/45/59/60/985455960.db2.gz APJCULLSCFALCU-HYBUGGRVSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236497 985456976 /nfs/dbraw/zinc/45/69/76/985456976.db2.gz GFLGBGVPZOUBJX-QAPCUYQASA-N 2 0 414.516 3.555 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c2ccccc2)CC1 ZINC000467973338 985616787 /nfs/dbraw/zinc/61/67/87/985616787.db2.gz MKJJPNLRCQLTEO-QHCPKHFHSA-N 2 0 413.606 3.611 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462748610 985690010 /nfs/dbraw/zinc/69/00/10/985690010.db2.gz DQHHADQFIUWBCA-DNQXCXABSA-N 2 0 412.622 3.949 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750038 985691042 /nfs/dbraw/zinc/69/10/42/985691042.db2.gz LQQHJSJVTZDQQI-DNQXCXABSA-N 2 0 412.622 3.662 20 0 HHADRP CCNC(=O)N1CC[C@H]([NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809399 985739358 /nfs/dbraw/zinc/73/93/58/985739358.db2.gz IODACZYDUVPOLD-FCHUYYIVSA-N 2 0 404.574 3.772 20 0 HHADRP CCNC(=O)N1CC[C@H]([NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809401 985739381 /nfs/dbraw/zinc/73/93/81/985739381.db2.gz IODACZYDUVPOLD-VXKWHMMOSA-N 2 0 404.574 3.772 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C1 ZINC000443636092 985818710 /nfs/dbraw/zinc/81/87/10/985818710.db2.gz BJBJXKZNYHWKFP-FAKFISEUSA-N 2 0 400.611 3.646 20 0 HHADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468233650 985930920 /nfs/dbraw/zinc/93/09/20/985930920.db2.gz IXKOECNZOGTSSC-XZOQPEGZSA-N 2 0 411.977 3.720 20 0 HHADRP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463244829 986213031 /nfs/dbraw/zinc/21/30/31/986213031.db2.gz YZRHPLGTLMCMEI-RZFJZAQRSA-N 2 0 407.602 3.920 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272794 986239990 /nfs/dbraw/zinc/23/99/90/986239990.db2.gz UITXOFSDLUFHFI-SQJMNOBHSA-N 2 0 420.601 3.813 20 0 HHADRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000444136896 986326222 /nfs/dbraw/zinc/32/62/22/986326222.db2.gz YWOJZDYIAMCSCQ-GOSISDBHSA-N 2 0 405.546 3.537 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000468686010 986397641 /nfs/dbraw/zinc/39/76/41/986397641.db2.gz BSUFWDJCKXMOSD-YLJYHZDGSA-N 2 0 412.981 3.845 20 0 HHADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000468710224 986424625 /nfs/dbraw/zinc/42/46/25/986424625.db2.gz RNDLNRAGSQFOEP-JOCHJYFZSA-N 2 0 408.546 3.570 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)Cn3cc(Br)cn3)CC2)cc1 ZINC000468762880 986476673 /nfs/dbraw/zinc/47/66/73/986476673.db2.gz AOPVZJXFDAKECM-MRXNPFEDSA-N 2 0 421.383 3.545 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)cc2)CC1 ZINC000468796822 986506292 /nfs/dbraw/zinc/50/62/92/986506292.db2.gz BVGNJFQPYDMSKJ-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893878 /nfs/dbraw/zinc/89/38/78/986893878.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 2 0 410.606 3.844 20 0 HHADRP Cc1nc(NCC2CC[NH+](C3CC3)CC2)c(NCC2CC[NH+](C3CC3)CC2)nc1C ZINC000444877191 987030056 /nfs/dbraw/zinc/03/00/56/987030056.db2.gz OTEPXSRSJNANPG-UHFFFAOYSA-N 2 0 412.626 3.666 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000469425003 987113237 /nfs/dbraw/zinc/11/32/37/987113237.db2.gz VJZMRSMYOHAGPR-XMMPIXPASA-N 2 0 423.605 3.502 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000469696420 987354019 /nfs/dbraw/zinc/35/40/19/987354019.db2.gz UXRXEZOQTSZFKL-JOCHJYFZSA-N 2 0 420.601 3.565 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000469756817 987409925 /nfs/dbraw/zinc/40/99/25/987409925.db2.gz IJYMTCSUVGDFMC-JGQIHZOTSA-N 2 0 402.966 3.826 20 0 HHADRP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469779091 987427041 /nfs/dbraw/zinc/42/70/41/987427041.db2.gz HBHNGYLZYAPFIG-FOTFPPMPSA-N 2 0 412.574 3.571 20 0 HHADRP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469797325 987440488 /nfs/dbraw/zinc/44/04/88/987440488.db2.gz PGSBIOFYKQIDCH-UXHICEINSA-N 2 0 407.649 3.828 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000463972357 988084373 /nfs/dbraw/zinc/08/43/73/988084373.db2.gz VYWKAIUOSXLMSK-FRQCXROJSA-N 2 0 406.621 3.795 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229108 988162013 /nfs/dbraw/zinc/16/20/13/988162013.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 2 0 423.523 3.631 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470268607 988218239 /nfs/dbraw/zinc/21/82/39/988218239.db2.gz NKWFWWXDGHNPSM-FQEVSTJZSA-N 2 0 413.566 3.838 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279397 988234211 /nfs/dbraw/zinc/23/42/11/988234211.db2.gz KKWHRVNOQXTDJZ-LPHOPBHVSA-N 2 0 414.516 3.681 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470282844 988238708 /nfs/dbraw/zinc/23/87/08/988238708.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 2 0 400.611 3.516 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470286161 988242793 /nfs/dbraw/zinc/24/27/93/988242793.db2.gz VYHKBBVCXFEIGQ-MOPGFXCFSA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288080 988245910 /nfs/dbraw/zinc/24/59/10/988245910.db2.gz RSUOWORFSLYXLP-XZOQPEGZSA-N 2 0 400.611 3.803 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470551099 988562625 /nfs/dbraw/zinc/56/26/25/988562625.db2.gz IEDSCRDBHJZPNM-NRFANRHFSA-N 2 0 400.526 3.841 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000470731332 988763765 /nfs/dbraw/zinc/76/37/65/988763765.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738019 988774781 /nfs/dbraw/zinc/77/47/81/988774781.db2.gz RTUPOORHIKECDX-YKSBVNFPSA-N 2 0 412.622 3.792 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739211 988777022 /nfs/dbraw/zinc/77/70/22/988777022.db2.gz YVDLOCVXPZMXKE-VXKWHMMOSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470749459 988790502 /nfs/dbraw/zinc/79/05/02/988790502.db2.gz NZUHEJPXRHNTRW-BHIFYINESA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470749458 988790653 /nfs/dbraw/zinc/79/06/53/988790653.db2.gz NZUHEJPXRHNTRW-BDTNDASRSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900625 988975676 /nfs/dbraw/zinc/97/56/76/988975676.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 2 0 408.590 3.813 20 0 HHADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768943 988992903 /nfs/dbraw/zinc/99/29/03/988992903.db2.gz CPOWRDYQTIVXKW-FGZHOGPDSA-N 2 0 403.636 3.635 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000471001705 989068405 /nfs/dbraw/zinc/06/84/05/989068405.db2.gz RLRCDGSVOYYRMF-CVDCTZTESA-N 2 0 424.589 3.583 20 0 HHADRP COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000464984588 989289706 /nfs/dbraw/zinc/28/97/06/989289706.db2.gz OITATTAEDBBUNQ-JOCHJYFZSA-N 2 0 419.525 3.815 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000471231013 989375711 /nfs/dbraw/zinc/37/57/11/989375711.db2.gz BVFOHYRQUQZKBX-GUYCJALGSA-N 2 0 400.336 3.579 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000471231011 989376091 /nfs/dbraw/zinc/37/60/91/989376091.db2.gz BVFOHYRQUQZKBX-CXAGYDPISA-N 2 0 400.336 3.579 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000465425850 989769621 /nfs/dbraw/zinc/76/96/21/989769621.db2.gz BZODTCGPBKYXDR-LPHOPBHVSA-N 2 0 414.516 3.824 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465427305 989772502 /nfs/dbraw/zinc/77/25/02/989772502.db2.gz ISGJCDQGFBPFQF-DEOSSOPVSA-N 2 0 420.601 3.815 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465430295 989775502 /nfs/dbraw/zinc/77/55/02/989775502.db2.gz GZZLNGWVANCJRP-ONTIZHBOSA-N 2 0 414.619 3.603 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000465456714 989796584 /nfs/dbraw/zinc/79/65/84/989796584.db2.gz NLKSWTLKZKDHLB-KRWDZBQOSA-N 2 0 401.382 3.551 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000465456715 989796688 /nfs/dbraw/zinc/79/66/88/989796688.db2.gz NLKSWTLKZKDHLB-QGZVFWFLSA-N 2 0 401.382 3.551 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459411 989799489 /nfs/dbraw/zinc/79/94/89/989799489.db2.gz UKHKTGQGEMODAN-SBHAEUEKSA-N 2 0 400.592 3.733 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471598684 989801868 /nfs/dbraw/zinc/80/18/68/989801868.db2.gz LRQSDICNEGRMQZ-UPVQGACJSA-N 2 0 406.574 3.645 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471609743 989814262 /nfs/dbraw/zinc/81/42/62/989814262.db2.gz KGHQOFCHWVIALP-CTWPCTMYSA-N 2 0 418.548 3.601 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528960 989887377 /nfs/dbraw/zinc/88/73/77/989887377.db2.gz UXCWELJHVWUBGE-NHCUHLMSSA-N 2 0 407.002 3.993 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000465530013 989890203 /nfs/dbraw/zinc/89/02/03/989890203.db2.gz XYXNTLFRXBQKCP-MQSCRBSSSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465534354 989895921 /nfs/dbraw/zinc/89/59/21/989895921.db2.gz PZWZLRNASAZTAL-MQSCRBSSSA-N 2 0 400.611 3.518 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000465534730 989896478 /nfs/dbraw/zinc/89/64/78/989896478.db2.gz SSMFMSITXTYKTR-ZRCGQRJVSA-N 2 0 400.611 3.790 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000465555684 989919052 /nfs/dbraw/zinc/91/90/52/989919052.db2.gz YNKBZMHGNGMBAN-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000471732967 989929459 /nfs/dbraw/zinc/92/94/59/989929459.db2.gz BBMWFEREGRUONW-VWLOTQADSA-N 2 0 420.601 3.720 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465588035 989964339 /nfs/dbraw/zinc/96/43/39/989964339.db2.gz DEVRTLDJGSKSPW-AOHZBQACSA-N 2 0 414.638 3.908 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465593678 989973160 /nfs/dbraw/zinc/97/31/60/989973160.db2.gz GUHFJLLCPHGERW-SVFBPWRDSA-N 2 0 406.640 3.942 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465604666 989986620 /nfs/dbraw/zinc/98/66/20/989986620.db2.gz QLSHPTRIPGNTBB-HSZRJFAPSA-N 2 0 420.601 3.946 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617851 990003960 /nfs/dbraw/zinc/00/39/60/990003960.db2.gz DPLUOXJESIUMTF-IFMALSPDSA-N 2 0 414.619 3.952 20 0 HHADRP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689191 990074160 /nfs/dbraw/zinc/07/41/60/990074160.db2.gz GRSYZEOBADOTTQ-FYYLOGMGSA-N 2 0 420.601 3.597 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916574 990083631 /nfs/dbraw/zinc/08/36/31/990083631.db2.gz WYQPDPQAZRTXAE-UNMCSNQZSA-N 2 0 408.590 3.937 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465784594 990167044 /nfs/dbraw/zinc/16/70/44/990167044.db2.gz QBWZZAAHWVSYAG-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000465891711 991017191 /nfs/dbraw/zinc/01/71/91/991017191.db2.gz QIZBRPGKUJIMRL-XALAGWIPSA-N 2 0 410.606 3.746 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000465939982 991077950 /nfs/dbraw/zinc/07/79/50/991077950.db2.gz JLEITZLMIZCFHI-QHCPKHFHSA-N 2 0 400.611 3.792 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466073660 991246661 /nfs/dbraw/zinc/24/66/61/991246661.db2.gz DKIVWGXNWBAVJW-SVFBPWRDSA-N 2 0 404.624 3.695 20 0 HHADRP Cc1c(-c2cc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)on2)cnn1C ZINC000466232783 991458489 /nfs/dbraw/zinc/45/84/89/991458489.db2.gz UGOXPSJHLUWJJC-UHFFFAOYSA-N 2 0 405.546 3.872 20 0 HHADRP Brc1cncc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000466451050 991741476 /nfs/dbraw/zinc/74/14/76/991741476.db2.gz DISISCYVRVGHOU-UHFFFAOYSA-N 2 0 404.352 3.651 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467086518 992391953 /nfs/dbraw/zinc/39/19/53/992391953.db2.gz UVAUSKFLYBGBSB-PXDATVDWSA-N 2 0 422.617 3.985 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000467097111 992402653 /nfs/dbraw/zinc/40/26/53/992402653.db2.gz VYKSQXRFHSBDRX-RBBKRZOGSA-N 2 0 414.619 3.735 20 0 HHADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000467378372 992694732 /nfs/dbraw/zinc/69/47/32/992694732.db2.gz VDEJQKFHIKMZQG-SFTDATJTSA-N 2 0 400.611 3.633 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467401170 992708825 /nfs/dbraw/zinc/70/88/25/992708825.db2.gz BMIUASAGVOCXJK-LAUBAEHRSA-N 2 0 424.427 3.532 20 0 HHADRP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000472144057 993199460 /nfs/dbraw/zinc/19/94/60/993199460.db2.gz LSMANRSWEBRCHN-KRWDZBQOSA-N 2 0 411.521 3.832 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000472163698 993212549 /nfs/dbraw/zinc/21/25/49/993212549.db2.gz YAMWTZYUINSXQB-ZDUSSCGKSA-N 2 0 408.306 3.584 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000472304409 993316910 /nfs/dbraw/zinc/31/69/10/993316910.db2.gz GJGZFYWZYGESIY-DEOSSOPVSA-N 2 0 412.622 3.806 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000480727629 993595203 /nfs/dbraw/zinc/59/52/03/993595203.db2.gz DCGQPPUEJSTNEU-MRXNPFEDSA-N 2 0 408.575 3.511 20 0 HHADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000480745177 993612817 /nfs/dbraw/zinc/61/28/17/993612817.db2.gz NAMMGTHGNWDWQU-HXUWFJFHSA-N 2 0 403.574 3.902 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480757488 993623020 /nfs/dbraw/zinc/62/30/20/993623020.db2.gz LINGNODMOOCBNZ-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778993 993645815 /nfs/dbraw/zinc/64/58/15/993645815.db2.gz JIPBEBKVOUVWDE-PXDATVDWSA-N 2 0 403.574 3.902 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480780291 993647241 /nfs/dbraw/zinc/64/72/41/993647241.db2.gz QBSCSPOXKSUAGJ-QGZVFWFLSA-N 2 0 409.500 3.692 20 0 HHADRP COc1cc(F)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000480797800 993666679 /nfs/dbraw/zinc/66/66/79/993666679.db2.gz RNHOMIFEZLSWMK-GCJKJVERSA-N 2 0 415.553 3.872 20 0 HHADRP C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000472908416 993835134 /nfs/dbraw/zinc/83/51/34/993835134.db2.gz PCULECCCRCFNJQ-NRFANRHFSA-N 2 0 408.590 3.861 20 0 HHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049815 993892898 /nfs/dbraw/zinc/89/28/98/993892898.db2.gz NTWYNDPLLKTXOJ-WMLDXEAASA-N 2 0 414.331 3.826 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(-c4c(OC)ccc5ccccc54)no3)C2)CC1 ZINC000481122045 993957164 /nfs/dbraw/zinc/95/71/64/993957164.db2.gz VJMFBRMFHTUZPH-FQEVSTJZSA-N 2 0 420.557 3.715 20 0 HHADRP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481202464 994036097 /nfs/dbraw/zinc/03/60/97/994036097.db2.gz SNVDDLNEQGNZKD-INJYRCFNSA-N 2 0 424.585 3.968 20 0 HHADRP CCOc1ccc([C@H](CC)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OCC ZINC000481259631 994081103 /nfs/dbraw/zinc/08/11/03/994081103.db2.gz SBLSCGODXFNWLK-NRFANRHFSA-N 2 0 412.578 3.872 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000481304070 994119821 /nfs/dbraw/zinc/11/98/21/994119821.db2.gz XQGVGMIDZKDHIH-WIYYLYMNSA-N 2 0 413.566 3.672 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000481304067 994119887 /nfs/dbraw/zinc/11/98/87/994119887.db2.gz XQGVGMIDZKDHIH-RXVVDRJESA-N 2 0 413.566 3.672 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321915 994141249 /nfs/dbraw/zinc/14/12/49/994141249.db2.gz YOQXJXQYJVHTLQ-PBBNMVCDSA-N 2 0 413.631 3.673 20 0 HHADRP CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481571673 994407269 /nfs/dbraw/zinc/40/72/69/994407269.db2.gz YBDGWHUFVVKUBV-IBGZPJMESA-N 2 0 417.619 3.891 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473746593 994650944 /nfs/dbraw/zinc/65/09/44/994650944.db2.gz HECISPNXNWHFNW-GIWBLDEGSA-N 2 0 400.611 3.831 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)c2)CC1 ZINC000473826197 994755294 /nfs/dbraw/zinc/75/52/94/994755294.db2.gz DXTVHCSETNQBOK-UHFFFAOYSA-N 2 0 421.589 3.746 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000481920624 994792296 /nfs/dbraw/zinc/79/22/96/994792296.db2.gz FMCQLJZQFSXWPT-GOSISDBHSA-N 2 0 421.511 3.618 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000481928370 994800105 /nfs/dbraw/zinc/80/01/05/994800105.db2.gz RIEBMANLLCOTMM-SFHVURJKSA-N 2 0 406.496 3.833 20 0 HHADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473875470 994819216 /nfs/dbraw/zinc/81/92/16/994819216.db2.gz NQMMYUMBTFMZGI-NZQKXSOJSA-N 2 0 400.611 3.974 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000473878265 994823373 /nfs/dbraw/zinc/82/33/73/994823373.db2.gz SKARPONZOLAZKC-QEFHDYNCSA-N 2 0 408.590 3.745 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000473878269 994823748 /nfs/dbraw/zinc/82/37/48/994823748.db2.gz SKARPONZOLAZKC-VIZSFHNOSA-N 2 0 408.590 3.745 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000473889075 994840297 /nfs/dbraw/zinc/84/02/97/994840297.db2.gz ZWQURZLICPTROC-ZPFZUWPUSA-N 2 0 414.638 3.954 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000482050410 994975728 /nfs/dbraw/zinc/97/57/28/994975728.db2.gz PMWMXXQLPLMMLU-WUMKDDEVSA-N 2 0 411.590 3.744 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474033620 995023984 /nfs/dbraw/zinc/02/39/84/995023984.db2.gz KUCQDZWDYWQAQQ-XVAXZDLZSA-N 2 0 404.986 3.793 20 0 HHADRP COC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000482118216 995065275 /nfs/dbraw/zinc/06/52/75/995065275.db2.gz HSORRCXETHANOT-OAQYLSRUSA-N 2 0 422.495 3.590 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000482124485 995073090 /nfs/dbraw/zinc/07/30/90/995073090.db2.gz YRNKSDRPOSJHSW-XXBNENTESA-N 2 0 410.562 3.561 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCCCC1 ZINC000474134649 995111278 /nfs/dbraw/zinc/11/12/78/995111278.db2.gz JDJDYRUVRSVNBT-QETWGEEDSA-N 2 0 414.594 3.538 20 0 HHADRP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000482243748 995224795 /nfs/dbraw/zinc/22/47/95/995224795.db2.gz PHKNGEVQTRZAQA-UHFFFAOYSA-N 2 0 402.922 3.891 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1OC ZINC000482244579 995225522 /nfs/dbraw/zinc/22/55/22/995225522.db2.gz OTYWDQQADJOQLN-FQEVSTJZSA-N 2 0 403.954 3.881 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000482263714 995241615 /nfs/dbraw/zinc/24/16/15/995241615.db2.gz STSYSEOCGLTNRR-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482356368 995336565 /nfs/dbraw/zinc/33/65/65/995336565.db2.gz KKGGZPNJYOHKFF-IBGZPJMESA-N 2 0 410.400 3.526 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366952 995346704 /nfs/dbraw/zinc/34/67/04/995346704.db2.gz OQHNPUYYZRZBIE-UYAOXDASSA-N 2 0 424.511 3.649 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)CN1CC[NH+](C)CC1 ZINC000482447114 995446240 /nfs/dbraw/zinc/44/62/40/995446240.db2.gz LPYJNGWDIPLRNV-VQIMIIECSA-N 2 0 402.583 3.800 20 0 HHADRP C[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)CN1CC[NH+](C)CC1 ZINC000482447109 995446351 /nfs/dbraw/zinc/44/63/51/995446351.db2.gz LPYJNGWDIPLRNV-LPHOPBHVSA-N 2 0 402.583 3.800 20 0 HHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482453701 995453676 /nfs/dbraw/zinc/45/36/76/995453676.db2.gz CTQIVVZNCMTMGV-QGZVFWFLSA-N 2 0 416.639 3.792 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000482455079 995456016 /nfs/dbraw/zinc/45/60/16/995456016.db2.gz FTLIQTXJOGZUIW-QFUCXCTJSA-N 2 0 424.427 3.754 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000482456414 995458350 /nfs/dbraw/zinc/45/83/50/995458350.db2.gz ZWMUEBCBEJMUNC-LJQANCHMSA-N 2 0 422.602 3.853 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000474505786 995465367 /nfs/dbraw/zinc/46/53/67/995465367.db2.gz LADZWZXIEHOSNC-JBPLPALLSA-N 2 0 400.611 3.657 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000474516419 995480160 /nfs/dbraw/zinc/48/01/60/995480160.db2.gz JRKBTFBYPWCQGM-SJBKTWHCSA-N 2 0 400.611 3.659 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474519657 995483238 /nfs/dbraw/zinc/48/32/38/995483238.db2.gz RGKDHYMOVKRMHX-PMACEKPBSA-N 2 0 400.611 3.659 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000474525608 995490897 /nfs/dbraw/zinc/49/08/97/995490897.db2.gz RHUMYYMBKSIFEL-SKWRMQMOSA-N 2 0 400.611 3.516 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474529335 995495137 /nfs/dbraw/zinc/49/51/37/995495137.db2.gz YNSRIZTWVDEAPA-XPNTWCBSSA-N 2 0 412.622 3.803 20 0 HHADRP CCC1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000474556117 995521129 /nfs/dbraw/zinc/52/11/29/995521129.db2.gz ZNYOHKJORDWHOQ-UHFFFAOYSA-N 2 0 412.622 3.995 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474557007 995522060 /nfs/dbraw/zinc/52/20/60/995522060.db2.gz JZAHXLXZJGBXMV-GHQDRPGLSA-N 2 0 422.976 3.788 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474557012 995522342 /nfs/dbraw/zinc/52/23/42/995522342.db2.gz JZAHXLXZJGBXMV-XFYJMZHFSA-N 2 0 422.976 3.788 20 0 HHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482621722 995617091 /nfs/dbraw/zinc/61/70/91/995617091.db2.gz UCCFEAIFZKDBPU-RTBURBONSA-N 2 0 412.603 3.570 20 0 HHADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625368 995620436 /nfs/dbraw/zinc/62/04/36/995620436.db2.gz CSDAHISCHSYPLH-PMACEKPBSA-N 2 0 417.619 3.945 20 0 HHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631652 995625797 /nfs/dbraw/zinc/62/57/97/995625797.db2.gz OEJPZPVRRUNVIU-QPPBQGQZSA-N 2 0 407.558 3.560 20 0 HHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000482634147 995628177 /nfs/dbraw/zinc/62/81/77/995628177.db2.gz ISQAOKKMCLXNFS-KXBFYZLASA-N 2 0 400.592 3.562 20 0 HHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000482662822 995654708 /nfs/dbraw/zinc/65/47/08/995654708.db2.gz YPEOTBGZNBOSTL-IAGOWNOFSA-N 2 0 420.395 3.595 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474733106 995667476 /nfs/dbraw/zinc/66/74/76/995667476.db2.gz WTXQVPYOFVCZPD-FGTMMUONSA-N 2 0 420.026 3.876 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474894949 995785006 /nfs/dbraw/zinc/78/50/06/995785006.db2.gz KNUFKLQDPYCGIA-UHFFFAOYSA-N 2 0 408.306 3.585 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475006870 995863529 /nfs/dbraw/zinc/86/35/29/995863529.db2.gz AIRGRGOJXUALKV-VXKWHMMOSA-N 2 0 410.562 3.723 20 0 HHADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475006869 995863556 /nfs/dbraw/zinc/86/35/56/995863556.db2.gz AIRGRGOJXUALKV-FGZHOGPDSA-N 2 0 410.562 3.723 20 0 HHADRP CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015811 995871747 /nfs/dbraw/zinc/87/17/47/995871747.db2.gz KLLJINOZIUAJMS-NHCUHLMSSA-N 2 0 412.603 3.801 20 0 HHADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018143 995873578 /nfs/dbraw/zinc/87/35/78/995873578.db2.gz RBANMOBKEQJVDI-XMMPIXPASA-N 2 0 406.574 3.698 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117557 995933135 /nfs/dbraw/zinc/93/31/35/995933135.db2.gz HJUIGOCAJLCWDK-WIOPSUGQSA-N 2 0 410.606 3.701 20 0 HHADRP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475130570 995941736 /nfs/dbraw/zinc/94/17/36/995941736.db2.gz QPDSBHJPKBVCEM-DNQXCXABSA-N 2 0 406.574 3.739 20 0 HHADRP CCN(C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475165240 995965080 /nfs/dbraw/zinc/96/50/80/995965080.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475171223 995969467 /nfs/dbraw/zinc/96/94/67/995969467.db2.gz DAOVPPXWINEYOZ-DEOSSOPVSA-N 2 0 421.589 3.604 20 0 HHADRP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475184751 995981329 /nfs/dbraw/zinc/98/13/29/995981329.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 2 0 412.622 3.945 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475280103 996042127 /nfs/dbraw/zinc/04/21/27/996042127.db2.gz NFAATSSRURUGQC-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475317980 996067041 /nfs/dbraw/zinc/06/70/41/996067041.db2.gz HFJQKCOSFHSSSL-JOCHJYFZSA-N 2 0 412.622 3.647 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475346660 996081807 /nfs/dbraw/zinc/08/18/07/996081807.db2.gz OUMVWWLDBPDBMC-UHFFFAOYSA-N 2 0 424.555 3.723 20 0 HHADRP Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000483299497 996087172 /nfs/dbraw/zinc/08/71/72/996087172.db2.gz VULIGHYKMRYVRK-VQTJNVASSA-N 2 0 417.619 3.679 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483333422 996104362 /nfs/dbraw/zinc/10/43/62/996104362.db2.gz DJFCHHRCOQPSLV-UHFFFAOYSA-N 2 0 415.622 3.638 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705949 996339422 /nfs/dbraw/zinc/33/94/22/996339422.db2.gz DDIOXJQQPUQPKK-KAGYGMCKSA-N 2 0 404.599 3.592 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814922 996405650 /nfs/dbraw/zinc/40/56/50/996405650.db2.gz HCZXCNZOQYKJHE-QKLQHJQFSA-N 2 0 413.400 3.943 20 0 HHADRP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483982766 996505149 /nfs/dbraw/zinc/50/51/49/996505149.db2.gz VQUPAVWYHORLGT-XUZZJYLKSA-N 2 0 420.601 3.992 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000475982452 996513883 /nfs/dbraw/zinc/51/38/83/996513883.db2.gz IHGYPEROLJBYNW-QHCPKHFHSA-N 2 0 400.611 3.948 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475994513 996524379 /nfs/dbraw/zinc/52/43/79/996524379.db2.gz BTQHJQCXJZLUNN-UHFFFAOYSA-N 2 0 404.574 3.696 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024145 996528006 /nfs/dbraw/zinc/52/80/06/996528006.db2.gz IEBCPJZQHIZJIL-CTNGQTDRSA-N 2 0 404.574 3.554 20 0 HHADRP COc1ccc(Cl)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000484096530 996568068 /nfs/dbraw/zinc/56/80/68/996568068.db2.gz JHJAGABMBRJMMY-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484182043 996621458 /nfs/dbraw/zinc/62/14/58/996621458.db2.gz WPIDAQOZQFYVNU-CYBMUJFWSA-N 2 0 424.408 3.988 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000484273810 996672250 /nfs/dbraw/zinc/67/22/50/996672250.db2.gz CKUAVMUENCUOGP-OAHLLOKOSA-N 2 0 415.500 3.863 20 0 HHADRP CC(C)[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000484338902 996713344 /nfs/dbraw/zinc/71/33/44/996713344.db2.gz JMXLXNYPKBWHCH-OAQYLSRUSA-N 2 0 422.411 3.653 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000484467883 996787204 /nfs/dbraw/zinc/78/72/04/996787204.db2.gz AACVWISPTPPHMY-ICSRJNTNSA-N 2 0 413.562 3.574 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000484483944 996805124 /nfs/dbraw/zinc/80/51/24/996805124.db2.gz HKCIWVSOEXNDJA-KRWDZBQOSA-N 2 0 407.558 3.724 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710740 997252426 /nfs/dbraw/zinc/25/24/26/997252426.db2.gz VVYMZARWMLOGEL-ICSRJNTNSA-N 2 0 400.592 3.705 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccsc1 ZINC000476728043 997277875 /nfs/dbraw/zinc/27/78/75/997277875.db2.gz PICAGXRFOOPEOY-NHCUHLMSSA-N 2 0 400.592 3.561 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011409 997644326 /nfs/dbraw/zinc/64/43/26/997644326.db2.gz YFNINTOIJUYDQH-GHTZIAJQSA-N 2 0 403.929 3.964 20 0 HHADRP C[C@@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000477069422 997717816 /nfs/dbraw/zinc/71/78/16/997717816.db2.gz QVTQVPBVKFZCAZ-QFIPXVFZSA-N 2 0 417.597 3.948 20 0 HHADRP C[NH+]1CCC[C@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@H]5[C@H](CCC[N@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336068 997752328 /nfs/dbraw/zinc/75/23/28/997752328.db2.gz IDFOOGRQCOZFHU-FATVKVNYSA-N 4 0 410.650 3.519 20 0 HHADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000477120191 997775547 /nfs/dbraw/zinc/77/55/47/997775547.db2.gz CKKIXXACKKTJPE-LNLFQRSKSA-N 2 0 411.594 3.632 20 0 HHADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000485407077 997839306 /nfs/dbraw/zinc/83/93/06/997839306.db2.gz MKNHKLQSQGHJNQ-UHFFFAOYSA-N 2 0 413.484 3.611 20 0 HHADRP Fc1ccc(-n2cc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000477224640 997898667 /nfs/dbraw/zinc/89/86/67/997898667.db2.gz ZRQPCFSNBNPIKO-UHFFFAOYSA-N 2 0 421.564 3.699 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000477251382 997926812 /nfs/dbraw/zinc/92/68/12/997926812.db2.gz PNOIVEQRWRXYQU-DIMPSALBSA-N 2 0 410.606 3.842 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485486403 997939115 /nfs/dbraw/zinc/93/91/15/997939115.db2.gz CKAHXRPJYZHPIA-RPWUZVMVSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477440115 998138647 /nfs/dbraw/zinc/13/86/47/998138647.db2.gz QSVJWCFGBIOTNI-OXQOHEQNSA-N 2 0 416.006 3.663 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965946 998406369 /nfs/dbraw/zinc/40/63/69/998406369.db2.gz IIXFJYRMWRPNPJ-MSOLQXFVSA-N 2 0 417.541 3.642 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000486217883 998654556 /nfs/dbraw/zinc/65/45/56/998654556.db2.gz BSDHBSDBIIMIIW-GOTSBHOMSA-N 2 0 400.611 3.934 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000477918041 998656914 /nfs/dbraw/zinc/65/69/14/998656914.db2.gz OWABXEOKHRBODB-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486315813 998709131 /nfs/dbraw/zinc/70/91/31/998709131.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 2 0 420.601 3.861 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000478185956 998810463 /nfs/dbraw/zinc/81/04/63/998810463.db2.gz XGOHUGWTABUJGR-HZPDHXFCSA-N 2 0 406.368 3.976 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478415113 998946067 /nfs/dbraw/zinc/94/60/67/998946067.db2.gz JIOHSCMSPWVPBP-PMACEKPBSA-N 2 0 400.611 3.564 20 0 HHADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CCSC3)CC2)c1 ZINC000486963317 999020124 /nfs/dbraw/zinc/02/01/24/999020124.db2.gz FQCALQLXPDRHBN-KRWDZBQOSA-N 2 0 401.542 3.950 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024710 999039931 /nfs/dbraw/zinc/03/99/31/999039931.db2.gz ADNAMLYLFKREKD-ZTCOLXNVSA-N 2 0 408.590 3.808 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000478795363 999144669 /nfs/dbraw/zinc/14/46/69/999144669.db2.gz IRIURCVWDLCEAQ-JOCHJYFZSA-N 2 0 400.542 3.768 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000479053851 999270066 /nfs/dbraw/zinc/27/00/66/999270066.db2.gz COTLVHHXYRHBLW-SFHVURJKSA-N 2 0 403.592 3.642 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CC2 ZINC000479059709 999273467 /nfs/dbraw/zinc/27/34/67/999273467.db2.gz LLQQVYBJTJOSHC-IIBYNOLFSA-N 2 0 413.537 3.933 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CC2 ZINC000479059705 999273617 /nfs/dbraw/zinc/27/36/17/999273617.db2.gz LLQQVYBJTJOSHC-HRAATJIYSA-N 2 0 413.537 3.933 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](C)C ZINC000487759255 999279492 /nfs/dbraw/zinc/27/94/92/999279492.db2.gz YXHDBIWDVGHJRV-CVDCTZTESA-N 2 0 400.611 3.940 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000487888780 999305400 /nfs/dbraw/zinc/30/54/00/999305400.db2.gz NLZKTPLQZZYDQH-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP COc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1Cl ZINC000487978954 999334941 /nfs/dbraw/zinc/33/49/41/999334941.db2.gz NJBFVMDCVTTZEZ-UHFFFAOYSA-N 2 0 407.986 3.553 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000479267660 999356071 /nfs/dbraw/zinc/35/60/71/999356071.db2.gz WKFQJYLYHQATAD-INIZCTEOSA-N 2 0 424.427 3.596 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479281995 999363523 /nfs/dbraw/zinc/36/35/23/999363523.db2.gz KGQXVNTXWDSZBB-QMMLZNLJSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479282000 999363564 /nfs/dbraw/zinc/36/35/64/999363564.db2.gz KGQXVNTXWDSZBB-UIFIKXQLSA-N 2 0 404.986 3.745 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479289171 999367398 /nfs/dbraw/zinc/36/73/98/999367398.db2.gz VZJPNRIEHMDEEH-UTKZUKDTSA-N 2 0 402.380 3.764 20 0 HHADRP CN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000479314318 999380124 /nfs/dbraw/zinc/38/01/24/999380124.db2.gz VMZKMUQUUSREIN-JGUMPVPUSA-N 2 0 404.986 3.744 20 0 HHADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000479360426 999403462 /nfs/dbraw/zinc/40/34/62/999403462.db2.gz PIFQDELSVYKHSH-QHCPKHFHSA-N 2 0 409.574 3.883 20 0 HHADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444522 999420312 /nfs/dbraw/zinc/42/03/12/999420312.db2.gz IWGQFRLOIUTYRB-ZJSXRUAMSA-N 2 0 405.546 3.530 20 0 HHADRP Cc1cc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544260 999469800 /nfs/dbraw/zinc/46/98/00/999469800.db2.gz MVKJSTHWBWWRSY-NRFANRHFSA-N 2 0 404.558 3.772 20 0 HHADRP COc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000479561114 999478198 /nfs/dbraw/zinc/47/81/98/999478198.db2.gz WLOPORMHFZNIAN-UHFFFAOYSA-N 2 0 419.363 3.704 20 0 HHADRP c1csc([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557000 /nfs/dbraw/zinc/55/70/00/999557000.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 2 0 406.621 3.675 20 0 HHADRP c1csc([C@@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@@H](c4nccs4)C3)C2)n1 ZINC000488646910 999557019 /nfs/dbraw/zinc/55/70/19/999557019.db2.gz QOSSYYZEFKLDCS-QZTJIDSGSA-N 2 0 406.621 3.675 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)cc2)CC1 ZINC000479930350 999652862 /nfs/dbraw/zinc/65/28/62/999652862.db2.gz VSJFFMIOSSTFFY-UHFFFAOYSA-N 2 0 409.574 3.679 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000479969075 999668181 /nfs/dbraw/zinc/66/81/81/999668181.db2.gz RWSJJXGXSGBTPP-UHFFFAOYSA-N 2 0 423.601 3.805 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075198 999710361 /nfs/dbraw/zinc/71/03/61/999710361.db2.gz ZQXPIMOTGGFBKN-QGDZQMKYSA-N 2 0 423.601 3.569 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178964 999717071 /nfs/dbraw/zinc/71/70/71/999717071.db2.gz XXZABCMPISSDEJ-UTKZUKDTSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000489293354 999738963 /nfs/dbraw/zinc/73/89/63/999738963.db2.gz FZIFZVGYADWJPI-HYBUGGRVSA-N 2 0 400.611 3.803 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000480220754 999748988 /nfs/dbraw/zinc/74/89/88/999748988.db2.gz DNZBKFOWRAARPE-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000480239906 999753862 /nfs/dbraw/zinc/75/38/62/999753862.db2.gz GNSZAIYQVTXCER-AVJFOWIRSA-N 2 0 422.617 3.691 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000480268940 999760071 /nfs/dbraw/zinc/76/00/71/999760071.db2.gz VPVJWQZPIMPREK-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000489527549 999784626 /nfs/dbraw/zinc/78/46/26/999784626.db2.gz QIIYDAQOXPRLPG-MISYRCLQSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000489536887 999787194 /nfs/dbraw/zinc/78/71/94/999787194.db2.gz YHVUMHKYZJRRFR-DUXKGJEZSA-N 2 0 400.592 3.561 20 0 HHADRP C[C@H](O)[C@@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000480444331 999800501 /nfs/dbraw/zinc/80/05/01/999800501.db2.gz LRJSWCJQEFVMTQ-HFZDXXHNSA-N 2 0 409.618 3.936 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000480459988 999804176 /nfs/dbraw/zinc/80/41/76/999804176.db2.gz JKBPWFYKQSZKEZ-KRWDZBQOSA-N 2 0 404.576 3.791 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000480527974 999818927 /nfs/dbraw/zinc/81/89/27/999818927.db2.gz NRQZTGCNOOLOIN-MOPGFXCFSA-N 2 0 410.400 3.524 20 0 HHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000480534787 999820565 /nfs/dbraw/zinc/82/05/65/999820565.db2.gz GIANVEXNPVFWTO-ZDUSSCGKSA-N 2 0 407.452 3.566 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CCC3)cc1 ZINC000480536948 999821019 /nfs/dbraw/zinc/82/10/19/999821019.db2.gz ORPRNAQNOTXNCV-HXUWFJFHSA-N 2 0 414.619 3.812 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480554667 999825280 /nfs/dbraw/zinc/82/52/80/999825280.db2.gz OFALSKJZWXRBLD-IBGZPJMESA-N 2 0 402.583 3.942 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000480571225 999829305 /nfs/dbraw/zinc/82/93/05/999829305.db2.gz ZEHMFBOSANEBCN-HSZRJFAPSA-N 2 0 412.578 3.638 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773162 999835366 /nfs/dbraw/zinc/83/53/66/999835366.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 2 0 420.601 3.515 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480604062 999838689 /nfs/dbraw/zinc/83/86/89/999838689.db2.gz FLXNIJGPSPMAKF-APWZRJJASA-N 2 0 402.583 3.942 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000480608996 999839867 /nfs/dbraw/zinc/83/98/67/999839867.db2.gz IMBOPKNPNGRGIQ-MOPGFXCFSA-N 2 0 415.603 3.820 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822577 999844088 /nfs/dbraw/zinc/84/40/88/999844088.db2.gz BJSDFTISAIHZJH-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844107 999848170 /nfs/dbraw/zinc/84/81/70/999848170.db2.gz XMVIAPBHFLZBSQ-HYBUGGRVSA-N 2 0 424.589 3.796 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000489845945 999848392 /nfs/dbraw/zinc/84/83/92/999848392.db2.gz SRNITGDUDUODJL-HSZRJFAPSA-N 2 0 422.617 3.891 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000480690714 999860210 /nfs/dbraw/zinc/86/02/10/999860210.db2.gz AQFUBANDZBSSBS-SFHVURJKSA-N 2 0 415.553 3.831 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000480691370 999860463 /nfs/dbraw/zinc/86/04/63/999860463.db2.gz CDSSCXHTBURBBA-UNMCSNQZSA-N 2 0 412.553 3.797 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000480711755 999865489 /nfs/dbraw/zinc/86/54/89/999865489.db2.gz HYAUQMGVOBLJSW-NRFANRHFSA-N 2 0 420.601 3.802 20 0 HHADRP Cn1cc([C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119165 999895651 /nfs/dbraw/zinc/89/56/51/999895651.db2.gz NGAZQMQTIVAXSO-RPBOFIJWSA-N 2 0 421.564 3.617 20 0 HHADRP Cn1cc([C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000490119160 999895710 /nfs/dbraw/zinc/89/57/10/999895710.db2.gz NGAZQMQTIVAXSO-DQEYMECFSA-N 2 0 421.564 3.617 20 0 HHADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490992452 1000031319 /nfs/dbraw/zinc/03/13/19/1000031319.db2.gz VXRBZEHVLHURID-OFNKIYASSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490994223 1000031532 /nfs/dbraw/zinc/03/15/32/1000031532.db2.gz KHIYDNPWJGEBFW-BWKNWUBXSA-N 2 0 409.574 3.816 20 0 HHADRP Brc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000491237077 1000057706 /nfs/dbraw/zinc/05/77/06/1000057706.db2.gz AUVURTFLNMEJPT-UHFFFAOYSA-N 2 0 418.379 3.932 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491344113 1000066801 /nfs/dbraw/zinc/06/68/01/1000066801.db2.gz WPMDEYMTDICWRT-OAQYLSRUSA-N 2 0 420.370 3.905 20 0 HHADRP CCC[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491376921 1000069755 /nfs/dbraw/zinc/06/97/55/1000069755.db2.gz SKNGBEWUPWXMND-JOCHJYFZSA-N 2 0 424.593 3.668 20 0 HHADRP COc1ccccc1-c1ncc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000491389132 1000070643 /nfs/dbraw/zinc/07/06/43/1000070643.db2.gz LYFCCFBMVFLYRY-UHFFFAOYSA-N 2 0 418.541 3.915 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000491973896 1000102627 /nfs/dbraw/zinc/10/26/27/1000102627.db2.gz ACHKPSRDOHDEKI-IBGZPJMESA-N 2 0 418.545 3.880 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492296703 1000120397 /nfs/dbraw/zinc/12/03/97/1000120397.db2.gz YSYRWBJAVJSZBJ-IBGZPJMESA-N 2 0 413.993 3.984 20 0 HHADRP Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000492294624 1000120456 /nfs/dbraw/zinc/12/04/56/1000120456.db2.gz SDQPXFDLMRAECH-XMMPIXPASA-N 2 0 423.605 3.941 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492376906 1000124274 /nfs/dbraw/zinc/12/42/74/1000124274.db2.gz PJZLNNLADQEQSQ-CUWPLCDZSA-N 2 0 422.491 3.945 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)C ZINC000492515519 1000130454 /nfs/dbraw/zinc/13/04/54/1000130454.db2.gz NYFFMPQZMVMJKG-RSEQLOHWSA-N 2 0 422.617 3.850 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1)C1CCOCC1 ZINC000493823944 1000196184 /nfs/dbraw/zinc/19/61/84/1000196184.db2.gz SDFSSELVOKXNLY-JOCHJYFZSA-N 2 0 410.558 3.660 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Br)cs1 ZINC000493925160 1000217406 /nfs/dbraw/zinc/21/74/06/1000217406.db2.gz KCZDNLAJOYLWEO-HNNXBMFYSA-N 2 0 424.412 3.554 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493969297 1000243721 /nfs/dbraw/zinc/24/37/21/1000243721.db2.gz NPRWYCBYNQDIEN-UHFFFAOYSA-N 2 0 403.636 3.962 20 0 HHADRP COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521327 1000248787 /nfs/dbraw/zinc/24/87/87/1000248787.db2.gz KPTLFXOSCOPRTF-OFNKIYASSA-N 2 0 421.585 3.654 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H](C(F)(F)F)C1 ZINC000493979580 1000250428 /nfs/dbraw/zinc/25/04/28/1000250428.db2.gz DTSUXYRHKYAYAV-QZTJIDSGSA-N 2 0 403.533 3.666 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883677 1000426321 /nfs/dbraw/zinc/42/63/21/1000426321.db2.gz WBTZRJIFCWMAQG-ZEQRLZLVSA-N 2 0 406.574 3.787 20 0 HHADRP Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000494592691 1000567360 /nfs/dbraw/zinc/56/73/60/1000567360.db2.gz AFTIXYCIEHSHTO-GOSISDBHSA-N 2 0 404.352 3.870 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505135565 1000569142 /nfs/dbraw/zinc/56/91/42/1000569142.db2.gz JZUWHVISEITUCC-UXHICEINSA-N 2 0 417.500 3.690 20 0 HHADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000494871848 1000706650 /nfs/dbraw/zinc/70/66/50/1000706650.db2.gz DAWAUHPNAQQSDB-RDGATRHJSA-N 2 0 411.565 3.701 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924949 1000732749 /nfs/dbraw/zinc/73/27/49/1000732749.db2.gz RQWMPPKMYDCUMF-QFIPXVFZSA-N 2 0 422.617 3.637 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505386046 1000741163 /nfs/dbraw/zinc/74/11/63/1000741163.db2.gz GAFKLCHWINUQMJ-YADARESESA-N 2 0 424.589 3.650 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000495260880 1000942066 /nfs/dbraw/zinc/94/20/66/1000942066.db2.gz SSRCQKYKTMOJKU-GOTSBHOMSA-N 2 0 400.998 3.880 20 0 HHADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000506017604 1001166042 /nfs/dbraw/zinc/16/60/42/1001166042.db2.gz NOSMRQIGRRBDSU-GOSISDBHSA-N 2 0 414.550 3.631 20 0 HHADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000506047025 1001189536 /nfs/dbraw/zinc/18/95/36/1001189536.db2.gz GJADEYCTPLBGSO-NRFANRHFSA-N 2 0 401.595 3.763 20 0 HHADRP c1cncc(COc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2)c1 ZINC000506055455 1001195345 /nfs/dbraw/zinc/19/53/45/1001195345.db2.gz DREZLTBRLWQHFI-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000496687575 1001214151 /nfs/dbraw/zinc/21/41/51/1001214151.db2.gz AOGKVBCLGYGIOR-UHFFFAOYSA-N 2 0 423.601 3.531 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(=O)NCc1ccccc1 ZINC000497274586 1001285976 /nfs/dbraw/zinc/28/59/76/1001285976.db2.gz FJFGJLNLKWVLQB-HXUWFJFHSA-N 2 0 422.573 3.567 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446154 1001370064 /nfs/dbraw/zinc/37/00/64/1001370064.db2.gz SCQKNKJMBXERQB-UWJYYQICSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497561389 1001435868 /nfs/dbraw/zinc/43/58/68/1001435868.db2.gz FQNAREOXYVICOF-NRFANRHFSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451439 /nfs/dbraw/zinc/45/14/39/1001451439.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 2 0 407.549 3.772 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594713 1001451626 /nfs/dbraw/zinc/45/16/26/1001451626.db2.gz CNBMSAJGYYORPF-XLIONFOSSA-N 2 0 424.511 3.578 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[NH+](C)C)cc1 ZINC000506621465 1001473875 /nfs/dbraw/zinc/47/38/75/1001473875.db2.gz RPMPCQHXDMOPLX-XJUOHMSHSA-N 2 0 400.611 3.894 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000506866266 1001572316 /nfs/dbraw/zinc/57/23/16/1001572316.db2.gz WDLHDNRFGLXDNP-HKBOAZHASA-N 2 0 402.583 3.713 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934163 1001601543 /nfs/dbraw/zinc/60/15/43/1001601543.db2.gz OIAKFMGUTURZTL-LEWJYISDSA-N 2 0 422.683 3.644 20 0 HHADRP CCC1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276146 1001749970 /nfs/dbraw/zinc/74/99/70/1001749970.db2.gz NAPKLCJORBQCAU-XZOQPEGZSA-N 2 0 412.622 3.805 20 0 HHADRP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000507012371 1001763694 /nfs/dbraw/zinc/76/36/94/1001763694.db2.gz JNJYUVICXFLJCZ-FPOVZHCZSA-N 2 0 415.578 3.679 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498353383 1001790769 /nfs/dbraw/zinc/79/07/69/1001790769.db2.gz ITTSBAJZHMYFCX-QFIPXVFZSA-N 2 0 404.574 3.677 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000498510862 1001933880 /nfs/dbraw/zinc/93/38/80/1001933880.db2.gz MSBAWQGHTDGHOQ-JOCHJYFZSA-N 2 0 415.622 3.991 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000498616863 1002017288 /nfs/dbraw/zinc/01/72/88/1002017288.db2.gz JUJQAHCMUPYCCH-VWNXMTODSA-N 2 0 421.585 3.861 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507359963 1002022048 /nfs/dbraw/zinc/02/20/48/1002022048.db2.gz MDOVBSNPFJEZFK-GMAHTHKFSA-N 2 0 408.590 3.521 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694772 1002081492 /nfs/dbraw/zinc/08/14/92/1002081492.db2.gz MUJJAMOIVZRVSW-RCZVLFRGSA-N 2 0 422.617 3.979 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706346 1002090197 /nfs/dbraw/zinc/09/01/97/1002090197.db2.gz FYAOSHLRGVIBLD-IRLDBZIGSA-N 2 0 424.589 3.796 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000507601862 1002208483 /nfs/dbraw/zinc/20/84/83/1002208483.db2.gz AQHBMDBURYNSAF-DYESRHJHSA-N 2 0 423.536 3.690 20 0 HHADRP COc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)ccc1SC ZINC000507896951 1002430624 /nfs/dbraw/zinc/43/06/24/1002430624.db2.gz QZZKRIYDDYLMTF-UHFFFAOYSA-N 2 0 419.635 3.621 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499110638 1002500969 /nfs/dbraw/zinc/50/09/69/1002500969.db2.gz KYKGULWNXYFIJK-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000499112099 1002501644 /nfs/dbraw/zinc/50/16/44/1002501644.db2.gz NWOSUVKYAZXSPZ-SHBJFUFKSA-N 2 0 408.590 3.888 20 0 HHADRP Fc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148775 1002531816 /nfs/dbraw/zinc/53/18/16/1002531816.db2.gz DQLPMQSPMMYTNI-ITHGVDGZSA-N 2 0 422.592 3.733 20 0 HHADRP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155014 1002538615 /nfs/dbraw/zinc/53/86/15/1002538615.db2.gz GGXINKXOSITPMG-FXSWLTOZSA-N 2 0 405.586 3.673 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000508060387 1002581524 /nfs/dbraw/zinc/58/15/24/1002581524.db2.gz UGIRFFBBEVSMTA-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000508131869 1002663883 /nfs/dbraw/zinc/66/38/83/1002663883.db2.gz LLDLBCFDANQZFM-WOJBJXKFSA-N 2 0 400.611 3.648 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000508251721 1002773173 /nfs/dbraw/zinc/77/31/73/1002773173.db2.gz OGFFWBVTEMGMDK-VQIMIIECSA-N 2 0 410.965 3.503 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000499510526 1002899838 /nfs/dbraw/zinc/89/98/38/1002899838.db2.gz WIEHDEBPRCBTPO-LJQANCHMSA-N 2 0 400.592 3.607 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692827 1003131094 /nfs/dbraw/zinc/13/10/94/1003131094.db2.gz BENOKFZMKMMGHK-FPOVZHCZSA-N 2 0 409.549 3.931 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693801 1003131824 /nfs/dbraw/zinc/13/18/24/1003131824.db2.gz BQCJMVUHQCBEKW-OFVILXPXSA-N 2 0 401.554 3.897 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713097 1003152017 /nfs/dbraw/zinc/15/20/17/1003152017.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 2 0 411.590 3.807 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722348 1003162831 /nfs/dbraw/zinc/16/28/31/1003162831.db2.gz SCBSUDPQPJYUAW-VDKIKQQVSA-N 2 0 406.618 3.697 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508853328 1003273538 /nfs/dbraw/zinc/27/35/38/1003273538.db2.gz QUWOPQQSLKVYCV-CVDCTZTESA-N 2 0 409.578 3.560 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966939 1003286411 /nfs/dbraw/zinc/28/64/11/1003286411.db2.gz DMTWLZSHDDWSCM-ILBGXUMGSA-N 2 0 412.622 3.662 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868864 1003289662 /nfs/dbraw/zinc/28/96/62/1003289662.db2.gz WHLUKCHCCLLDGP-OHCFRWENSA-N 2 0 423.605 3.716 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877430 1003297885 /nfs/dbraw/zinc/29/78/85/1003297885.db2.gz YCOIRVSQXQLEBC-CVDCTZTESA-N 2 0 409.578 3.641 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000508883028 1003305735 /nfs/dbraw/zinc/30/57/35/1003305735.db2.gz SPGCWUJHVWHBHJ-PGRDOPGGSA-N 2 0 400.542 3.590 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508882769 1003306633 /nfs/dbraw/zinc/30/66/33/1003306633.db2.gz RDCYLCFTEBGECK-AVRDEDQJSA-N 2 0 400.542 3.590 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499996273 1003314660 /nfs/dbraw/zinc/31/46/60/1003314660.db2.gz BFAQWEJJQQIYRK-LJQANCHMSA-N 2 0 406.619 3.542 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000508889851 1003318227 /nfs/dbraw/zinc/31/82/27/1003318227.db2.gz NQJVHPWIPIOYKY-UHFFFAOYSA-N 2 0 402.627 3.887 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508899035 1003331068 /nfs/dbraw/zinc/33/10/68/1003331068.db2.gz SIEVQNJLFGRFLR-HTAPYJJXSA-N 2 0 418.532 3.729 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899236 1003332430 /nfs/dbraw/zinc/33/24/30/1003332430.db2.gz SZNXJERRRNROKK-RBBKRZOGSA-N 2 0 419.491 3.860 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000500100891 1003463312 /nfs/dbraw/zinc/46/33/12/1003463312.db2.gz VYPANSMQMXYPIY-DEOSSOPVSA-N 2 0 406.574 3.919 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500102533 1003464002 /nfs/dbraw/zinc/46/40/02/1003464002.db2.gz DGPASKKQQWESMF-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[NH+](C)C)cc1 ZINC000500131216 1003491797 /nfs/dbraw/zinc/49/17/97/1003491797.db2.gz HOZSCSJCSRCUQF-DEOSSOPVSA-N 2 0 408.590 3.947 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Br)cc1)N1CC[NH+](C)CC1 ZINC000509475125 1003888845 /nfs/dbraw/zinc/88/88/45/1003888845.db2.gz GTKZNXGQWOYXMI-KRWDZBQOSA-N 2 0 402.380 3.842 20 0 HHADRP Cn1cc(-c2ccc(C[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)s2)cn1 ZINC000509484596 1003895448 /nfs/dbraw/zinc/89/54/48/1003895448.db2.gz DOSMMCVASHEVGF-UHFFFAOYSA-N 2 0 410.587 3.956 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719440 1003919206 /nfs/dbraw/zinc/91/92/06/1003919206.db2.gz ZOCIKFPLSAABAN-NZQKXSOJSA-N 2 0 421.589 3.775 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000509533257 1003928130 /nfs/dbraw/zinc/92/81/30/1003928130.db2.gz PRAKWPQDOZFYQX-UHFFFAOYSA-N 2 0 402.380 3.843 20 0 HHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(I)s2)CC1 ZINC000512006750 1003948840 /nfs/dbraw/zinc/94/88/40/1003948840.db2.gz HVDZMUWYNFRDOU-UHFFFAOYSA-N 2 0 407.365 3.595 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500822776 1003981989 /nfs/dbraw/zinc/98/19/89/1003981989.db2.gz QWIGIYJVPHHUBC-UHFFFAOYSA-N 2 0 423.605 3.980 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)[NH+]1CCCCCC1 ZINC000509680531 1004025732 /nfs/dbraw/zinc/02/57/32/1004025732.db2.gz OPOLVJNLYNMVIM-INIZCTEOSA-N 2 0 412.500 3.660 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512150838 1004059694 /nfs/dbraw/zinc/05/96/94/1004059694.db2.gz WORDMKFJAYFDGV-DDOAZUFRSA-N 2 0 410.650 3.804 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000509744629 1004067202 /nfs/dbraw/zinc/06/72/02/1004067202.db2.gz GMGRYIRLKAETSB-HYBUGGRVSA-N 2 0 408.590 3.848 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175192 1004077118 /nfs/dbraw/zinc/07/71/18/1004077118.db2.gz KOBAGEUVOZUAIG-FCHUYYIVSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501033216 1004136620 /nfs/dbraw/zinc/13/66/20/1004136620.db2.gz RPCZZHUKHNOXOQ-SFHVURJKSA-N 2 0 424.372 3.977 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000501052209 1004154415 /nfs/dbraw/zinc/15/44/15/1004154415.db2.gz OAHDJYLDFGTWRF-OAQYLSRUSA-N 2 0 404.986 3.747 20 0 HHADRP C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062258 1004164628 /nfs/dbraw/zinc/16/46/28/1004164628.db2.gz IIIMIRFXJAOVMZ-UHFFFAOYSA-N 2 0 418.541 3.953 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000501068163 1004170367 /nfs/dbraw/zinc/17/03/67/1004170367.db2.gz DYYWHCKMQILQTD-UHFFFAOYSA-N 2 0 401.599 3.596 20 0 HHADRP C[N@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067981 1004170492 /nfs/dbraw/zinc/17/04/92/1004170492.db2.gz JLQFNBRKNRXSIE-NOZRDPDXSA-N 2 0 409.574 3.685 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000501070468 1004173575 /nfs/dbraw/zinc/17/35/75/1004173575.db2.gz DLGLORQXJOMCRS-REWPJTCUSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000501070467 1004173699 /nfs/dbraw/zinc/17/36/99/1004173699.db2.gz DLGLORQXJOMCRS-OFNKIYASSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000501085168 1004190844 /nfs/dbraw/zinc/19/08/44/1004190844.db2.gz MSTXZUBIYPAQBM-FPOVZHCZSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+](Cc1cc2c(cc1Br)OCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085812 1004190890 /nfs/dbraw/zinc/19/08/90/1004190890.db2.gz IHUPVYHEMGPFQN-UHFFFAOYSA-N 2 0 418.335 3.921 20 0 HHADRP C[N@@H+](CC(=O)NCCCSc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501089343 1004195537 /nfs/dbraw/zinc/19/55/37/1004195537.db2.gz QAIZYWXEGRUKQL-UHFFFAOYSA-N 2 0 412.603 3.528 20 0 HHADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501112115 1004212695 /nfs/dbraw/zinc/21/26/95/1004212695.db2.gz YKCOBOKMACEKPN-QHCPKHFHSA-N 2 0 417.638 3.907 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318213 1004213375 /nfs/dbraw/zinc/21/33/75/1004213375.db2.gz LWGIFKQRFKQVNC-RCCFBDPRSA-N 2 0 403.567 3.664 20 0 HHADRP COc1cc(CCC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc(OC)c1 ZINC000501130718 1004223239 /nfs/dbraw/zinc/22/32/39/1004223239.db2.gz DJKVBHUCTXXPNI-UHFFFAOYSA-N 2 0 417.638 3.765 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402959 1004273074 /nfs/dbraw/zinc/27/30/74/1004273074.db2.gz BCDUYDFVQKISHX-JVSAHFFESA-N 2 0 400.611 3.659 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000512429939 1004296651 /nfs/dbraw/zinc/29/66/51/1004296651.db2.gz KTSZKRBHUJYQAO-JVSAHFFESA-N 2 0 400.611 3.801 20 0 HHADRP Cc1nc(COc2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2)cs1 ZINC000512443639 1004305815 /nfs/dbraw/zinc/30/58/15/1004305815.db2.gz FLLVLBQWQKATQW-UHFFFAOYSA-N 2 0 415.603 3.965 20 0 HHADRP Fc1ccc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481758 1004334281 /nfs/dbraw/zinc/33/42/81/1004334281.db2.gz XZDMKPNXQVMVJS-JOCHJYFZSA-N 2 0 404.533 3.766 20 0 HHADRP CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376573 1004376295 /nfs/dbraw/zinc/37/62/95/1004376295.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 2 0 400.611 3.777 20 0 HHADRP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401990 1004393956 /nfs/dbraw/zinc/39/39/56/1004393956.db2.gz GTWPZCPIOAISMM-AVCGJXAMSA-N 2 0 412.553 3.638 20 0 HHADRP CC1(C)CC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000510227237 1004408509 /nfs/dbraw/zinc/40/85/09/1004408509.db2.gz HEPOUIHARCEFLG-UHFFFAOYSA-N 2 0 400.611 3.646 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)(N2CCCCC2)CC1 ZINC000512662577 1004472803 /nfs/dbraw/zinc/47/28/03/1004472803.db2.gz YPOKUVOUKHJUAF-TWJOJJKGSA-N 3 0 424.677 3.827 20 0 HHADRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)Cc2ccccc21 ZINC000512676994 1004485534 /nfs/dbraw/zinc/48/55/34/1004485534.db2.gz GJESIHNPJCMBNS-XMMPIXPASA-N 2 0 421.585 3.880 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512698709 1004502825 /nfs/dbraw/zinc/50/28/25/1004502825.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000510378594 1004521915 /nfs/dbraw/zinc/52/19/15/1004521915.db2.gz OXEKBXYCPNGCHW-VWLOTQADSA-N 2 0 422.617 3.511 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000510388368 1004528796 /nfs/dbraw/zinc/52/87/96/1004528796.db2.gz GHSBEWHZQDYQBB-FCHUYYIVSA-N 2 0 410.562 3.861 20 0 HHADRP c1nn([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448125 1004573496 /nfs/dbraw/zinc/57/34/96/1004573496.db2.gz ZNICQQPPKLWBGO-GOTSBHOMSA-N 2 0 414.557 3.970 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000510460263 1004581450 /nfs/dbraw/zinc/58/14/50/1004581450.db2.gz KHCFOMXFZRNAQF-JOCHJYFZSA-N 2 0 410.562 3.642 20 0 HHADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510488127 1004604619 /nfs/dbraw/zinc/60/46/19/1004604619.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 2 0 412.622 3.776 20 0 HHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 ZINC000512844926 1004606011 /nfs/dbraw/zinc/60/60/11/1004606011.db2.gz JDUFWACVMFXYET-IBGZPJMESA-N 2 0 420.557 3.988 20 0 HHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 ZINC000512844927 1004606888 /nfs/dbraw/zinc/60/68/88/1004606888.db2.gz JDUFWACVMFXYET-LJQANCHMSA-N 2 0 420.557 3.988 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552042 1004689204 /nfs/dbraw/zinc/68/92/04/1004689204.db2.gz VEIGZQZWRGCADX-HYBUGGRVSA-N 2 0 408.590 3.558 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000501763169 1004698781 /nfs/dbraw/zinc/69/87/81/1004698781.db2.gz AILONHOEXBFCLI-LJQANCHMSA-N 2 0 412.578 3.632 20 0 HHADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501790803 1004733827 /nfs/dbraw/zinc/73/38/27/1004733827.db2.gz OTXBLXRUUZYHQS-QGZVFWFLSA-N 2 0 424.427 3.850 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000501809163 1004749916 /nfs/dbraw/zinc/74/99/16/1004749916.db2.gz HUXPHGWBCCUSOH-RUZDIDTESA-N 2 0 405.586 3.783 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000501868341 1004786565 /nfs/dbraw/zinc/78/65/65/1004786565.db2.gz DZMFYQMBFHKKLS-AWWSKVOZSA-N 2 0 400.611 3.938 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510680876 1004796134 /nfs/dbraw/zinc/79/61/34/1004796134.db2.gz JLBPIHZPDCOABK-IBGZPJMESA-N 2 0 422.411 3.653 20 0 HHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000510731091 1004821831 /nfs/dbraw/zinc/82/18/31/1004821831.db2.gz FJZDAIDXBVQNSK-GOSISDBHSA-N 2 0 415.528 3.901 20 0 HHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000513326753 1004913669 /nfs/dbraw/zinc/91/36/69/1004913669.db2.gz WLZXAKARQIIZKX-UHFFFAOYSA-N 2 0 408.590 3.711 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000513334281 1004916168 /nfs/dbraw/zinc/91/61/68/1004916168.db2.gz GCQFGLREJGOICC-LJQANCHMSA-N 2 0 401.595 3.917 20 0 HHADRP CN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000502147535 1004923431 /nfs/dbraw/zinc/92/34/31/1004923431.db2.gz KQGJYBGXAKQYTG-ZZJWQFMZSA-N 2 0 412.500 3.575 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397653 1004943200 /nfs/dbraw/zinc/94/32/00/1004943200.db2.gz MTDIWJOTHZXMKC-SFTDATJTSA-N 2 0 405.533 3.621 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000513449679 1004972056 /nfs/dbraw/zinc/97/20/56/1004972056.db2.gz ZKBQZKNQHFGMKK-DYESRHJHSA-N 2 0 401.348 3.793 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511253640 1005093552 /nfs/dbraw/zinc/09/35/52/1005093552.db2.gz WPGGXNAQJDFYEK-VQTJNVASSA-N 2 0 413.610 3.603 20 0 HHADRP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254131 1005094081 /nfs/dbraw/zinc/09/40/81/1005094081.db2.gz YHFHAUGTJIFTQE-JAXLGGSGSA-N 2 0 400.611 3.849 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[NH+](C)C)cc1 ZINC000502511514 1005097073 /nfs/dbraw/zinc/09/70/73/1005097073.db2.gz TWBRKKYPUAIMBI-XPPIMPSXSA-N 2 0 400.611 3.940 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266313 1005098081 /nfs/dbraw/zinc/09/80/81/1005098081.db2.gz DEQCDJNKJXRVJH-HKUYNNGSSA-N 2 0 422.564 3.691 20 0 HHADRP O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513816512 1005141208 /nfs/dbraw/zinc/14/12/08/1005141208.db2.gz PABGNHBOHIWBIW-JOCHJYFZSA-N 2 0 421.585 3.590 20 0 HHADRP C[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511541689 1005216451 /nfs/dbraw/zinc/21/64/51/1005216451.db2.gz TXJHOPWQUVTUMT-LOSJGSFVSA-N 2 0 420.601 3.686 20 0 HHADRP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502788678 1005217885 /nfs/dbraw/zinc/21/78/85/1005217885.db2.gz IIHCOWNWKYXQBU-RBKXMNCYSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021344 1005231335 /nfs/dbraw/zinc/23/13/35/1005231335.db2.gz YNFHSAUVHKIVIH-CEXWTWQISA-N 2 0 421.029 3.970 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000502843699 1005240826 /nfs/dbraw/zinc/24/08/26/1005240826.db2.gz JPRXXRPXNIPTDH-OFNKIYASSA-N 2 0 416.610 3.786 20 0 HHADRP CC(C)C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000514052186 1005244280 /nfs/dbraw/zinc/24/42/80/1005244280.db2.gz SODPTHJLWLCRAB-HSZRJFAPSA-N 2 0 409.578 3.680 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000502875121 1005253705 /nfs/dbraw/zinc/25/37/05/1005253705.db2.gz KSFYYLGXQMADPH-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)cn2)CC1 ZINC000514081892 1005257352 /nfs/dbraw/zinc/25/73/52/1005257352.db2.gz DPISKMMPKLMAQU-OAQYLSRUSA-N 2 0 420.479 3.973 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514108115 1005268972 /nfs/dbraw/zinc/26/89/72/1005268972.db2.gz VJQOGGHXZVOELL-GMAHTHKFSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270019 /nfs/dbraw/zinc/27/00/19/1005270019.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 2 0 400.611 3.879 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511678369 1005273033 /nfs/dbraw/zinc/27/30/33/1005273033.db2.gz ZGGQKOVSHIFNQO-AUSIDOKSSA-N 2 0 409.599 3.801 20 0 HHADRP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000503028536 1005320126 /nfs/dbraw/zinc/32/01/26/1005320126.db2.gz DINZFGHXRVQXLV-OAQYLSRUSA-N 2 0 408.590 3.813 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000514227273 1005321789 /nfs/dbraw/zinc/32/17/89/1005321789.db2.gz YRVZXENJCCEJKJ-QHCPKHFHSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000503059032 1005331409 /nfs/dbraw/zinc/33/14/09/1005331409.db2.gz MKBJLJPFIUZKHV-HXUWFJFHSA-N 2 0 400.611 3.803 20 0 HHADRP CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503159571 1005359386 /nfs/dbraw/zinc/35/93/86/1005359386.db2.gz YERQIDQXJMGRFZ-HSZRJFAPSA-N 2 0 412.553 3.734 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)cc1 ZINC000503349635 1005395553 /nfs/dbraw/zinc/39/55/53/1005395553.db2.gz WJZFASCUDPGJFX-GGAORHGYSA-N 2 0 400.611 3.895 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000503398556 1005408074 /nfs/dbraw/zinc/40/80/74/1005408074.db2.gz JXKBUGINOJADIT-JTHBVZDNSA-N 2 0 400.611 3.505 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503473395 1005431307 /nfs/dbraw/zinc/43/13/07/1005431307.db2.gz NWQUAAQIIYLLCH-ZCYQVOJMSA-N 2 0 420.601 3.687 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)c1 ZINC000503498214 1005437828 /nfs/dbraw/zinc/43/78/28/1005437828.db2.gz JMPHCAPVILOLFO-OFNKIYASSA-N 2 0 416.610 3.596 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)C2)CC1 ZINC000503501698 1005438724 /nfs/dbraw/zinc/43/87/24/1005438724.db2.gz HHDDCQSDKYVZPW-VXKWHMMOSA-N 2 0 416.610 3.960 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000503619563 1005466779 /nfs/dbraw/zinc/46/67/79/1005466779.db2.gz YELVJWVZQQVHHR-VWLOTQADSA-N 2 0 415.585 3.751 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000503765308 1005490729 /nfs/dbraw/zinc/49/07/29/1005490729.db2.gz OEQZNNQBNQTKHY-XMMPIXPASA-N 2 0 414.638 3.705 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N[C@H]1CCOc2ccccc21 ZINC000503888726 1005505368 /nfs/dbraw/zinc/50/53/68/1005505368.db2.gz BOWZYKSWYRSFEO-ONTLXTELSA-N 2 0 419.569 3.517 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000503888723 1005505429 /nfs/dbraw/zinc/50/54/29/1005505429.db2.gz BOWZYKSWYRSFEO-BUZMGHMJSA-N 2 0 419.569 3.517 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)CC1 ZINC000504429758 1005626812 /nfs/dbraw/zinc/62/68/12/1005626812.db2.gz WVZYXEMBBFJIKR-UHFFFAOYSA-N 2 0 423.605 3.587 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000514441861 1005992587 /nfs/dbraw/zinc/99/25/87/1005992587.db2.gz KXRCVEKMMFKKLY-HSZRJFAPSA-N 2 0 421.589 3.515 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000514441862 1005992700 /nfs/dbraw/zinc/99/27/00/1005992700.db2.gz KXRCVEKMMFKKLY-QHCPKHFHSA-N 2 0 421.589 3.515 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000531142314 1006015606 /nfs/dbraw/zinc/01/56/06/1006015606.db2.gz XAYAHOOHGZQEMN-UHFFFAOYSA-N 2 0 423.630 3.776 20 0 HHADRP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534058892 1006030526 /nfs/dbraw/zinc/03/05/26/1006030526.db2.gz HNISJTBLNNXRJR-HXUWFJFHSA-N 2 0 420.388 3.963 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531204102 1006044548 /nfs/dbraw/zinc/04/45/48/1006044548.db2.gz LYMJCNBNSHUTNN-NRFANRHFSA-N 2 0 406.574 3.729 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531227890 1006059190 /nfs/dbraw/zinc/05/91/90/1006059190.db2.gz IJYQMRVLSNMXQH-LQWHRVPQSA-N 2 0 404.986 3.745 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000514665272 1006074289 /nfs/dbraw/zinc/07/42/89/1006074289.db2.gz AZVGJLDVVMQVFL-QRWLVFNGSA-N 2 0 419.411 3.923 20 0 HHADRP CCC(CC)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000531300493 1006103328 /nfs/dbraw/zinc/10/33/28/1006103328.db2.gz WMBDFAXTRWYCOI-RLWLMLJZSA-N 2 0 423.601 3.649 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000531303134 1006104176 /nfs/dbraw/zinc/10/41/76/1006104176.db2.gz KQLMCWKIRNTPNO-GHTZIAJQSA-N 2 0 404.986 3.604 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000531362785 1006150867 /nfs/dbraw/zinc/15/08/67/1006150867.db2.gz UJDKMYFYMTWWDA-QGZVFWFLSA-N 2 0 408.525 3.604 20 0 HHADRP C[NH+]1CCN(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167343 /nfs/dbraw/zinc/16/73/43/1006167343.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 2 0 418.629 3.760 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534181447 1006168974 /nfs/dbraw/zinc/16/89/74/1006168974.db2.gz FOWCWPQJODMGAN-RPBOFIJWSA-N 2 0 423.601 3.531 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000514851161 1006170968 /nfs/dbraw/zinc/17/09/68/1006170968.db2.gz NWAJMHOHCPYYQV-KRWDZBQOSA-N 2 0 411.546 3.977 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205375 1006197370 /nfs/dbraw/zinc/19/73/70/1006197370.db2.gz ZUDMVVLGTMHECQ-MDYRTPRTSA-N 2 0 410.965 3.501 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207380 1006200714 /nfs/dbraw/zinc/20/07/14/1006200714.db2.gz XAJNVNCZLRBBQW-OXFYSEKESA-N 2 0 410.965 3.503 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000534244999 1006252164 /nfs/dbraw/zinc/25/21/64/1006252164.db2.gz ZFNRCYOFEUBNSD-UHFFFAOYSA-N 2 0 418.582 3.660 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(N3CCCCC3)nc2)CC1 ZINC000531531688 1006259719 /nfs/dbraw/zinc/25/97/19/1006259719.db2.gz DSPFEVKKZHCZKT-UHFFFAOYSA-N 2 0 407.606 3.894 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251451 1006259783 /nfs/dbraw/zinc/25/97/83/1006259783.db2.gz OXDIIVIGFVYYBF-NLEAXPPASA-N 2 0 422.976 3.598 20 0 HHADRP CN(c1ccccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531594501 1006292859 /nfs/dbraw/zinc/29/28/59/1006292859.db2.gz BJVWVCSTAJWCJY-DEOSSOPVSA-N 2 0 406.618 3.971 20 0 HHADRP CN(c1ccccc1C[NH2+]CCCC(=O)N1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000531594584 1006293910 /nfs/dbraw/zinc/29/39/10/1006293910.db2.gz SANXWJBUMVEYFD-UHFFFAOYSA-N 2 0 420.601 3.676 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000531643857 1006324488 /nfs/dbraw/zinc/32/44/88/1006324488.db2.gz JVVSIGVYIYJEHH-UHFFFAOYSA-N 2 0 403.464 3.513 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000531677279 1006349029 /nfs/dbraw/zinc/34/90/29/1006349029.db2.gz FJSJWWNYBOPTEK-GCJKJVERSA-N 3 0 409.603 3.882 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000531704348 1006366519 /nfs/dbraw/zinc/36/65/19/1006366519.db2.gz DRGDOSWUTNWWJM-PMACEKPBSA-N 2 0 418.601 3.799 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1sccc1Br ZINC000531708852 1006369608 /nfs/dbraw/zinc/36/96/08/1006369608.db2.gz JYBUSGMCQBQFSI-HNNXBMFYSA-N 2 0 409.397 3.769 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000515291109 1006379901 /nfs/dbraw/zinc/37/99/01/1006379901.db2.gz WPONNFLPLAILIC-DNQXCXABSA-N 2 0 424.589 3.824 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000531738868 1006389852 /nfs/dbraw/zinc/38/98/52/1006389852.db2.gz CLNBIIAZQBAOGW-QMMLZNLJSA-N 2 0 404.986 3.603 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000515518741 1006511257 /nfs/dbraw/zinc/51/12/57/1006511257.db2.gz MXIYZWXNLBCKLA-UXHICEINSA-N 2 0 409.574 3.722 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000515522485 1006513350 /nfs/dbraw/zinc/51/33/50/1006513350.db2.gz IVRXTJPRPFGXQI-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531940064 1006533735 /nfs/dbraw/zinc/53/37/35/1006533735.db2.gz VBVODXQEUACHHX-REWPJTCUSA-N 2 0 409.574 3.877 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(Br)c21 ZINC000532197475 1006713657 /nfs/dbraw/zinc/71/36/57/1006713657.db2.gz QTSOTYWKOGCVSB-HNAYVOBHSA-N 2 0 415.379 3.934 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(Br)c21 ZINC000532197474 1006714162 /nfs/dbraw/zinc/71/41/62/1006714162.db2.gz QTSOTYWKOGCVSB-DNVCBOLYSA-N 2 0 415.379 3.934 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210980 1006724261 /nfs/dbraw/zinc/72/42/61/1006724261.db2.gz QOIBDQBTDPILSM-OAQYLSRUSA-N 2 0 420.601 3.820 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)CC2)cc1 ZINC000532222047 1006731246 /nfs/dbraw/zinc/73/12/46/1006731246.db2.gz DWIKBCAXKMCPQY-UHFFFAOYSA-N 2 0 400.485 3.733 20 0 HHADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000538465484 1006735222 /nfs/dbraw/zinc/73/52/22/1006735222.db2.gz BFANDDGBZWXRGQ-HXUWFJFHSA-N 2 0 411.512 3.860 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000538492466 1006761055 /nfs/dbraw/zinc/76/10/55/1006761055.db2.gz PFKYJBUFWMNAQI-QFIPXVFZSA-N 2 0 408.590 3.596 20 0 HHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(N2CCOCC2)c1 ZINC000538587841 1006854861 /nfs/dbraw/zinc/85/48/61/1006854861.db2.gz IMOKQZUUJQYCLF-IBGZPJMESA-N 2 0 409.578 3.622 20 0 HHADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532409900 1006854784 /nfs/dbraw/zinc/85/47/84/1006854784.db2.gz HZBCTMLOIYNULZ-CEXWTWQISA-N 2 0 422.013 3.681 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000532450214 1006892506 /nfs/dbraw/zinc/89/25/06/1006892506.db2.gz DBZBRKHFOZYMTD-LJQANCHMSA-N 2 0 402.583 3.944 20 0 HHADRP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000532486498 1006926402 /nfs/dbraw/zinc/92/64/02/1006926402.db2.gz WFGYQLANWYNCNB-OAHLLOKOSA-N 2 0 401.624 3.605 20 0 HHADRP CC1(C)C[C@@H]([N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2)C(C)(C)O1 ZINC000538663782 1006942375 /nfs/dbraw/zinc/94/23/75/1006942375.db2.gz FIYDGVPKXWMKRT-JOCHJYFZSA-N 2 0 413.606 3.578 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504384 1006944208 /nfs/dbraw/zinc/94/42/08/1006944208.db2.gz WKXVSBIFNDSDSU-CVEARBPZSA-N 2 0 413.484 3.513 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1 ZINC000538724921 1007002854 /nfs/dbraw/zinc/00/28/54/1007002854.db2.gz JEDCBQABTZLRKD-UHFFFAOYSA-N 2 0 413.585 3.640 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963305 1007013006 /nfs/dbraw/zinc/01/30/06/1007013006.db2.gz YXZSTTQWPRUUBS-UZLBHIALSA-N 2 0 410.965 3.646 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC000538738792 1007020918 /nfs/dbraw/zinc/02/09/18/1007020918.db2.gz BZHAKEGGQIAZFR-UHFFFAOYSA-N 2 0 419.573 3.648 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333298 1007022974 /nfs/dbraw/zinc/02/29/74/1007022974.db2.gz PPNVWFLDAGEPAU-ISKFKSNPSA-N 2 0 424.589 3.502 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750843 1007035841 /nfs/dbraw/zinc/03/58/41/1007035841.db2.gz BQZOICIWMPMBAP-IBGZPJMESA-N 2 0 406.521 3.700 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534986181 1007045062 /nfs/dbraw/zinc/04/50/62/1007045062.db2.gz GWVDAQOGOBILMK-DBXWQHBBSA-N 2 0 422.976 3.742 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000535036059 1007074738 /nfs/dbraw/zinc/07/47/38/1007074738.db2.gz JRRNIIFFYPLTHX-SFTDATJTSA-N 2 0 406.574 3.728 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000538852731 1007127101 /nfs/dbraw/zinc/12/71/01/1007127101.db2.gz ANQYZFBLHXBROK-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000538917506 1007202472 /nfs/dbraw/zinc/20/24/72/1007202472.db2.gz ZRYJUHGHBXPOJA-FQEVSTJZSA-N 2 0 415.607 3.694 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[NH+]2CCCC2)cc1 ZINC000538980187 1007272875 /nfs/dbraw/zinc/27/28/75/1007272875.db2.gz FXHZAGPQSQGORK-XMMPIXPASA-N 2 0 421.589 3.743 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058978 1007352766 /nfs/dbraw/zinc/35/27/66/1007352766.db2.gz BABDVQJLRMRJEZ-XFEAKLGESA-N 2 0 417.500 3.528 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000539073639 1007365482 /nfs/dbraw/zinc/36/54/82/1007365482.db2.gz VKKIZXNDZBGONS-LJQANCHMSA-N 2 0 423.557 3.524 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084686 1007374021 /nfs/dbraw/zinc/37/40/21/1007374021.db2.gz QCKFRXJBLVKWEA-HRAATJIYSA-N 2 0 401.938 3.737 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000517094185 1007406704 /nfs/dbraw/zinc/40/67/04/1007406704.db2.gz MCVAJJGSDYOROA-UHFFFAOYSA-N 2 0 423.601 3.805 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000517149577 1007462165 /nfs/dbraw/zinc/46/21/65/1007462165.db2.gz OTTDFKOUNWHOOR-JOCHJYFZSA-N 2 0 416.610 3.567 20 0 HHADRP CC(C)[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163611 1007463836 /nfs/dbraw/zinc/46/38/36/1007463836.db2.gz SKHQCSLIBRBCOE-QHCPKHFHSA-N 2 0 408.546 3.638 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539218497 1007509787 /nfs/dbraw/zinc/50/97/87/1007509787.db2.gz WBSGAMWPLXDMGM-OAHLLOKOSA-N 2 0 420.001 3.504 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000539311880 1007611093 /nfs/dbraw/zinc/61/10/93/1007611093.db2.gz NHYCHROAZIDXKM-LJQANCHMSA-N 2 0 412.553 3.874 20 0 HHADRP CC[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315229 1007613645 /nfs/dbraw/zinc/61/36/45/1007613645.db2.gz UFTFQCOOHVBDKL-WVBUVRCRSA-N 2 0 401.501 3.785 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000535673686 1007695513 /nfs/dbraw/zinc/69/55/13/1007695513.db2.gz BNGGMMGEFGMEFR-JOCHJYFZSA-N 2 0 410.606 3.701 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@@H](C)C1 ZINC000539395519 1007700905 /nfs/dbraw/zinc/70/09/05/1007700905.db2.gz PPKBKGSKZDZQQH-PMVMPFDFSA-N 2 0 415.622 3.701 20 0 HHADRP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533409467 1007718309 /nfs/dbraw/zinc/71/83/09/1007718309.db2.gz YUXMACMPDFWAMR-QHCPKHFHSA-N 2 0 401.595 3.801 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517503862 1007725730 /nfs/dbraw/zinc/72/57/30/1007725730.db2.gz GPLZNNUZDRFDPE-FQEVSTJZSA-N 2 0 406.640 3.914 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517503863 1007726514 /nfs/dbraw/zinc/72/65/14/1007726514.db2.gz GPLZNNUZDRFDPE-HXUWFJFHSA-N 2 0 406.640 3.914 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535697536 1007733270 /nfs/dbraw/zinc/73/32/70/1007733270.db2.gz AUTRCQYKCCOTQS-LAUBAEHRSA-N 2 0 422.976 3.742 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699976 1007735567 /nfs/dbraw/zinc/73/55/67/1007735567.db2.gz KZZGCKVDMCPPHD-RXVVDRJESA-N 2 0 424.992 3.845 20 0 HHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000539431056 1007738642 /nfs/dbraw/zinc/73/86/42/1007738642.db2.gz XWICPAYVTXACLR-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000533445534 1007760267 /nfs/dbraw/zinc/76/02/67/1007760267.db2.gz HKVMCSDRVRGLHP-QFIPXVFZSA-N 2 0 403.574 3.602 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000517546988 1007762069 /nfs/dbraw/zinc/76/20/69/1007762069.db2.gz BHJBRAXDCPZPLD-UHFFFAOYSA-N 2 0 420.557 3.988 20 0 HHADRP Cc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)o2)cc1 ZINC000517548895 1007764891 /nfs/dbraw/zinc/76/48/91/1007764891.db2.gz NENQJWIBBROLEQ-UHFFFAOYSA-N 2 0 405.546 3.737 20 0 HHADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000539498516 1007810097 /nfs/dbraw/zinc/81/00/97/1007810097.db2.gz KILHDQXEKOXGEF-RTBURBONSA-N 2 0 400.380 3.901 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000535815225 1007826169 /nfs/dbraw/zinc/82/61/69/1007826169.db2.gz JMRYABNRBUJHKY-UHFFFAOYSA-N 2 0 412.578 3.801 20 0 HHADRP Cc1cc(C)n2c(C[NH2+]CCc3ccc(OCC[N@H+]4C[C@H](C)[C@H](C)C4)cc3)cnc2n1 ZINC000539553974 1007866856 /nfs/dbraw/zinc/86/68/56/1007866856.db2.gz MPBNQXJPTJTJAE-KDURUIRLSA-N 2 0 421.589 3.645 20 0 HHADRP C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517664997 1007878190 /nfs/dbraw/zinc/87/81/90/1007878190.db2.gz MSGAYGWMGXEJBD-NRFANRHFSA-N 2 0 423.601 3.586 20 0 HHADRP COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728031 1007934002 /nfs/dbraw/zinc/93/40/02/1007934002.db2.gz FSCONJUKENJUFU-ILBGXUMGSA-N 2 0 421.585 3.861 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000539627178 1007943834 /nfs/dbraw/zinc/94/38/34/1007943834.db2.gz MUYGDGFKVOJYTE-OFVILXPXSA-N 2 0 414.638 3.768 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651689 1007969764 /nfs/dbraw/zinc/96/97/64/1007969764.db2.gz RKSCIKTVOJFUOR-NBGIEHNGSA-N 2 0 408.590 3.608 20 0 HHADRP COc1ccc2cc([C@@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)ccc2c1 ZINC000539689614 1008009016 /nfs/dbraw/zinc/00/90/16/1008009016.db2.gz ODWWTVMQVBILBI-CLOONOSVSA-N 2 0 419.569 3.788 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](c4nccn4C)C3)cc2)C1 ZINC000533768220 1008093620 /nfs/dbraw/zinc/09/36/20/1008093620.db2.gz SGFUWHMSBURWRK-KNKQGSTJSA-N 2 0 409.578 3.597 20 0 HHADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000518011054 1008101694 /nfs/dbraw/zinc/10/16/94/1008101694.db2.gz AAKGVXHZCQXQEP-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518015917 1008105088 /nfs/dbraw/zinc/10/50/88/1008105088.db2.gz YQJQZAQOPNNGFS-PZJWPPBQSA-N 2 0 404.986 3.793 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000518016672 1008106005 /nfs/dbraw/zinc/10/60/05/1008106005.db2.gz OEKRJUQMMSRXAF-OFNKIYASSA-N 2 0 414.594 3.538 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000539832296 1008125851 /nfs/dbraw/zinc/12/58/51/1008125851.db2.gz OBCIJJAXJQUUIP-UHFFFAOYSA-N 2 0 408.546 3.983 20 0 HHADRP CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000539836090 1008128511 /nfs/dbraw/zinc/12/85/11/1008128511.db2.gz QXRKPGZZIMLCPK-UHFFFAOYSA-N 2 0 423.601 3.934 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000539951297 1008202136 /nfs/dbraw/zinc/20/21/36/1008202136.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 2 0 400.998 3.833 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3sc(CCOC)nc3C)cc2)CC1 ZINC000539967486 1008212216 /nfs/dbraw/zinc/21/22/16/1008212216.db2.gz HAOOLGBRAXNWFI-SFHVURJKSA-N 2 0 416.635 3.629 20 0 HHADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000539968515 1008212674 /nfs/dbraw/zinc/21/26/74/1008212674.db2.gz FGNOGPNTEPNYKD-CVEARBPZSA-N 2 0 420.598 3.943 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000539975613 1008216680 /nfs/dbraw/zinc/21/66/80/1008216680.db2.gz AAEIUUOWVFCRHT-BJKOFHAPSA-N 2 0 421.589 3.775 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000539975615 1008216785 /nfs/dbraw/zinc/21/67/85/1008216785.db2.gz AAEIUUOWVFCRHT-RPWUZVMVSA-N 2 0 421.589 3.775 20 0 HHADRP CC(C)COC[C@@H](O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955345 1008231304 /nfs/dbraw/zinc/23/13/04/1008231304.db2.gz HLZARWPYIQNAGQ-FQEVSTJZSA-N 2 0 402.501 3.635 20 0 HHADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045419 1008254509 /nfs/dbraw/zinc/25/45/09/1008254509.db2.gz NNUFIFBMUKVVHQ-LJQANCHMSA-N 2 0 412.553 3.979 20 0 HHADRP COc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccc(OC)cc2)cc1 ZINC000540155224 1008314163 /nfs/dbraw/zinc/31/41/63/1008314163.db2.gz AVVJPDKYBIZMSR-KKUQBAQOSA-N 2 0 424.585 3.955 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459895 1008317048 /nfs/dbraw/zinc/31/70/48/1008317048.db2.gz JRHLZDNAEMGEPQ-DENIHFKCSA-N 2 0 416.610 3.642 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000540161524 1008317265 /nfs/dbraw/zinc/31/72/65/1008317265.db2.gz QURJZGSNTDDBQG-BULFRSBZSA-N 2 0 402.583 3.589 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000540166349 1008318988 /nfs/dbraw/zinc/31/89/88/1008318988.db2.gz BSIAYKVNKGJMAY-QFBILLFUSA-N 2 0 406.958 3.659 20 0 HHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540172727 1008322263 /nfs/dbraw/zinc/32/22/63/1008322263.db2.gz UMHYAPWPOWZWIK-HRCADAONSA-N 2 0 401.364 3.998 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000540258257 1008357708 /nfs/dbraw/zinc/35/77/08/1008357708.db2.gz FNCJVDINIFSVBA-GUDVDZBRSA-N 2 0 415.603 3.663 20 0 HHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000540320226 1008378640 /nfs/dbraw/zinc/37/86/40/1008378640.db2.gz GXLXPLPHZQENFR-KRWDZBQOSA-N 2 0 417.500 3.851 20 0 HHADRP C[C@@H]([NH2+]C1(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1)c1ccccc1 ZINC000540321554 1008379064 /nfs/dbraw/zinc/37/90/64/1008379064.db2.gz UVFPQQZPUNOJJY-ZWKOTPCHSA-N 2 0 401.576 3.648 20 0 HHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540327937 1008381693 /nfs/dbraw/zinc/38/16/93/1008381693.db2.gz YNVFZUHEVAFWLJ-JTAQYXEDSA-N 2 0 409.574 3.904 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000518791644 1008421979 /nfs/dbraw/zinc/42/19/79/1008421979.db2.gz PGYLKRFNKGAUEC-HXUWFJFHSA-N 2 0 409.574 3.931 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504661 1008458737 /nfs/dbraw/zinc/45/87/37/1008458737.db2.gz FOBFKBFFYHPYBM-HDICACEKSA-N 2 0 402.608 3.860 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000518926739 1008475370 /nfs/dbraw/zinc/47/53/70/1008475370.db2.gz NTPCOSGKNUQBTE-HSALFYBXSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000549036131 1008603943 /nfs/dbraw/zinc/60/39/43/1008603943.db2.gz OYKITXJBJCEVSV-DENIHFKCSA-N 2 0 401.595 3.503 20 0 HHADRP CSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000519371415 1008768749 /nfs/dbraw/zinc/76/87/49/1008768749.db2.gz MRDWAPXSXREULI-AWEZNQCLSA-N 2 0 403.514 3.840 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549208209 1008779369 /nfs/dbraw/zinc/77/93/69/1008779369.db2.gz VDUAKUNFWIINSY-SIKLNZKXSA-N 2 0 400.611 3.659 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000549209380 1008780947 /nfs/dbraw/zinc/78/09/47/1008780947.db2.gz MIEMJSTVYNLXSR-PKTZIBPZSA-N 2 0 412.622 3.947 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000519490462 1008862806 /nfs/dbraw/zinc/86/28/06/1008862806.db2.gz DSNCLPMGVBIEKW-UXHICEINSA-N 2 0 406.640 3.914 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519668001 1008951985 /nfs/dbraw/zinc/95/19/85/1008951985.db2.gz RAVPOEMYIUETAI-INIZCTEOSA-N 2 0 400.380 3.527 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(-n4ccnc4)cs3)CC2)CC1 ZINC000543395591 1008985969 /nfs/dbraw/zinc/98/59/69/1008985969.db2.gz KXASSSNRPZHKSL-UHFFFAOYSA-N 2 0 401.624 3.562 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)CC3 ZINC000545899973 1008986155 /nfs/dbraw/zinc/98/61/55/1008986155.db2.gz ZNZCMWCTIXRHCV-IBGZPJMESA-N 2 0 407.558 3.807 20 0 HHADRP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000543403035 1008995421 /nfs/dbraw/zinc/99/54/21/1008995421.db2.gz QDMFLYQYDXIDBQ-RUZDIDTESA-N 2 0 408.590 3.524 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccc(Cl)cc1 ZINC000549457214 1009049344 /nfs/dbraw/zinc/04/93/44/1009049344.db2.gz RFJGXLBFTAMBSL-OAQYLSRUSA-N 2 0 411.937 3.687 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000519936321 1009091148 /nfs/dbraw/zinc/09/11/48/1009091148.db2.gz PENBWDQGLRGMRG-OAQYLSRUSA-N 2 0 406.640 3.770 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000546166458 1009198166 /nfs/dbraw/zinc/19/81/66/1009198166.db2.gz QKWPANMYHCOKQP-DHIUTWEWSA-N 2 0 400.998 3.880 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000543643176 1009247062 /nfs/dbraw/zinc/24/70/62/1009247062.db2.gz ZAEJAZSNEHXYGI-WOJBJXKFSA-N 2 0 400.611 3.933 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000543650287 1009254540 /nfs/dbraw/zinc/25/45/40/1009254540.db2.gz MKQUCOQCPNMUSF-QGZVFWFLSA-N 2 0 407.002 3.676 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000520129797 1009282641 /nfs/dbraw/zinc/28/26/41/1009282641.db2.gz TTYDHAVKXAGYAJ-KDURUIRLSA-N 2 0 424.580 3.796 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000520129945 1009283145 /nfs/dbraw/zinc/28/31/45/1009283145.db2.gz FGJSBIIRFQZECX-QHCPKHFHSA-N 2 0 412.553 3.736 20 0 HHADRP c1onc(Cc2ccccc2)c1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549711849 1009341998 /nfs/dbraw/zinc/34/19/98/1009341998.db2.gz STDKZAFNVFNFNP-UHFFFAOYSA-N 2 0 404.558 3.957 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000520298833 1009423904 /nfs/dbraw/zinc/42/39/04/1009423904.db2.gz NRTAWZLBVOOYAT-XMMPIXPASA-N 2 0 408.590 3.905 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520348264 1009484460 /nfs/dbraw/zinc/48/44/60/1009484460.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 2 0 418.585 3.605 20 0 HHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000549916221 1009534085 /nfs/dbraw/zinc/53/40/85/1009534085.db2.gz PQEUFUFGVYXFFR-UHFFFAOYSA-N 2 0 414.638 3.972 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@H]1C ZINC000544004510 1009605406 /nfs/dbraw/zinc/60/54/06/1009605406.db2.gz SYKRHQVFSFBITM-RTBURBONSA-N 2 0 409.565 3.515 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000546619496 1009632213 /nfs/dbraw/zinc/63/22/13/1009632213.db2.gz WVGMEXNPRCAGIO-KURKYZTESA-N 2 0 407.986 3.561 20 0 HHADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000544223459 1009833431 /nfs/dbraw/zinc/83/34/31/1009833431.db2.gz GOPVVFFTZCEBDE-FGZHOGPDSA-N 2 0 423.601 3.938 20 0 HHADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCO1 ZINC000550354034 1009881528 /nfs/dbraw/zinc/88/15/28/1009881528.db2.gz UNPQTDLFMDRRDG-YPAWHYETSA-N 2 0 423.601 3.811 20 0 HHADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000550354032 1009882115 /nfs/dbraw/zinc/88/21/15/1009882115.db2.gz UNPQTDLFMDRRDG-FSSWDIPSSA-N 2 0 423.601 3.811 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993925 1010032983 /nfs/dbraw/zinc/03/29/83/1010032983.db2.gz DEFUJASJVDLRKI-FPOVZHCZSA-N 2 0 401.526 3.830 20 0 HHADRP CC(C)[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521031769 1010064336 /nfs/dbraw/zinc/06/43/36/1010064336.db2.gz TVZOVZJCMFQJMG-UHFFFAOYSA-N 2 0 414.638 3.847 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067541 1010085652 /nfs/dbraw/zinc/08/56/52/1010085652.db2.gz YBKORMXYKOJIQN-OALUTQOASA-N 2 0 424.580 3.796 20 0 HHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)c1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000550720951 1010129447 /nfs/dbraw/zinc/12/94/47/1010129447.db2.gz PUAVLOOHNFURNN-UHFFFAOYSA-N 2 0 424.464 3.901 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505269 1010331263 /nfs/dbraw/zinc/33/12/63/1010331263.db2.gz LNMLWCNHTLXHQR-CTVDGRRTSA-N 2 0 408.590 3.695 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000547541092 1010344960 /nfs/dbraw/zinc/34/49/60/1010344960.db2.gz GQTNZPFUGNGODU-UHFFFAOYSA-N 2 0 414.394 3.681 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544828264 1010419172 /nfs/dbraw/zinc/41/91/72/1010419172.db2.gz PAVOROWVFDBCLA-AUSIDOKSSA-N 2 0 400.998 3.882 20 0 HHADRP CC(C)c1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000521521383 1010433396 /nfs/dbraw/zinc/43/33/96/1010433396.db2.gz LGWAHQPUZWRTIN-UHFFFAOYSA-N 2 0 420.989 3.606 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548091020 1010527116 /nfs/dbraw/zinc/52/71/16/1010527116.db2.gz AWLBZNCIBQBFMS-UHFFFAOYSA-N 2 0 422.573 3.685 20 0 HHADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000521700171 1010560176 /nfs/dbraw/zinc/56/01/76/1010560176.db2.gz VFTNPZNJJUZMCC-KDURUIRLSA-N 2 0 404.624 3.662 20 0 HHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000521938529 1010726041 /nfs/dbraw/zinc/72/60/41/1010726041.db2.gz HZIORTVLRZMQIX-CTNGQTDRSA-N 2 0 401.526 3.986 20 0 HHADRP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703252 1010749756 /nfs/dbraw/zinc/74/97/56/1010749756.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 2 0 407.602 3.778 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000522173859 1010847132 /nfs/dbraw/zinc/84/71/32/1010847132.db2.gz VODPSPGLWVWLRF-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522318093 1010926758 /nfs/dbraw/zinc/92/67/58/1010926758.db2.gz QKSNQQOVWPRRJW-QPPBQGQZSA-N 2 0 408.590 3.904 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000522318094 1010926774 /nfs/dbraw/zinc/92/67/74/1010926774.db2.gz QKSNQQOVWPRRJW-URXFXBBRSA-N 2 0 408.590 3.904 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522468190 1011030990 /nfs/dbraw/zinc/03/09/90/1011030990.db2.gz SIVOJSDCKWWLDV-OALUTQOASA-N 2 0 416.591 3.923 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536130113 1011253103 /nfs/dbraw/zinc/25/31/03/1011253103.db2.gz JBIOHVUVLPXDLV-NHCUHLMSSA-N 2 0 415.626 3.698 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000536132160 1011255304 /nfs/dbraw/zinc/25/53/04/1011255304.db2.gz ZRORRVPKPDBLPE-UHFFFAOYSA-N 2 0 401.599 3.592 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830469 1011266116 /nfs/dbraw/zinc/26/61/16/1011266116.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 2 0 420.601 3.984 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522868463 1011310262 /nfs/dbraw/zinc/31/02/62/1011310262.db2.gz SXJWPFAAXUVVPF-VWLOTQADSA-N 2 0 420.601 3.986 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536304300 1011495706 /nfs/dbraw/zinc/49/57/06/1011495706.db2.gz ZSHCRYGVCXAUDB-GOSISDBHSA-N 2 0 400.792 3.707 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000536427296 1011646482 /nfs/dbraw/zinc/64/64/82/1011646482.db2.gz GRQRCVABOUGLQN-XMMPIXPASA-N 2 0 406.574 3.811 20 0 HHADRP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000541031928 1011665945 /nfs/dbraw/zinc/66/59/45/1011665945.db2.gz JORBYQKNSJTHHP-KNQAVFIVSA-N 2 0 404.599 3.928 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OC ZINC000523341728 1011820277 /nfs/dbraw/zinc/82/02/77/1011820277.db2.gz KEJRLXJHJGYQKY-UHFFFAOYSA-N 2 0 420.598 3.754 20 0 HHADRP CC(C)c1ncc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000536679529 1011841141 /nfs/dbraw/zinc/84/11/41/1011841141.db2.gz FECSWFHEMZQSJN-UHFFFAOYSA-N 2 0 414.619 3.727 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc3ncccc3c2)CC1)Cc1ccccc1 ZINC000536679268 1011842327 /nfs/dbraw/zinc/84/23/27/1011842327.db2.gz YQDXGNAVIDSFBZ-UHFFFAOYSA-N 2 0 416.569 3.695 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)CC1 ZINC000536709865 1011882385 /nfs/dbraw/zinc/88/23/85/1011882385.db2.gz MIBAOEHNNRSBCN-IBGZPJMESA-N 2 0 410.389 3.870 20 0 HHADRP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724940 1011895785 /nfs/dbraw/zinc/89/57/85/1011895785.db2.gz XIJVAYLLIATETK-WMZHIEFXSA-N 2 0 422.573 3.648 20 0 HHADRP COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724751 1011895887 /nfs/dbraw/zinc/89/58/87/1011895887.db2.gz RRNDHLLWKOBCBT-UHFFFAOYSA-N 2 0 422.573 3.608 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000536730160 1011903272 /nfs/dbraw/zinc/90/32/72/1011903272.db2.gz XMXXODKRMXZKRN-UHFFFAOYSA-N 2 0 423.561 3.585 20 0 HHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000551790068 1011948962 /nfs/dbraw/zinc/94/89/62/1011948962.db2.gz VLDQSDZTAGICFS-UKDVSSAZSA-N 2 0 421.585 3.803 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536764374 1011963926 /nfs/dbraw/zinc/96/39/26/1011963926.db2.gz XRFGNJOGEIGZCN-HSZRJFAPSA-N 2 0 413.610 3.642 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472954 1011982482 /nfs/dbraw/zinc/98/24/82/1011982482.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 2 0 408.590 3.813 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@H](C)C1 ZINC000536806277 1012029358 /nfs/dbraw/zinc/02/93/58/1012029358.db2.gz KYNDYVPLQXVCKL-IRLDBZIGSA-N 2 0 416.606 3.996 20 0 HHADRP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032936 1012057642 /nfs/dbraw/zinc/05/76/42/1012057642.db2.gz CYAKTGTVYDLBDL-ZKMPZPQNSA-N 2 0 421.585 3.592 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835152 1012065831 /nfs/dbraw/zinc/06/58/31/1012065831.db2.gz VZPWTNMSGRUYRR-SFTDATJTSA-N 2 0 421.651 3.880 20 0 HHADRP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552054892 1012073164 /nfs/dbraw/zinc/07/31/64/1012073164.db2.gz RXNIIWXYTMTWHC-CJRSTVEYSA-N 2 0 407.606 3.669 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523543974 1012076045 /nfs/dbraw/zinc/07/60/45/1012076045.db2.gz KTUYBARUWHAQRY-UHFFFAOYSA-N 2 0 420.601 3.718 20 0 HHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000536855663 1012088143 /nfs/dbraw/zinc/08/81/43/1012088143.db2.gz BVTJJIZOOKJDNX-MRXNPFEDSA-N 2 0 405.489 3.739 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000536855731 1012088350 /nfs/dbraw/zinc/08/83/50/1012088350.db2.gz CBYFVRBJZJXBOH-GUDVDZBRSA-N 2 0 410.002 3.556 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000541382847 1012103413 /nfs/dbraw/zinc/10/34/13/1012103413.db2.gz CQOCSCNQIICSCZ-UHFFFAOYSA-N 2 0 405.424 3.937 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000536901477 1012160284 /nfs/dbraw/zinc/16/02/84/1012160284.db2.gz OGRXWGUFTPSVBT-UHFFFAOYSA-N 2 0 420.601 3.613 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000523616080 1012188820 /nfs/dbraw/zinc/18/88/20/1012188820.db2.gz OKQKYBIYHPQMEU-IFMALSPDSA-N 2 0 415.626 3.588 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962971 1012255301 /nfs/dbraw/zinc/25/53/01/1012255301.db2.gz LSVHUKYGOCRKRG-MSOLQXFVSA-N 2 0 401.576 3.559 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000523749451 1012372922 /nfs/dbraw/zinc/37/29/22/1012372922.db2.gz QEKUWCOMQUFSED-NZQKXSOJSA-N 2 0 424.589 3.710 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[NH+]2CCCC2)o1 ZINC000523761353 1012388395 /nfs/dbraw/zinc/38/83/95/1012388395.db2.gz FMQBLIFUZUFNAY-MNLRITNHSA-N 2 0 402.583 3.631 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599470 1012392339 /nfs/dbraw/zinc/39/23/39/1012392339.db2.gz FVAOWGDOJIQWDY-RLFYNMQTSA-N 2 0 401.378 3.976 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000523773256 1012412807 /nfs/dbraw/zinc/41/28/07/1012412807.db2.gz NPYGWZKCDMOPLP-FCHUYYIVSA-N 2 0 422.658 3.611 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccsc1 ZINC000523813192 1012490330 /nfs/dbraw/zinc/49/03/30/1012490330.db2.gz KEQPOHQZEPTRNW-QFIPXVFZSA-N 2 0 414.619 3.701 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000523866579 1012563168 /nfs/dbraw/zinc/56/31/68/1012563168.db2.gz QXAFRYIQENXDFH-OAQYLSRUSA-N 2 0 420.601 3.960 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000541745132 1012603053 /nfs/dbraw/zinc/60/30/53/1012603053.db2.gz WTVRVYLEBDFIPS-GOSISDBHSA-N 2 0 420.598 3.610 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1O2 ZINC000537192001 1012605068 /nfs/dbraw/zinc/60/50/68/1012605068.db2.gz KNSWONCROJFGIH-FQEVSTJZSA-N 2 0 413.949 3.648 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000523904466 1012617562 /nfs/dbraw/zinc/61/75/62/1012617562.db2.gz VSQLBDAVTQBDLF-XZOTUCIWSA-N 2 0 406.574 3.957 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000523907290 1012623760 /nfs/dbraw/zinc/62/37/60/1012623760.db2.gz XKGBSMXCCZNPFQ-WZONZLPQSA-N 2 0 412.553 3.953 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)[NH+]2CCCC2)o1 ZINC000523939388 1012673529 /nfs/dbraw/zinc/67/35/29/1012673529.db2.gz LVKIEVAUZKIJLQ-NRFANRHFSA-N 2 0 414.550 3.624 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000523939704 1012673633 /nfs/dbraw/zinc/67/36/33/1012673633.db2.gz YLLPTLDKKSOIBI-VXKWHMMOSA-N 2 0 410.562 3.861 20 0 HHADRP C[NH+]1CCC[C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271828 1012725617 /nfs/dbraw/zinc/72/56/17/1012725617.db2.gz CACOCYSTFFGXSX-AZUAARDMSA-N 2 0 424.511 3.649 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919149 1012777800 /nfs/dbraw/zinc/77/78/00/1012777800.db2.gz UKXIEJQYSJCWLI-BEFAXECRSA-N 2 0 406.473 3.714 20 0 HHADRP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000541918682 1012778026 /nfs/dbraw/zinc/77/80/26/1012778026.db2.gz JKABYYWDWKXXQO-MAUKXSAKSA-N 2 0 404.938 3.775 20 0 HHADRP CC[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000552780867 1012784998 /nfs/dbraw/zinc/78/49/98/1012784998.db2.gz UPPGTZIXMZNNNV-XMMPIXPASA-N 2 0 409.574 3.686 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000537397188 1012880923 /nfs/dbraw/zinc/88/09/23/1012880923.db2.gz RMMJHWSQNKLQDJ-PXDATVDWSA-N 2 0 407.606 3.542 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524137931 1012923589 /nfs/dbraw/zinc/92/35/89/1012923589.db2.gz QYCYWSOAIHOPMW-FQEVSTJZSA-N 2 0 404.624 3.620 20 0 HHADRP Cc1noc([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@@H](c4nc(C)no4)C3)C2)n1 ZINC000729815152 1072130006 /nfs/dbraw/zinc/13/00/06/1072130006.db2.gz PUSMSEOUCHWNQR-WOJBJXKFSA-N 2 0 416.570 3.689 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@@H](C)C[C@H]3n3cncn3)CC2)c1 ZINC000570189688 1072196450 /nfs/dbraw/zinc/19/64/50/1072196450.db2.gz HHKDCRVXVTXAHV-GMKZXUHWSA-N 2 0 410.610 3.508 20 0 HHADRP CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000760479612 1072387794 /nfs/dbraw/zinc/38/77/94/1072387794.db2.gz ZOVMSBFFRANOSC-QFIPXVFZSA-N 2 0 402.652 3.579 20 0 HHADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC001168301134 1072463294 /nfs/dbraw/zinc/46/32/94/1072463294.db2.gz RMFHCYBTHLSYTD-UHFFFAOYSA-N 2 0 423.601 3.531 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2c2cccnc2)CC1 ZINC001168303722 1072468635 /nfs/dbraw/zinc/46/86/35/1072468635.db2.gz ANSLHKYSZXAWPS-UEKLYDJUSA-N 2 0 402.583 3.842 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586857862 1072480719 /nfs/dbraw/zinc/48/07/19/1072480719.db2.gz GERAKGFCKMTQTH-QHAWAJNXSA-N 2 0 400.611 3.564 20 0 HHADRP CN1CCC([N@H+](C2CCC([NH+](C)C)CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168330647 1072509789 /nfs/dbraw/zinc/50/97/89/1072509789.db2.gz VDKUTAAHKJTPQV-UHFFFAOYSA-N 2 0 422.658 3.655 20 0 HHADRP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@]2(C(F)(F)F)C1 ZINC001168377606 1072513297 /nfs/dbraw/zinc/51/32/97/1072513297.db2.gz FBVPTOKMHKWTTO-OXQOHEQNSA-N 2 0 417.516 3.592 20 0 HHADRP O=C(C1=CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21)N1CCCC1 ZINC001168379535 1072669449 /nfs/dbraw/zinc/66/94/49/1072669449.db2.gz LQUKDTYLGUNUJJ-UHFFFAOYSA-N 2 0 419.613 3.914 20 0 HHADRP Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380462 1072707672 /nfs/dbraw/zinc/70/76/72/1072707672.db2.gz SWBAGZPKPCDILD-DQEYMECFSA-N 2 0 413.606 3.652 20 0 HHADRP O=C(/C=C\c1ccsc1C(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001626002270 1072709699 /nfs/dbraw/zinc/70/96/99/1072709699.db2.gz BKDJHUGOADKGJM-IHWYPQMZSA-N 2 0 424.492 3.504 20 0 HHADRP O=C(/C=C/c1ccc(F)c2ccccc12)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001626002294 1072741920 /nfs/dbraw/zinc/74/19/20/1072741920.db2.gz CCGPDXYKAPBKMC-VQHVLOKHSA-N 2 0 418.516 3.716 20 0 HHADRP C[NH+](C)Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)o1 ZINC000571824562 1072849469 /nfs/dbraw/zinc/84/94/69/1072849469.db2.gz CNHFLKBTSMACGK-UHFFFAOYSA-N 2 0 420.513 3.907 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554919978 1072952787 /nfs/dbraw/zinc/95/27/87/1072952787.db2.gz QWJWXAOXNKDBSR-XMMPIXPASA-N 2 0 414.638 3.705 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656450 1073104964 /nfs/dbraw/zinc/10/49/64/1073104964.db2.gz NZEMIPKYWGNINM-SFTDATJTSA-N 2 0 415.622 3.878 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000588709779 1073155412 /nfs/dbraw/zinc/15/54/12/1073155412.db2.gz DLLNLQTXJZFEMQ-IAGOWNOFSA-N 2 0 400.485 3.949 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710635 1073157129 /nfs/dbraw/zinc/15/71/29/1073157129.db2.gz KKVVEIRTLVANLV-VSKRKVRLSA-N 2 0 415.622 3.633 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760701480 1073180674 /nfs/dbraw/zinc/18/06/74/1073180674.db2.gz AZQXFYXBPZZQIS-UHFFFAOYSA-N 2 0 411.377 3.812 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760703617 1073220903 /nfs/dbraw/zinc/22/09/03/1073220903.db2.gz PSRCEYVFMWCHJY-UHFFFAOYSA-N 2 0 411.377 3.812 20 0 HHADRP COCCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000555225011 1073263841 /nfs/dbraw/zinc/26/38/41/1073263841.db2.gz FZQVDGMYJXBSNF-HMHBSYAJSA-N 2 0 406.014 3.954 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)C[C@H](C)O1 ZINC000555309834 1073335153 /nfs/dbraw/zinc/33/51/53/1073335153.db2.gz CNLQOCBEXGDTHV-OYRHEFFESA-N 2 0 413.606 3.634 20 0 HHADRP COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589999435 1073440422 /nfs/dbraw/zinc/44/04/22/1073440422.db2.gz IDRQWIKRWOIOLB-UHFFFAOYSA-N 2 0 421.585 3.818 20 0 HHADRP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000590157333 1073598971 /nfs/dbraw/zinc/59/89/71/1073598971.db2.gz LQMHOOURKBBGCX-NHCUHLMSSA-N 2 0 400.611 3.790 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000555597332 1073662246 /nfs/dbraw/zinc/66/22/46/1073662246.db2.gz FHNSVRDOGMZNPS-ARMFNRFLSA-N 2 0 408.586 3.880 20 0 HHADRP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612595 1073675435 /nfs/dbraw/zinc/67/54/35/1073675435.db2.gz VJRZRSLGIKRDBR-HSZRJFAPSA-N 2 0 417.553 3.959 20 0 HHADRP Cn1cnc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)ccc21 ZINC000555617829 1073684232 /nfs/dbraw/zinc/68/42/32/1073684232.db2.gz WXTXMKCJTHDOPO-JOCHJYFZSA-N 2 0 404.558 3.592 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592475300 1074763823 /nfs/dbraw/zinc/76/38/23/1074763823.db2.gz QQWHVDCIWPSEIO-UWJYYQICSA-N 2 0 404.986 3.793 20 0 HHADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592489827 1074769194 /nfs/dbraw/zinc/76/91/94/1074769194.db2.gz BLAKHBAGHWMLKA-GOSISDBHSA-N 2 0 407.002 3.726 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000592559083 1074788658 /nfs/dbraw/zinc/78/86/58/1074788658.db2.gz NCROOBDINGAGRQ-UHFFFAOYSA-N 2 0 419.013 3.822 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593498359 1075204165 /nfs/dbraw/zinc/20/41/65/1075204165.db2.gz ISAAHAAUWPBPMQ-KDURUIRLSA-N 2 0 404.599 3.895 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000593499404 1075204433 /nfs/dbraw/zinc/20/44/33/1075204433.db2.gz WLYKNQFFOUSZEW-LJQANCHMSA-N 2 0 410.562 3.585 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[NH+]2CCCC2)o1 ZINC000593500857 1075204963 /nfs/dbraw/zinc/20/49/63/1075204963.db2.gz BHGOFGKBYHAAQI-OAQYLSRUSA-N 2 0 414.550 3.877 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000575031421 1075447123 /nfs/dbraw/zinc/44/71/23/1075447123.db2.gz XOBRETWTROQNFA-SFTDATJTSA-N 2 0 416.610 3.582 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000595438449 1075457557 /nfs/dbraw/zinc/45/75/57/1075457557.db2.gz NBGXEPFIYCYUSA-SFHVURJKSA-N 2 0 405.502 3.773 20 0 HHADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000601317830 1075598855 /nfs/dbraw/zinc/59/88/55/1075598855.db2.gz JEWQMFGWQBYHPS-FQEVSTJZSA-N 2 0 407.002 3.724 20 0 HHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000602277249 1075725553 /nfs/dbraw/zinc/72/55/53/1075725553.db2.gz HBHZQOJYYPOYFC-GOSISDBHSA-N 2 0 418.379 3.967 20 0 HHADRP COc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OCc1ccccc1 ZINC000602277278 1075725825 /nfs/dbraw/zinc/72/58/25/1075725825.db2.gz ITOZZXICNNJDCC-QFIPXVFZSA-N 2 0 409.574 3.532 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000602278141 1075725841 /nfs/dbraw/zinc/72/58/41/1075725841.db2.gz VHFVVOCQFILHLH-OAQYLSRUSA-N 2 0 419.573 3.699 20 0 HHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628645 719068937 /nfs/dbraw/zinc/06/89/37/719068937.db2.gz TUADCYWLTBTMCB-FPOVZHCZSA-N 2 0 411.981 3.698 20 0 HHADRP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164840922 720716661 /nfs/dbraw/zinc/71/66/61/720716661.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 2 0 420.601 3.936 20 0 HHADRP c1cc2c(cc[nH+]c2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754597 720872874 /nfs/dbraw/zinc/87/28/74/720872874.db2.gz SEMDOPNEHGHSJF-PXDATVDWSA-N 2 0 417.557 3.713 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180441 /nfs/dbraw/zinc/18/04/41/721180441.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 2 0 421.589 3.503 20 0 HHADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771865 721210415 /nfs/dbraw/zinc/21/04/15/721210415.db2.gz RLEKCFBXZRZMFZ-YADHBBJMSA-N 2 0 416.573 3.527 20 0 HHADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164786702 721464387 /nfs/dbraw/zinc/46/43/87/721464387.db2.gz PFJJHIWTYUYCDC-HXUWFJFHSA-N 2 0 412.578 3.605 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000542141197 1013075795 /nfs/dbraw/zinc/07/57/95/1013075795.db2.gz DNNXYKGWCMQJBN-GOSISDBHSA-N 2 0 409.530 3.576 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303179532 971545328 /nfs/dbraw/zinc/54/53/28/971545328.db2.gz KBKDWBOHDUKYDN-NHCUHLMSSA-N 2 0 402.583 3.714 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303211855 971563319 /nfs/dbraw/zinc/56/33/19/971563319.db2.gz OYFXEGAYAGWFKM-AKFKNWHVSA-N 2 0 414.638 3.608 20 0 HHADRP CCOC(=O)Nc1ccc2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000303225339 971568467 /nfs/dbraw/zinc/56/84/67/971568467.db2.gz WQXRBEZGMBOUNZ-UHFFFAOYSA-N 2 0 413.518 3.669 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC000303619907 971903915 /nfs/dbraw/zinc/90/39/15/971903915.db2.gz WVOQGFLRMPPREX-UHFFFAOYSA-N 2 0 415.578 3.539 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(Br)c(C(F)(F)F)n1 ZINC000553157129 1013116820 /nfs/dbraw/zinc/11/68/20/1013116820.db2.gz PWRXEOWYSVVKOT-UHFFFAOYSA-N 2 0 411.310 3.573 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000303685831 971962134 /nfs/dbraw/zinc/96/21/34/971962134.db2.gz ZWBXNKYVQKEPJF-OAQYLSRUSA-N 2 0 407.002 3.868 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000537613491 1013152490 /nfs/dbraw/zinc/15/24/90/1013152490.db2.gz QIDXVDCKNVARTI-NFBKMPQASA-N 2 0 406.574 3.633 20 0 HHADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621822 1013167649 /nfs/dbraw/zinc/16/76/49/1013167649.db2.gz IOZQAIQTHJANDA-RDGATRHJSA-N 2 0 422.617 3.735 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000537623006 1013171306 /nfs/dbraw/zinc/17/13/06/1013171306.db2.gz UAEIWJCCDLLHSK-UHFFFAOYSA-N 2 0 402.970 3.911 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000303929717 972508226 /nfs/dbraw/zinc/50/82/26/972508226.db2.gz QGXFQNYFKNFDFQ-UHFFFAOYSA-N 2 0 416.997 3.804 20 0 HHADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc2cccnc12 ZINC000542306115 1013263011 /nfs/dbraw/zinc/26/30/11/1013263011.db2.gz NTRUUSUGXYMBOQ-UHFFFAOYSA-N 2 0 402.542 3.659 20 0 HHADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000537706375 1013272421 /nfs/dbraw/zinc/27/24/21/1013272421.db2.gz OKKZNFXGTQKMMD-UHFFFAOYSA-N 2 0 421.585 3.782 20 0 HHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000553340454 1013284876 /nfs/dbraw/zinc/28/48/76/1013284876.db2.gz HOWOQCAMCGIIDP-GOSISDBHSA-N 2 0 407.558 3.756 20 0 HHADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000537728015 1013288559 /nfs/dbraw/zinc/28/85/59/1013288559.db2.gz FSEKTMOTJVDMJA-XMMPIXPASA-N 2 0 407.558 3.858 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000537810491 1013372720 /nfs/dbraw/zinc/37/27/20/1013372720.db2.gz RODKLWIXRKCPFD-QFIPXVFZSA-N 2 0 415.626 3.698 20 0 HHADRP Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476026 1013423380 /nfs/dbraw/zinc/42/33/80/1013423380.db2.gz SEDVCIYXVQKJHY-XMMPIXPASA-N 2 0 405.521 3.507 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000537873741 1013449065 /nfs/dbraw/zinc/44/90/65/1013449065.db2.gz AHVHPECZWYNPOA-DEOSSOPVSA-N 2 0 421.589 3.652 20 0 HHADRP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C(C)C ZINC000048693332 964030483 /nfs/dbraw/zinc/03/04/83/964030483.db2.gz AGMOCWIDNKYSHO-UHFFFAOYSA-N 2 0 416.610 3.625 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000537918878 1013504010 /nfs/dbraw/zinc/50/40/10/1013504010.db2.gz TYFZVEZYTNNVON-FQEVSTJZSA-N 2 0 406.578 3.599 20 0 HHADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000542592316 1013532318 /nfs/dbraw/zinc/53/23/18/1013532318.db2.gz PZJLGMSTGKUATF-HXUWFJFHSA-N 2 0 408.590 3.516 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000537990366 1013565386 /nfs/dbraw/zinc/56/53/86/1013565386.db2.gz KNIXYSKGJNQMBB-OAQYLSRUSA-N 2 0 404.562 3.520 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561689 /nfs/dbraw/zinc/56/16/89/1013561689.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 2 0 401.639 3.796 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000029730305 965479030 /nfs/dbraw/zinc/47/90/30/965479030.db2.gz SNWKABYKIDUNOB-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000054382351 965493738 /nfs/dbraw/zinc/49/37/38/965493738.db2.gz DMMZZUFBWIKJAO-KDURUIRLSA-N 2 0 415.626 3.625 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000057818069 965555149 /nfs/dbraw/zinc/55/51/49/965555149.db2.gz VMOYRESSDUOVRU-HSZRJFAPSA-N 2 0 400.611 3.879 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000030665299 965760581 /nfs/dbraw/zinc/76/05/81/965760581.db2.gz AFYNZBIFIUQFHC-QHCPKHFHSA-N 2 0 418.029 3.563 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000058678245 965839567 /nfs/dbraw/zinc/83/95/67/965839567.db2.gz OBLITAKKWXQPCY-QHCPKHFHSA-N 2 0 400.611 3.851 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000059952001 966045212 /nfs/dbraw/zinc/04/52/12/966045212.db2.gz SPJHQJIHPCUGJE-UHFFFAOYSA-N 2 0 420.601 3.533 20 0 HHADRP CCOc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OC ZINC000060833588 966303099 /nfs/dbraw/zinc/30/30/99/966303099.db2.gz GVTQIROINNEKSD-UHFFFAOYSA-N 2 0 417.981 3.655 20 0 HHADRP COc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037409508 966474376 /nfs/dbraw/zinc/47/43/76/966474376.db2.gz MKSGMRRCEOXPST-LLVKDONJSA-N 2 0 418.173 3.794 20 0 HHADRP CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000061521656 966487803 /nfs/dbraw/zinc/48/78/03/966487803.db2.gz FIZHTHYFKWUTFN-UHFFFAOYSA-N 2 0 420.601 3.919 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000061522779 966488795 /nfs/dbraw/zinc/48/87/95/966488795.db2.gz AWQOIINGRAUENT-FQEVSTJZSA-N 2 0 406.574 3.528 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000056889899 966503477 /nfs/dbraw/zinc/50/34/77/966503477.db2.gz ACJLMXLDGWEMRM-UHFFFAOYSA-N 2 0 404.574 3.552 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000056937878 966522416 /nfs/dbraw/zinc/52/24/16/966522416.db2.gz YFCDEWABYUJYDJ-WOJBJXKFSA-N 2 0 402.514 3.548 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000061791946 966555423 /nfs/dbraw/zinc/55/54/23/966555423.db2.gz NCVLLQIBJIQZAZ-UHFFFAOYSA-N 2 0 416.635 3.760 20 0 HHADRP CC1CC[NH+](CCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061792945 966557013 /nfs/dbraw/zinc/55/70/13/966557013.db2.gz TZUBNDZIRLAOEM-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000542752632 1013660497 /nfs/dbraw/zinc/66/04/97/1013660497.db2.gz DXTHIESPUOWEBV-FQEVSTJZSA-N 2 0 400.611 3.790 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000061868925 966568558 /nfs/dbraw/zinc/56/85/58/966568558.db2.gz IIFQVFAPHYCTEJ-HXUWFJFHSA-N 2 0 408.590 3.773 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC000062529351 966698635 /nfs/dbraw/zinc/69/86/35/966698635.db2.gz DDPQOXUDLFBDJE-HSZRJFAPSA-N 2 0 416.610 3.642 20 0 HHADRP S=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148184 966762301 /nfs/dbraw/zinc/76/23/01/966762301.db2.gz KOVABXCSJWBQNH-UHFFFAOYSA-N 2 0 422.642 3.911 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063149980 966762956 /nfs/dbraw/zinc/76/29/56/966762956.db2.gz JIPSFQHRHNQSMK-UHFFFAOYSA-N 2 0 416.679 3.969 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000063407414 966846663 /nfs/dbraw/zinc/84/66/63/966846663.db2.gz DCYRNHHQBYAJEC-DEOSSOPVSA-N 2 0 424.589 3.509 20 0 HHADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000063464036 966866180 /nfs/dbraw/zinc/86/61/80/966866180.db2.gz AWXQRCYYMQOMHV-GMAHTHKFSA-N 2 0 420.601 3.645 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000064251379 967105252 /nfs/dbraw/zinc/10/52/52/967105252.db2.gz MLAKBYSLBWDOPM-OAQYLSRUSA-N 2 0 418.582 3.701 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064251139 967105472 /nfs/dbraw/zinc/10/54/72/967105472.db2.gz RUMDCKWYTRMIEV-UHFFFAOYSA-N 2 0 406.640 3.722 20 0 HHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847364 1013706552 /nfs/dbraw/zinc/70/65/52/1013706552.db2.gz QBNGGGUCTDDRQI-RTWAWAEBSA-N 2 0 408.464 3.749 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000064520987 967224069 /nfs/dbraw/zinc/22/40/69/967224069.db2.gz FNAAPUBTKQUTTQ-OAQYLSRUSA-N 2 0 411.615 3.989 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000542847718 1013706729 /nfs/dbraw/zinc/70/67/29/1013706729.db2.gz XBZSZNDXYVWMBJ-RPBOFIJWSA-N 2 0 402.542 3.507 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000045182204 967372038 /nfs/dbraw/zinc/37/20/38/967372038.db2.gz MMJPOFKUANJINU-UHFFFAOYSA-N 2 0 404.986 3.574 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccsc1 ZINC000045658916 967527141 /nfs/dbraw/zinc/52/71/41/967527141.db2.gz TUOQAJPDVAACGL-OAQYLSRUSA-N 2 0 400.592 3.836 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2=CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891542 1013737099 /nfs/dbraw/zinc/73/70/99/1013737099.db2.gz ZXAUTEOMPJRMHQ-QHCPKHFHSA-N 2 0 414.594 3.850 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196460 1013752966 /nfs/dbraw/zinc/75/29/66/1013752966.db2.gz IKONKFZGHAICTA-GJZUVCINSA-N 2 0 422.617 3.599 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000538207463 1013761308 /nfs/dbraw/zinc/76/13/08/1013761308.db2.gz FJDAQJQXFSTLQW-OALUTQOASA-N 2 0 424.564 3.596 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCCn2cc(C)cn2)CC1 ZINC000538211189 1013764635 /nfs/dbraw/zinc/76/46/35/1013764635.db2.gz QZHNUPZJSRVQAF-HXUWFJFHSA-N 2 0 401.574 3.994 20 0 HHADRP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000538274952 1013815027 /nfs/dbraw/zinc/81/50/27/1013815027.db2.gz OFROVAKQYGHVEV-QFIPXVFZSA-N 2 0 413.606 3.991 20 0 HHADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929491 969435881 /nfs/dbraw/zinc/43/58/81/969435881.db2.gz XNIAVVMXOARWJA-UKILVPOCSA-N 2 0 421.585 3.861 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@@H](C)O1 ZINC000112664909 969822812 /nfs/dbraw/zinc/82/28/12/969822812.db2.gz JIFVIOJYTQDNKK-IAGOWNOFSA-N 2 0 418.969 3.754 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000195633517 969921258 /nfs/dbraw/zinc/92/12/58/969921258.db2.gz CXNKHQDXMPACCI-HXUWFJFHSA-N 2 0 406.574 3.699 20 0 HHADRP c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236698900 970157807 /nfs/dbraw/zinc/15/78/07/970157807.db2.gz FNKQFBLPUVGZNB-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)CC1 ZINC000237070347 970217331 /nfs/dbraw/zinc/21/73/31/970217331.db2.gz XRZWUUSCERJBJO-UHFFFAOYSA-N 2 0 410.389 3.917 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000237083892 970219719 /nfs/dbraw/zinc/21/97/19/970219719.db2.gz CQKTWAXAMSHFEK-UHFFFAOYSA-N 2 0 417.601 3.883 20 0 HHADRP COc1ccccc1-c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000237097430 970222134 /nfs/dbraw/zinc/22/21/34/970222134.db2.gz YJAPOFOSDYQLQX-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4ccccc4nc3N3CCCCC3)CC2)CC1 ZINC000237119544 970225520 /nfs/dbraw/zinc/22/55/20/970225520.db2.gz QDRHOJKZGHQZNY-UHFFFAOYSA-N 2 0 421.633 3.873 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237169398 970234383 /nfs/dbraw/zinc/23/43/83/970234383.db2.gz PPABWNWHVODWSA-UHFFFAOYSA-N 2 0 409.622 3.588 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000145601076 970266368 /nfs/dbraw/zinc/26/63/68/970266368.db2.gz UFSPHZMROIADIS-NHCUHLMSSA-N 2 0 416.679 3.873 20 0 HHADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237403618 970278324 /nfs/dbraw/zinc/27/83/24/970278324.db2.gz VYDHIETWLMNESR-QZTJIDSGSA-N 2 0 404.986 3.872 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000237418608 970281870 /nfs/dbraw/zinc/28/18/70/970281870.db2.gz YDTFMTZZGSJQMY-QFIPXVFZSA-N 2 0 417.601 3.572 20 0 HHADRP C[C@H](C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)CN1CC[NH+](C)CC1 ZINC000237597426 970318685 /nfs/dbraw/zinc/31/86/85/970318685.db2.gz QVZFSBAWEHEZQL-OAHLLOKOSA-N 2 0 412.525 3.802 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000237607805 970321113 /nfs/dbraw/zinc/32/11/13/970321113.db2.gz CIMYIGPXIOEZOC-IYBDPMFKSA-N 2 0 409.368 3.704 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000237915870 970393197 /nfs/dbraw/zinc/39/31/97/970393197.db2.gz KUNAMPWZBAVWIG-LJQANCHMSA-N 2 0 405.464 3.693 20 0 HHADRP Cc1cn2c(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c(C)nc2s1 ZINC000237916590 970394096 /nfs/dbraw/zinc/39/40/96/970394096.db2.gz IKCHKSVWYQUZHA-UHFFFAOYSA-N 2 0 411.619 3.700 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)c2)C1 ZINC000237923774 970395303 /nfs/dbraw/zinc/39/53/03/970395303.db2.gz OVPDVCDJHSUSSM-JOCHJYFZSA-N 2 0 403.526 3.934 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1)c1ccccc1Cl ZINC000237965174 970406700 /nfs/dbraw/zinc/40/67/00/970406700.db2.gz SSFDLEBUMNSVEH-FQEVSTJZSA-N 2 0 415.965 3.919 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1)c1ccc(Cl)cc1 ZINC000237965131 970406809 /nfs/dbraw/zinc/40/68/09/970406809.db2.gz SNLBMDRTLRZJMP-QFIPXVFZSA-N 2 0 415.965 3.919 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000195614943 970557786 /nfs/dbraw/zinc/55/77/86/970557786.db2.gz XWGUUOPZAGNVJO-KNQAVFIVSA-N 2 0 416.610 3.642 20 0 HHADRP COc1c(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Br ZINC000392294864 972851630 /nfs/dbraw/zinc/85/16/30/972851630.db2.gz QEOJQCAPYCEYIH-UHFFFAOYSA-N 2 0 404.146 3.572 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000392966001 972858873 /nfs/dbraw/zinc/85/88/73/972858873.db2.gz UXQRZEZEMGAGEB-MOPGFXCFSA-N 2 0 410.400 3.524 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410286953 973814152 /nfs/dbraw/zinc/81/41/52/973814152.db2.gz ISHSQXRAEMPXER-HSZRJFAPSA-N 2 0 424.589 3.813 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311123 973854211 /nfs/dbraw/zinc/85/42/11/973854211.db2.gz SKYWLEWORUBWBQ-SZPZYZBQSA-N 2 0 414.638 3.751 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000410347332 973935187 /nfs/dbraw/zinc/93/51/87/973935187.db2.gz AZNJVDDERIDKTD-VWLOTQADSA-N 2 0 420.601 3.992 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000410359281 973950357 /nfs/dbraw/zinc/95/03/57/973950357.db2.gz MTFUQHDILHFUHM-HXUWFJFHSA-N 2 0 400.611 3.838 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426038491 974161732 /nfs/dbraw/zinc/16/17/32/974161732.db2.gz ZGBGLGZJKYJVDL-HSZRJFAPSA-N 2 0 400.998 3.882 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000426142859 974262948 /nfs/dbraw/zinc/26/29/48/974262948.db2.gz WPDCFFGKZFDHLN-FPOVZHCZSA-N 2 0 402.583 3.888 20 0 HHADRP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426814230 974680113 /nfs/dbraw/zinc/68/01/13/974680113.db2.gz DKEBYYZXAQBHCH-NJYVYQBISA-N 2 0 405.627 3.593 20 0 HHADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426826906 974692159 /nfs/dbraw/zinc/69/21/59/974692159.db2.gz QIKBDCCHEZAQBL-CZYKHXBRSA-N 2 0 415.622 3.772 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428270328 975584637 /nfs/dbraw/zinc/58/46/37/975584637.db2.gz MYNDNPOCCQTXAH-UIFIKXQLSA-N 2 0 400.592 3.703 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000428273333 975587329 /nfs/dbraw/zinc/58/73/29/975587329.db2.gz ZTRSPCYDEJKXMZ-XUZZJYLKSA-N 2 0 408.590 3.861 20 0 HHADRP C[NH+]1CCC(Oc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cn2)CC1 ZINC000428790646 976065332 /nfs/dbraw/zinc/06/53/32/976065332.db2.gz RDXZGIKLIIJMHH-UHFFFAOYSA-N 2 0 422.573 3.795 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428856514 976147041 /nfs/dbraw/zinc/14/70/41/976147041.db2.gz NILJXYSBCAISAV-GGAORHGYSA-N 2 0 400.611 3.995 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428918179 976219424 /nfs/dbraw/zinc/21/94/24/976219424.db2.gz AVYMYZDDJBTQJC-CVDCTZTESA-N 2 0 412.553 3.610 20 0 HHADRP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421947 976699669 /nfs/dbraw/zinc/69/96/69/976699669.db2.gz YBHBFJUOEDSWEJ-SQJMNOBHSA-N 2 0 411.590 3.569 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754566 /nfs/dbraw/zinc/75/45/66/976754566.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 2 0 414.638 3.974 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504485 976760348 /nfs/dbraw/zinc/76/03/48/976760348.db2.gz QJWVYEPEAIHUHE-QHCPKHFHSA-N 2 0 414.638 3.975 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430219265 977398887 /nfs/dbraw/zinc/39/88/87/977398887.db2.gz OJIHQQXUYNUELC-RUZDIDTESA-N 2 0 424.589 3.940 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430758651 977735482 /nfs/dbraw/zinc/73/54/82/977735482.db2.gz BAQRLWDXRAHZKY-HXUWFJFHSA-N 2 0 415.647 3.907 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286237 978172577 /nfs/dbraw/zinc/17/25/77/978172577.db2.gz XDSUHRBTKNNRQP-FGZHOGPDSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000431650869 978410099 /nfs/dbraw/zinc/41/00/99/978410099.db2.gz GALZGFNYPRZSPG-XMMPIXPASA-N 2 0 414.638 3.608 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688903 978436597 /nfs/dbraw/zinc/43/65/97/978436597.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 2 0 406.574 3.613 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000431787870 978513840 /nfs/dbraw/zinc/51/38/40/978513840.db2.gz YAXBVUUZSYHDMN-HXUWFJFHSA-N 2 0 407.986 3.564 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000431902341 978587997 /nfs/dbraw/zinc/58/79/97/978587997.db2.gz ONCUYWOUHRTVTF-YOSAUDMPSA-N 2 0 413.606 3.709 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902338 978588077 /nfs/dbraw/zinc/58/80/77/978588077.db2.gz ONCUYWOUHRTVTF-JXALWOEJSA-N 2 0 413.606 3.709 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000432292112 978747674 /nfs/dbraw/zinc/74/76/74/978747674.db2.gz QVCBOCGVHOCBPV-UHFFFAOYSA-N 2 0 400.567 3.690 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432411406 978800618 /nfs/dbraw/zinc/80/06/18/978800618.db2.gz XWSFTVOGKQUROH-KGXSXCIVSA-N 2 0 411.512 3.909 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432411825 978800688 /nfs/dbraw/zinc/80/06/88/978800688.db2.gz BRIFBMCMWREGOR-UHFFFAOYSA-N 2 0 415.379 3.632 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000432426367 978806976 /nfs/dbraw/zinc/80/69/76/978806976.db2.gz ZNLPGRUHINFRFV-SFHLNBCPSA-N 2 0 408.558 3.925 20 0 HHADRP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000432791802 978975687 /nfs/dbraw/zinc/97/56/87/978975687.db2.gz IBLPFWAWDGOHMX-ZCSHXWBDSA-N 2 0 418.622 3.658 20 0 HHADRP CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432871651 978997231 /nfs/dbraw/zinc/99/72/31/978997231.db2.gz LWMHPONFWIZHBO-KNQAVFIVSA-N 2 0 415.603 3.594 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433074244 979059527 /nfs/dbraw/zinc/05/95/27/979059527.db2.gz HVGSQLVPKFRHGG-XMMPIXPASA-N 2 0 424.585 3.561 20 0 HHADRP Cc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000433198041 979135034 /nfs/dbraw/zinc/13/50/34/979135034.db2.gz VSRVUGRIUKOBMX-JOCHJYFZSA-N 2 0 407.602 3.947 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433388564 979270325 /nfs/dbraw/zinc/27/03/25/979270325.db2.gz VBLNAEHLOONAAZ-SIKLNZKXSA-N 2 0 421.601 3.698 20 0 HHADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000434313606 980074436 /nfs/dbraw/zinc/07/44/36/980074436.db2.gz AVBAWMFHGXLFTB-UNMCSNQZSA-N 2 0 409.578 3.842 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000434624730 980304960 /nfs/dbraw/zinc/30/49/60/980304960.db2.gz RKJPAUFRQRYOOO-UHFFFAOYSA-N 2 0 411.974 3.740 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000435781541 981028654 /nfs/dbraw/zinc/02/86/54/981028654.db2.gz KYRQDMONCFOFBD-UHFFFAOYSA-N 2 0 407.606 3.889 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436399229 981348638 /nfs/dbraw/zinc/34/86/38/981348638.db2.gz ILKRJISRIIJDQO-TZIWHRDSSA-N 2 0 413.528 3.792 20 0 HHADRP O=C(c1ccccc1O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000436908561 981613739 /nfs/dbraw/zinc/61/37/39/981613739.db2.gz JNVBDBWUUBTDAB-NUNAXRQHSA-N 2 0 419.569 3.782 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000448221358 981636253 /nfs/dbraw/zinc/63/62/53/981636253.db2.gz YFUGXEHIVAWQPS-HXUWFJFHSA-N 2 0 406.640 3.627 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448468581 981807191 /nfs/dbraw/zinc/80/71/91/981807191.db2.gz VIJZZKXPQPGEFO-LADGPHEKSA-N 2 0 410.606 3.831 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000448475403 981818305 /nfs/dbraw/zinc/81/83/05/981818305.db2.gz SOXOGNLOMRYLCT-QFIPXVFZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000460161209 981933911 /nfs/dbraw/zinc/93/39/11/981933911.db2.gz KXDWLJSMDXXAOV-RPBOFIJWSA-N 2 0 420.601 3.802 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000460164587 981937152 /nfs/dbraw/zinc/93/71/52/981937152.db2.gz DFVVDWPBRIZZFH-RPWUZVMVSA-N 2 0 412.622 3.662 20 0 HHADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000460185650 981959143 /nfs/dbraw/zinc/95/91/43/981959143.db2.gz CTIWOHLSGXLVMI-UHFFFAOYSA-N 2 0 422.013 3.812 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000460403539 982184628 /nfs/dbraw/zinc/18/46/28/982184628.db2.gz ROJQMABVCUNKCE-XZOQPEGZSA-N 2 0 400.611 3.659 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460472874 982265927 /nfs/dbraw/zinc/26/59/27/982265927.db2.gz ZLKDIZHHPNGJPA-FGZHOGPDSA-N 2 0 410.606 3.557 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000437945626 982478163 /nfs/dbraw/zinc/47/81/63/982478163.db2.gz CWNDSESSVFBDOQ-HNNXBMFYSA-N 2 0 404.452 3.724 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000438159166 982622277 /nfs/dbraw/zinc/62/22/77/982622277.db2.gz YAVZMBLHJSYYFR-HSZRJFAPSA-N 2 0 422.658 3.564 20 0 HHADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096800 /nfs/dbraw/zinc/09/68/00/983096800.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 2 0 403.570 3.632 20 0 HHADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097053 /nfs/dbraw/zinc/09/70/53/983097053.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 2 0 403.570 3.632 20 0 HHADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443379 983108058 /nfs/dbraw/zinc/10/80/58/983108058.db2.gz ARPUYQCAOHWZDA-JIMJEQGWSA-N 2 0 417.597 3.879 20 0 HHADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461446675 983111527 /nfs/dbraw/zinc/11/15/27/983111527.db2.gz LGWDIEQKFINQDK-RBBKRZOGSA-N 2 0 423.523 3.775 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438965970 983183105 /nfs/dbraw/zinc/18/31/05/983183105.db2.gz LUDCDSLNHITOFR-HXUWFJFHSA-N 2 0 423.605 3.948 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000438974888 983189304 /nfs/dbraw/zinc/18/93/04/983189304.db2.gz PSNCSJNQBCPAND-HXUWFJFHSA-N 2 0 421.589 3.702 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000439083216 983242371 /nfs/dbraw/zinc/24/23/71/983242371.db2.gz GGNSQLMRSNNIFV-YADARESESA-N 2 0 424.589 3.683 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197785 983305775 /nfs/dbraw/zinc/30/57/75/983305775.db2.gz JCHPQPOQWPGDHR-RDPSFJRHSA-N 2 0 421.589 3.743 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230501 983320531 /nfs/dbraw/zinc/32/05/31/983320531.db2.gz SAOLMVHWKIZKHE-ICSRJNTNSA-N 2 0 400.592 3.657 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000439249973 983331619 /nfs/dbraw/zinc/33/16/19/983331619.db2.gz LFZAGWAKQIKREM-GOSISDBHSA-N 2 0 406.621 3.720 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000439448455 983414175 /nfs/dbraw/zinc/41/41/75/983414175.db2.gz ZKPHOBPNPUZQJG-CTNGQTDRSA-N 2 0 414.619 3.874 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(F)cc1 ZINC000439608819 983470001 /nfs/dbraw/zinc/47/00/01/983470001.db2.gz BTNZZXUFQBYKKG-SFHVURJKSA-N 2 0 409.505 3.845 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000440179515 983671604 /nfs/dbraw/zinc/67/16/04/983671604.db2.gz PCOJWPMVMYZISV-XZOQPEGZSA-N 2 0 415.626 3.588 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440332318 983726181 /nfs/dbraw/zinc/72/61/81/983726181.db2.gz AAFBOXSEUQYDHF-UHFFFAOYSA-N 2 0 407.587 3.632 20 0 HHADRP C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441072112 984055836 /nfs/dbraw/zinc/05/58/36/984055836.db2.gz SALUYFFGHPQJSN-HRFSGMKKSA-N 2 0 417.597 3.808 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249377 984137591 /nfs/dbraw/zinc/13/75/91/984137591.db2.gz YKXCWRHJEARMQR-FHLIZLRMSA-N 2 0 400.350 3.506 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270452 984150443 /nfs/dbraw/zinc/15/04/43/984150443.db2.gz UIPYMHSULWZRKJ-CKUXNOBLSA-N 2 0 423.557 3.991 20 0 HHADRP C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612788 984355698 /nfs/dbraw/zinc/35/56/98/984355698.db2.gz PCPMGQAPLUOHON-RBBKRZOGSA-N 2 0 402.966 3.671 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000441616488 984357672 /nfs/dbraw/zinc/35/76/72/984357672.db2.gz VTDDZVSSHQZJRM-GRERDSQWSA-N 2 0 411.512 3.678 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000442014674 984594846 /nfs/dbraw/zinc/59/48/46/984594846.db2.gz SZCLTDBIDAWPKF-HXUWFJFHSA-N 2 0 400.592 3.607 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000442240902 984762064 /nfs/dbraw/zinc/76/20/64/984762064.db2.gz JAVDEKPFVKZHFZ-SDXIKQIGSA-N 2 0 400.611 3.801 20 0 HHADRP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)[NH+](CC)CC ZINC000461886514 984910326 /nfs/dbraw/zinc/91/03/26/984910326.db2.gz VRZDQCQDLSUNAZ-RUZDIDTESA-N 2 0 422.617 3.745 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462117535 985086856 /nfs/dbraw/zinc/08/68/56/985086856.db2.gz BSVLXPSZLYXBQE-HXUWFJFHSA-N 2 0 415.572 3.982 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532003 985480523 /nfs/dbraw/zinc/48/05/23/985480523.db2.gz XZPJQMQMJKICHY-HYBUGGRVSA-N 2 0 406.574 3.602 20 0 HHADRP Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467923962 985556910 /nfs/dbraw/zinc/55/69/10/985556910.db2.gz DTSDRGBQQAUVDE-OAQYLSRUSA-N 2 0 410.562 3.579 20 0 HHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000443414008 985570193 /nfs/dbraw/zinc/57/01/93/985570193.db2.gz DYHMESDHYOIAPE-UHFFFAOYSA-N 2 0 413.528 3.930 20 0 HHADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000468060799 985719074 /nfs/dbraw/zinc/71/90/74/985719074.db2.gz SRIXPSLLVNFFJJ-DNVJHFABSA-N 2 0 409.574 3.988 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801257 985734138 /nfs/dbraw/zinc/73/41/38/985734138.db2.gz BLSAKQRDHYMQOE-XPWALMASSA-N 2 0 419.585 3.604 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000462807158 985738324 /nfs/dbraw/zinc/73/83/24/985738324.db2.gz WXEBDUMOQOVWJF-GOSISDBHSA-N 2 0 403.464 3.647 20 0 HHADRP C[C@@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000462816827 985743631 /nfs/dbraw/zinc/74/36/31/985743631.db2.gz MFZZDIVNYMKROE-WIOPSUGQSA-N 3 0 418.645 3.852 20 0 HHADRP C[C@@H](C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000462816824 985743797 /nfs/dbraw/zinc/74/37/97/985743797.db2.gz MFZZDIVNYMKROE-DHLKQENFSA-N 3 0 418.645 3.852 20 0 HHADRP NC(=O)c1ccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC000443597938 985774235 /nfs/dbraw/zinc/77/42/35/985774235.db2.gz GEGVDDDEKOKHTL-UHFFFAOYSA-N 2 0 412.603 3.997 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635395 985817145 /nfs/dbraw/zinc/81/71/45/985817145.db2.gz YCWJHWSSSYWQHN-URXFXBBRSA-N 2 0 414.638 3.703 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000443698065 985911061 /nfs/dbraw/zinc/91/10/61/985911061.db2.gz ZIRZMHZTNQOSDR-MRXNPFEDSA-N 2 0 416.532 3.755 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000463052016 986010673 /nfs/dbraw/zinc/01/06/73/986010673.db2.gz JSLJVBVFRKUKNA-UHFFFAOYSA-N 2 0 409.578 3.859 20 0 HHADRP c1ccc(CCN2CCC([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000463076311 986033136 /nfs/dbraw/zinc/03/31/36/986033136.db2.gz WQTSRJQMHHHNJI-UHFFFAOYSA-N 2 0 420.645 3.886 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)C1 ZINC000468377804 986077260 /nfs/dbraw/zinc/07/72/60/986077260.db2.gz REGLJMGWHIBMDJ-NRFANRHFSA-N 2 0 420.601 3.918 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000444035235 986232451 /nfs/dbraw/zinc/23/24/51/986232451.db2.gz JCNBBZQLUPMVQO-HKUYNNGSSA-N 2 0 422.017 3.818 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463272487 986239921 /nfs/dbraw/zinc/23/99/21/986239921.db2.gz QNKIEUYDNREWLR-SQJMNOBHSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000468861291 986570934 /nfs/dbraw/zinc/57/09/34/986570934.db2.gz FEKJRAIMNHDMHK-BRWVUGGUSA-N 2 0 405.384 3.780 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000444558958 986750866 /nfs/dbraw/zinc/75/08/66/986750866.db2.gz WQNYMQWQVWOYLH-UHFFFAOYSA-N 2 0 407.558 3.739 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604133 986790833 /nfs/dbraw/zinc/79/08/33/986790833.db2.gz ZWZROUKWMIXLAX-CLJLJLNGSA-N 2 0 417.597 3.948 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000444738233 986906403 /nfs/dbraw/zinc/90/64/03/986906403.db2.gz RRXAXBVAKYXBCU-KXBFYZLASA-N 2 0 404.352 3.519 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206449 986929738 /nfs/dbraw/zinc/92/97/38/986929738.db2.gz WQCFKQUSBKUMNH-JOCHJYFZSA-N 2 0 407.549 3.900 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469567347 987236049 /nfs/dbraw/zinc/23/60/49/987236049.db2.gz RGGJNHXSJDDKDE-DEOSSOPVSA-N 2 0 423.605 3.754 20 0 HHADRP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469797320 987440318 /nfs/dbraw/zinc/44/03/18/987440318.db2.gz PGSBIOFYKQIDCH-PMACEKPBSA-N 2 0 407.649 3.828 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469979883 987597001 /nfs/dbraw/zinc/59/70/01/987597001.db2.gz BHQAXCPWUMEHHR-RUZDIDTESA-N 2 0 421.585 3.832 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062957 988184960 /nfs/dbraw/zinc/18/49/60/988184960.db2.gz SKSKFGZXKVALQL-XPWALMASSA-N 2 0 416.606 3.861 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470497642 988491041 /nfs/dbraw/zinc/49/10/41/988491041.db2.gz QPCUCFIMCKMIIO-HYBUGGRVSA-N 2 0 423.605 3.867 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729916 988760171 /nfs/dbraw/zinc/76/01/71/988760171.db2.gz MOPQXDJQIWHZPT-BWKNWUBXSA-N 2 0 420.601 3.739 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470738008 988773995 /nfs/dbraw/zinc/77/39/95/988773995.db2.gz RTPGDPXIKPWDTB-NQIIRXRSSA-N 2 0 404.986 3.604 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738472 988774621 /nfs/dbraw/zinc/77/46/21/988774621.db2.gz UQOHPESREWGJKE-DENIHFKCSA-N 2 0 419.013 3.850 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738018 988775253 /nfs/dbraw/zinc/77/52/53/988775253.db2.gz RTUPOORHIKECDX-RDPSFJRHSA-N 2 0 412.622 3.792 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000470742151 988781167 /nfs/dbraw/zinc/78/11/67/988781167.db2.gz GHOPWALDSVPSOI-QHCPKHFHSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755987 988797600 /nfs/dbraw/zinc/79/76/00/988797600.db2.gz NPLDVYFCJCDDQO-UXHICEINSA-N 2 0 404.624 3.648 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000470891236 988963865 /nfs/dbraw/zinc/96/38/65/988963865.db2.gz YTCBKFPRVCWMNX-ZJOUEHCJSA-N 2 0 404.624 3.504 20 0 HHADRP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900626 988975559 /nfs/dbraw/zinc/97/55/59/988975559.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 2 0 408.590 3.813 20 0 HHADRP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772579 988997165 /nfs/dbraw/zinc/99/71/65/988997165.db2.gz HUGTZBWGKGENMU-PMACEKPBSA-N 2 0 407.649 3.780 20 0 HHADRP CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CC1CCN(c2ccccn2)CC1 ZINC000464805243 989034538 /nfs/dbraw/zinc/03/45/38/989034538.db2.gz LWMJXWXTGGTNSI-FQEVSTJZSA-N 2 0 403.954 3.713 20 0 HHADRP COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471019917 989091361 /nfs/dbraw/zinc/09/13/61/989091361.db2.gz DJZBLGYWIPNSFC-KDURUIRLSA-N 2 0 413.949 3.741 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178860 989308836 /nfs/dbraw/zinc/30/88/36/989308836.db2.gz PSDWFNIPYXXYMX-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018047 989337101 /nfs/dbraw/zinc/33/71/01/989337101.db2.gz ZAECHPBYZIEAFM-WIYYLYMNSA-N 2 0 407.002 3.754 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211043 989560214 /nfs/dbraw/zinc/56/02/14/989560214.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 2 0 411.512 3.535 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471496055 989693937 /nfs/dbraw/zinc/69/39/37/989693937.db2.gz KONGDWHMWJCOOW-ISKFKSNPSA-N 2 0 406.574 3.645 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000465354714 989703836 /nfs/dbraw/zinc/70/38/36/989703836.db2.gz CNZMESKGFXAXTE-UHFFFAOYSA-N 2 0 401.595 3.636 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509105 989707402 /nfs/dbraw/zinc/70/74/02/989707402.db2.gz ZBFKXVUNPNFPNA-SFTDATJTSA-N 2 0 412.603 3.706 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCCC1 ZINC000471523979 989723048 /nfs/dbraw/zinc/72/30/48/989723048.db2.gz VFOPTZSJCTZLEK-UHFFFAOYSA-N 2 0 418.548 3.746 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000465433169 989779620 /nfs/dbraw/zinc/77/96/20/989779620.db2.gz MMPJQOSJAHKPDJ-RAFMOHDBSA-N 2 0 404.624 3.836 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000471581842 989785643 /nfs/dbraw/zinc/78/56/43/989785643.db2.gz RBVRRNBNSYJQBF-XLIONFOSSA-N 2 0 414.619 3.812 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000471581840 989785771 /nfs/dbraw/zinc/78/57/71/989785771.db2.gz RBVRRNBNSYJQBF-FXAWDEMLSA-N 2 0 414.619 3.812 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000471602204 989806400 /nfs/dbraw/zinc/80/64/00/989806400.db2.gz NKXMNBYXHUTHLX-RTWAWAEBSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000471610059 989813989 /nfs/dbraw/zinc/81/39/89/989813989.db2.gz DUVCNMSBHQYDKH-UGSOOPFHSA-N 2 0 400.792 3.705 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471619971 989825164 /nfs/dbraw/zinc/82/51/64/989825164.db2.gz QVBMXXUDPBLBJF-PLQXJYEYSA-N 2 0 420.601 3.800 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cc1 ZINC000471651321 989855231 /nfs/dbraw/zinc/85/52/31/989855231.db2.gz BWXLSARKAGEUBD-LJQANCHMSA-N 2 0 403.368 3.837 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000465519168 989871423 /nfs/dbraw/zinc/87/14/23/989871423.db2.gz GAZXOGIOPQNTAQ-MZKRTTBSSA-N 2 0 400.611 3.790 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524804 989880731 /nfs/dbraw/zinc/88/07/31/989880731.db2.gz DGKPYSQZSGIPED-NOZRDPDXSA-N 2 0 420.601 3.987 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000471681885 989885120 /nfs/dbraw/zinc/88/51/20/989885120.db2.gz BKFVYCBOEWNDHH-HXUWFJFHSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465530050 989889897 /nfs/dbraw/zinc/88/98/97/989889897.db2.gz YITVVNSSZFLXNV-VLVHOKLOSA-N 2 0 400.611 3.789 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713551 989911739 /nfs/dbraw/zinc/91/17/39/989911739.db2.gz FYPCQZDZMFGVRQ-CNXCKVANSA-N 2 0 418.548 3.601 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000465551989 989915150 /nfs/dbraw/zinc/91/51/50/989915150.db2.gz ABDQGQOGLHMZHG-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000465558320 989923302 /nfs/dbraw/zinc/92/33/02/989923302.db2.gz OPQYAIVNLCCZQU-NHCUHLMSSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729381 989924883 /nfs/dbraw/zinc/92/48/83/989924883.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 2 0 406.574 3.643 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000465569425 989937420 /nfs/dbraw/zinc/93/74/20/989937420.db2.gz MXJJMQVGBSEWQE-JOCHJYFZSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589814 989967186 /nfs/dbraw/zinc/96/71/86/989967186.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000465615431 990001936 /nfs/dbraw/zinc/00/19/36/990001936.db2.gz KMKQWMBEIKQLEG-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465617853 990004061 /nfs/dbraw/zinc/00/40/61/990004061.db2.gz DPLUOXJESIUMTF-RBBKRZOGSA-N 2 0 414.619 3.952 20 0 HHADRP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691079 990077110 /nfs/dbraw/zinc/07/71/10/990077110.db2.gz JBYIQDSEVOCEAQ-YADHBBJMSA-N 2 0 420.601 3.739 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695378 990081573 /nfs/dbraw/zinc/08/15/73/990081573.db2.gz SCDACMSVAAFIER-IFMALSPDSA-N 2 0 416.610 3.596 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711158 990096904 /nfs/dbraw/zinc/09/69/04/990096904.db2.gz GQLACGJOHPVKSC-GOTSBHOMSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465745157 990129988 /nfs/dbraw/zinc/12/99/88/990129988.db2.gz QMGAOISIARCUKH-NJYSJTHYSA-N 2 0 406.640 3.797 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001178 990169285 /nfs/dbraw/zinc/16/92/85/990169285.db2.gz GIXPNVVXDDWLLA-IEZKXTBUSA-N 2 0 420.601 3.718 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465787921 990169412 /nfs/dbraw/zinc/16/94/12/990169412.db2.gz UTLMKKMNOLIKNB-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819663 990203087 /nfs/dbraw/zinc/20/30/87/990203087.db2.gz VYJHOUUMZBUEGQ-WOJBJXKFSA-N 2 0 404.624 3.524 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465859638 990970733 /nfs/dbraw/zinc/97/07/33/990970733.db2.gz BQSIZVVSAWYRHD-QPPBQGQZSA-N 2 0 414.638 3.845 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000465890880 991016034 /nfs/dbraw/zinc/01/60/34/991016034.db2.gz AMTKZLZFRSRCAG-GOTSBHOMSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)nc1 ZINC000465956003 991096840 /nfs/dbraw/zinc/09/68/40/991096840.db2.gz NWZDEPQMYSPYHY-HXUWFJFHSA-N 2 0 421.589 3.884 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466085941 991264259 /nfs/dbraw/zinc/26/42/59/991264259.db2.gz STOXPIUMCZQJLD-UNMCSNQZSA-N 2 0 414.619 3.904 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466437289 991726129 /nfs/dbraw/zinc/72/61/29/991726129.db2.gz AEWVOCQNRBJSFX-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000467203672 992528982 /nfs/dbraw/zinc/52/89/82/992528982.db2.gz WXTJKIIHUUJYTL-SFTDATJTSA-N 2 0 423.601 3.982 20 0 HHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000467370812 992688569 /nfs/dbraw/zinc/68/85/69/992688569.db2.gz RWBUZNWTVQCFCB-GOSISDBHSA-N 2 0 421.511 3.618 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000467384582 992699779 /nfs/dbraw/zinc/69/97/79/992699779.db2.gz XABVCZZEPDFUDH-QGZVFWFLSA-N 2 0 406.496 3.963 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467403610 992710855 /nfs/dbraw/zinc/71/08/55/992710855.db2.gz WYHQWQBEZYARPM-NRFANRHFSA-N 2 0 424.427 3.534 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000467544710 992824181 /nfs/dbraw/zinc/82/41/81/992824181.db2.gz XAGXZXXPFFYMGD-JOCHJYFZSA-N 2 0 420.601 3.541 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000467840545 993071964 /nfs/dbraw/zinc/07/19/64/993071964.db2.gz IEGHICMTEZWDGQ-KRWDZBQOSA-N 2 0 403.368 3.707 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467840743 993072298 /nfs/dbraw/zinc/07/22/98/993072298.db2.gz RYAXPXJACKTGCE-IBGZPJMESA-N 2 0 415.603 3.774 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000472134022 993186288 /nfs/dbraw/zinc/18/62/88/993186288.db2.gz FIKQUBAQEBYMKU-OAHLLOKOSA-N 2 0 412.525 3.945 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472297204 993310825 /nfs/dbraw/zinc/31/08/25/993310825.db2.gz KKZRMPCQHJPAPS-HSZRJFAPSA-N 2 0 408.590 3.718 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000472485988 993488768 /nfs/dbraw/zinc/48/87/68/993488768.db2.gz ILQOJNDGVPZMOK-ISKFKSNPSA-N 2 0 423.605 3.537 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724202 993592231 /nfs/dbraw/zinc/59/22/31/993592231.db2.gz AVVSARSSYVLUJM-JOCHJYFZSA-N 2 0 422.617 3.512 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(SC)c(OC)c3)cn2)CC1 ZINC000480725496 993592945 /nfs/dbraw/zinc/59/29/45/993592945.db2.gz KEJWFTBLGYODGD-QGZVFWFLSA-N 2 0 400.592 3.805 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000480735537 993601599 /nfs/dbraw/zinc/60/15/99/993601599.db2.gz KUHJJOJNJJYOAQ-XMMPIXPASA-N 2 0 409.574 3.836 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(OC(F)(F)F)cc43)cn2)CC1 ZINC000480737640 993603521 /nfs/dbraw/zinc/60/35/21/993603521.db2.gz JIGUAXZSBZWSEO-HXUWFJFHSA-N 2 0 420.479 3.899 20 0 HHADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000480738119 993604694 /nfs/dbraw/zinc/60/46/94/993604694.db2.gz JWOPOOOVHAFELL-AWEZNQCLSA-N 2 0 410.896 3.939 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(OC)cc43)cc2)CC1 ZINC000480739370 993605883 /nfs/dbraw/zinc/60/58/83/993605883.db2.gz MUFGGBVTNFHZGK-XMMPIXPASA-N 2 0 409.574 3.836 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777333 993643682 /nfs/dbraw/zinc/64/36/82/993643682.db2.gz HSDHJDYPOSEAES-RXVVDRJESA-N 3 0 412.544 3.537 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779416 993645730 /nfs/dbraw/zinc/64/57/30/993645730.db2.gz KODJUDJDLOCLRR-BWKNWUBXSA-N 2 0 420.601 3.843 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000480779419 993646214 /nfs/dbraw/zinc/64/62/14/993646214.db2.gz KODJUDJDLOCLRR-SQJMNOBHSA-N 2 0 420.601 3.843 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780545 993647051 /nfs/dbraw/zinc/64/70/51/993647051.db2.gz QUMRUYGVYHDMHN-RZFJZAQRSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+]1C ZINC000480781104 993648763 /nfs/dbraw/zinc/64/87/63/993648763.db2.gz SPUBOKNTBMTCLB-UYAOXDASSA-N 3 0 412.544 3.680 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000472765176 993704955 /nfs/dbraw/zinc/70/49/55/993704955.db2.gz CZDCELVCNZIXKK-LJQANCHMSA-N 2 0 408.384 3.974 20 0 HHADRP CCS[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954598 993794975 /nfs/dbraw/zinc/79/49/75/993794975.db2.gz HGNITLOJGFTNMH-QFIPXVFZSA-N 2 0 403.636 3.683 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192324 994025318 /nfs/dbraw/zinc/02/53/18/994025318.db2.gz SLUAEQSUSPAEEL-PIPMEXSNSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305461 994122102 /nfs/dbraw/zinc/12/21/02/994122102.db2.gz GKUALWJKVUZPPD-ROUUACIJSA-N 2 0 404.514 3.942 20 0 HHADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331580 994151348 /nfs/dbraw/zinc/15/13/48/994151348.db2.gz HLXYNLQBXWXWCZ-OALUTQOASA-N 2 0 403.592 3.637 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000481584490 994426962 /nfs/dbraw/zinc/42/69/62/994426962.db2.gz TVODICDFGYITSG-JTHBVZDNSA-N 2 0 418.622 3.778 20 0 HHADRP O=C(CC1(CSc2ccccc2)CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000473719447 994613102 /nfs/dbraw/zinc/61/31/02/994613102.db2.gz GBIQCCIMDRUDDA-UHFFFAOYSA-N 2 0 424.614 3.673 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824155 994753091 /nfs/dbraw/zinc/75/30/91/994753091.db2.gz UHLZRYBTZHWWFX-OAQYLSRUSA-N 2 0 423.605 3.861 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827122 994757091 /nfs/dbraw/zinc/75/70/91/994757091.db2.gz HEFULTRMYRKIEM-OYRHEFFESA-N 2 0 415.626 3.708 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH+](C4CCC(C)CC4)CC3)c2)CC1 ZINC000473840836 994776296 /nfs/dbraw/zinc/77/62/96/994776296.db2.gz QTJICBBXDIYMAB-UHFFFAOYSA-N 2 0 413.610 3.557 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000473870870 994811549 /nfs/dbraw/zinc/81/15/49/994811549.db2.gz FIKXQVCUDQAOTP-WMZOPIPTSA-N 2 0 404.530 3.690 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474048449 995038371 /nfs/dbraw/zinc/03/83/71/995038371.db2.gz WTBXOYZKTJIJHO-LMHXZZLNSA-N 2 0 412.622 3.981 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474048450 995038411 /nfs/dbraw/zinc/03/84/11/995038411.db2.gz WTBXOYZKTJIJHO-TUUBTQOTSA-N 2 0 412.622 3.981 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071960 995058417 /nfs/dbraw/zinc/05/84/17/995058417.db2.gz HNUHIAPUOJZSOV-GBXCKJPGSA-N 2 0 421.585 3.905 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000482124333 995072477 /nfs/dbraw/zinc/07/24/77/995072477.db2.gz JCJAYWQKVNGXPC-QGZVFWFLSA-N 2 0 408.468 3.843 20 0 HHADRP COc1c(Br)cccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000482143243 995094103 /nfs/dbraw/zinc/09/41/03/995094103.db2.gz OLJVMKWQEQRJTK-UHFFFAOYSA-N 2 0 411.384 3.782 20 0 HHADRP COC(=O)c1ccc(COc2ccc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc2OC)o1 ZINC000482197289 995175848 /nfs/dbraw/zinc/17/58/48/995175848.db2.gz HOAUNDGINOZQJH-ROUUACIJSA-N 2 0 416.518 3.616 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000482243642 995224824 /nfs/dbraw/zinc/22/48/24/995224824.db2.gz OKARSLSBOZLHGY-LJQANCHMSA-N 2 0 403.979 3.958 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482356336 995336465 /nfs/dbraw/zinc/33/64/65/995336465.db2.gz KBONNCNMDXUPDI-LJQANCHMSA-N 2 0 410.400 3.526 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000482455074 995456135 /nfs/dbraw/zinc/45/61/35/995456135.db2.gz FTLIQTXJOGZUIW-DSKINZAPSA-N 2 0 424.427 3.754 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000482470044 995474671 /nfs/dbraw/zinc/47/46/71/995474671.db2.gz XSPORCKHBAJSRU-RUZDIDTESA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000474518972 995482385 /nfs/dbraw/zinc/48/23/85/995482385.db2.gz WTYULBZKTWMCCJ-BSRHZMJTSA-N 2 0 422.617 3.916 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000474527381 995492797 /nfs/dbraw/zinc/49/27/97/995492797.db2.gz XIMZWMIXPYFMHZ-TXTKFYIRSA-N 2 0 412.622 3.516 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482508885 995518993 /nfs/dbraw/zinc/51/89/93/995518993.db2.gz KAEUIDYIXYTEPE-MAUKXSAKSA-N 2 0 412.441 3.849 20 0 HHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000482540423 995548604 /nfs/dbraw/zinc/54/86/04/995548604.db2.gz DGZDKLOEBHLDES-GDBMZVCRSA-N 2 0 403.514 3.579 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000482543533 995551675 /nfs/dbraw/zinc/55/16/75/995551675.db2.gz OFBDHSYELPKUHU-GOSISDBHSA-N 2 0 407.624 3.680 20 0 HHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545833 995554142 /nfs/dbraw/zinc/55/41/42/995554142.db2.gz ZZSIUXHJRJQHRJ-NZQKXSOJSA-N 2 0 409.574 3.812 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554734 995561750 /nfs/dbraw/zinc/56/17/50/995561750.db2.gz MLEYDCSZLUDACK-QFQXNSOFSA-N 3 0 407.602 3.644 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000474615251 995567073 /nfs/dbraw/zinc/56/70/73/995567073.db2.gz QCSIDGSYYWYGAG-PLUPDXBSSA-N 2 0 402.579 3.897 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(OC)c1OC ZINC000482563511 995569200 /nfs/dbraw/zinc/56/92/00/995569200.db2.gz WMDXMKHANJVHGG-QGZVFWFLSA-N 2 0 414.546 3.520 20 0 HHADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482621720 995617476 /nfs/dbraw/zinc/61/74/76/995617476.db2.gz UCCFEAIFZKDBPU-OALUTQOASA-N 2 0 412.603 3.570 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474732772 995666809 /nfs/dbraw/zinc/66/68/09/995666809.db2.gz DDJICTKWSJAZCI-AWEZNQCLSA-N 2 0 422.333 3.831 20 0 HHADRP CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475003582 995860037 /nfs/dbraw/zinc/86/00/37/995860037.db2.gz PEBFTSGLXHADFR-JOCHJYFZSA-N 2 0 424.593 3.587 20 0 HHADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000475050298 995891693 /nfs/dbraw/zinc/89/16/93/995891693.db2.gz VARZNOKRQIAYDB-GHTZIAJQSA-N 2 0 411.512 3.936 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475165245 995965260 /nfs/dbraw/zinc/96/52/60/995965260.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475171225 995969668 /nfs/dbraw/zinc/96/96/68/995969668.db2.gz DAOVPPXWINEYOZ-XMMPIXPASA-N 2 0 421.589 3.604 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177580 995974375 /nfs/dbraw/zinc/97/43/75/995974375.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 2 0 400.611 3.947 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000483145679 996001576 /nfs/dbraw/zinc/00/15/76/996001576.db2.gz PEQKZLCNADLQPF-NRFANRHFSA-N 2 0 401.526 3.595 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483199151 996033113 /nfs/dbraw/zinc/03/31/13/996033113.db2.gz RUCTWECZWSOTIB-HXUWFJFHSA-N 2 0 401.620 3.871 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266035 996033897 /nfs/dbraw/zinc/03/38/97/996033897.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 2 0 420.601 3.955 20 0 HHADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000483201098 996034048 /nfs/dbraw/zinc/03/40/48/996034048.db2.gz OJMGHFKOCOBIDE-DYESRHJHSA-N 2 0 421.607 3.775 20 0 HHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000483220483 996044562 /nfs/dbraw/zinc/04/45/62/996044562.db2.gz OSCYKMVAFUGMNJ-MRXNPFEDSA-N 2 0 424.427 3.926 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290196 996048201 /nfs/dbraw/zinc/04/82/01/996048201.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 2 0 420.601 3.813 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000483280207 996077936 /nfs/dbraw/zinc/07/79/36/996077936.db2.gz BXAZDMDDHQHILC-NRFANRHFSA-N 2 0 400.567 3.704 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c(C)c2)CC1 ZINC000483436705 996177945 /nfs/dbraw/zinc/17/79/45/996177945.db2.gz DRGIRUDZJNDGDH-UHFFFAOYSA-N 2 0 413.610 3.665 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@H]1C ZINC000483526931 996233734 /nfs/dbraw/zinc/23/37/34/996233734.db2.gz BGVGGBODMNSYOA-NWSQWKLXSA-N 2 0 416.610 3.736 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1OC(F)F ZINC000483538929 996239614 /nfs/dbraw/zinc/23/96/14/996239614.db2.gz AJUJINRKCFOEDR-QGZVFWFLSA-N 2 0 411.537 3.898 20 0 HHADRP OC[C@@]1(Cc2ccccc2)CCC[NH+]1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668417 996288660 /nfs/dbraw/zinc/28/86/60/996288660.db2.gz QTISGTIDNITHFG-SVBPBHIXSA-N 2 0 422.613 3.516 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483680697 996325146 /nfs/dbraw/zinc/32/51/46/996325146.db2.gz JKURKYHQZKXGKE-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727018 996326696 /nfs/dbraw/zinc/32/66/96/996326696.db2.gz BRIGFQAPHRIBGC-ZCYQVOJMSA-N 2 0 412.549 3.691 20 0 HHADRP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729537 996329339 /nfs/dbraw/zinc/32/93/39/996329339.db2.gz NNFIVTOXAUVPCW-GMAHTHKFSA-N 2 0 400.588 3.614 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705950 996339462 /nfs/dbraw/zinc/33/94/62/996339462.db2.gz DDIOXJQQPUQPKK-RCZSKKKRSA-N 2 0 404.599 3.592 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1C ZINC000483715162 996345139 /nfs/dbraw/zinc/34/51/39/996345139.db2.gz WLQJYZRQCPPZBI-DZFGPLHGSA-N 2 0 407.002 3.991 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475801054 996379211 /nfs/dbraw/zinc/37/92/11/996379211.db2.gz ZASOCUORFGDIAV-GOSISDBHSA-N 2 0 401.580 3.690 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814924 996405471 /nfs/dbraw/zinc/40/54/71/996405471.db2.gz HCZXCNZOQYKJHE-ZWOKBUDYSA-N 2 0 413.400 3.943 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000475914530 996467987 /nfs/dbraw/zinc/46/79/87/996467987.db2.gz ADILSYSKLRBCDQ-UHFFFAOYSA-N 2 0 408.546 3.840 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483970961 996498913 /nfs/dbraw/zinc/49/89/13/996498913.db2.gz GNCIEXDDVDCDHG-ZJSXRUAMSA-N 2 0 420.601 3.861 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000483998406 996513915 /nfs/dbraw/zinc/51/39/15/996513915.db2.gz CDIVNCIWVGXFCC-XMMPIXPASA-N 2 0 421.585 3.503 20 0 HHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000484293341 996683913 /nfs/dbraw/zinc/68/39/13/996683913.db2.gz KQFXHAOVJITYBN-LJQANCHMSA-N 2 0 407.624 3.635 20 0 HHADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484493941 996817049 /nfs/dbraw/zinc/81/70/49/996817049.db2.gz DBOWFVLFTVEABP-FHWLQOOXSA-N 2 0 415.603 3.865 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484711803 997050631 /nfs/dbraw/zinc/05/06/31/997050631.db2.gz BDFHBMNPLFBBLR-VQIMIIECSA-N 2 0 414.516 3.681 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000476575782 997076085 /nfs/dbraw/zinc/07/60/85/997076085.db2.gz ZYQRISXNDWHSRI-NHYNNZIHSA-N 2 0 424.564 3.923 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968315 997340353 /nfs/dbraw/zinc/34/03/53/997340353.db2.gz FNUFZSATDIBDEP-IHPCNDPISA-N 2 0 400.592 3.561 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000476849597 997416604 /nfs/dbraw/zinc/41/66/04/997416604.db2.gz VFIBBEDCJDFBQK-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000485075126 997444441 /nfs/dbraw/zinc/44/44/41/997444441.db2.gz JJPMKQJMZPDCAR-UHFFFAOYSA-N 2 0 401.595 3.765 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476924149 997536938 /nfs/dbraw/zinc/53/69/38/997536938.db2.gz FESKDBVLXFELGQ-UTKZUKDTSA-N 2 0 404.986 3.573 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)c2cc1C ZINC000476983232 997607108 /nfs/dbraw/zinc/60/71/08/997607108.db2.gz KPXIMVCWSLINQK-GGAORHGYSA-N 2 0 412.622 3.991 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000476988683 997614538 /nfs/dbraw/zinc/61/45/38/997614538.db2.gz SYGUXNIAOHRXOF-SFHVURJKSA-N 2 0 401.551 3.720 20 0 HHADRP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476995398 997624027 /nfs/dbraw/zinc/62/40/27/997624027.db2.gz NLDXILJEKIETCO-OALUTQOASA-N 2 0 403.636 3.998 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343552 997762829 /nfs/dbraw/zinc/76/28/29/997762829.db2.gz HOICMOQHWZJXQJ-CVDCTZTESA-N 2 0 410.537 3.723 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000485391835 997819873 /nfs/dbraw/zinc/81/98/73/997819873.db2.gz YOGFIETULQMXOJ-LJQANCHMSA-N 2 0 407.002 3.535 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000477298199 997984891 /nfs/dbraw/zinc/98/48/91/997984891.db2.gz KNELEHOZIQTNDL-NHYNNZIHSA-N 2 0 410.606 3.842 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477534399 998253249 /nfs/dbraw/zinc/25/32/49/998253249.db2.gz JSPNJCARWBJDMT-IBGZPJMESA-N 2 0 415.603 3.601 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000477757422 998504557 /nfs/dbraw/zinc/50/45/57/998504557.db2.gz ULMQKBSIKZGHER-UHFFFAOYSA-N 2 0 416.525 3.704 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486142743 998591659 /nfs/dbraw/zinc/59/16/59/998591659.db2.gz CUSNNNUHYKEPGJ-HSZRJFAPSA-N 2 0 421.589 3.607 20 0 HHADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000477909239 998649402 /nfs/dbraw/zinc/64/94/02/998649402.db2.gz DJOCSRSBMDYBFL-LIONHTAISA-N 2 0 403.570 3.596 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300521 998702191 /nfs/dbraw/zinc/70/21/91/998702191.db2.gz TXUTVTMWJREHBU-KHUIQGCPSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCOC2(C1)CCCCCC2 ZINC000478060884 998742650 /nfs/dbraw/zinc/74/26/50/998742650.db2.gz OQJUAUXRROAACY-OAQYLSRUSA-N 2 0 413.606 3.581 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472021 998784790 /nfs/dbraw/zinc/78/47/90/998784790.db2.gz AWUBACZJTXLBEW-NFBKMPQASA-N 2 0 412.622 3.851 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000478326538 998889948 /nfs/dbraw/zinc/88/99/48/998889948.db2.gz MUMZTXVIWGBHNB-UHFFFAOYSA-N 2 0 421.545 3.672 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000478408802 998942087 /nfs/dbraw/zinc/94/20/87/998942087.db2.gz BFIYVDNIWXGIIG-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000486977457 999025021 /nfs/dbraw/zinc/02/50/21/999025021.db2.gz OZHUIKIGLXLBQE-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000487006434 999033702 /nfs/dbraw/zinc/03/37/02/999033702.db2.gz FLOGKBNSGSANHM-NRFANRHFSA-N 2 0 400.567 3.549 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000487024706 999039811 /nfs/dbraw/zinc/03/98/11/999039811.db2.gz ADNAMLYLFKREKD-OYDLWJJNSA-N 2 0 408.590 3.808 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487213452 999098840 /nfs/dbraw/zinc/09/88/40/999098840.db2.gz VJVGXOXWSLVHNR-QTGUNEKASA-N 2 0 412.553 3.638 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830376 999164358 /nfs/dbraw/zinc/16/43/58/999164358.db2.gz KHKKYOGSWAONNX-UGKGYDQZSA-N 2 0 412.578 3.715 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000478935578 999213186 /nfs/dbraw/zinc/21/31/86/999213186.db2.gz YNEFHSLYAWJROL-HYBUGGRVSA-N 2 0 408.590 3.950 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000479065385 999277093 /nfs/dbraw/zinc/27/70/93/999277093.db2.gz HMKWJCSPLFDDKL-LLGFUMIMSA-N 2 0 408.428 3.936 20 0 HHADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000479342499 999394798 /nfs/dbraw/zinc/39/47/98/999394798.db2.gz HTMCWDDBNJGSKY-RUZDIDTESA-N 2 0 415.585 3.910 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479365324 999405653 /nfs/dbraw/zinc/40/56/53/999405653.db2.gz VPHODMQVHJCCEB-VQTJNVASSA-N 2 0 412.391 3.901 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)N1CC[NH+](C)CC1 ZINC000479365322 999405800 /nfs/dbraw/zinc/40/58/00/999405800.db2.gz VPHODMQVHJCCEB-UXHICEINSA-N 2 0 412.391 3.901 20 0 HHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368549 999407149 /nfs/dbraw/zinc/40/71/49/999407149.db2.gz ZIJWFUNUWLNQDI-QWHCGFSZSA-N 2 0 410.411 3.802 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000488190286 999408803 /nfs/dbraw/zinc/40/88/03/999408803.db2.gz RQGUEJMDVPJCCP-NHCUHLMSSA-N 2 0 412.622 3.934 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)CC1 ZINC000488273075 999419391 /nfs/dbraw/zinc/41/93/91/999419391.db2.gz ODMWPPFKXPFMEI-GOTSBHOMSA-N 2 0 414.594 3.537 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000479442560 999419517 /nfs/dbraw/zinc/41/95/17/999419517.db2.gz DEXDOIQXVDDYIG-XMMPIXPASA-N 2 0 403.526 3.614 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1)Cc1ccccc1 ZINC000488329053 999442781 /nfs/dbraw/zinc/44/27/81/999442781.db2.gz GGRISSCJDUPRAZ-UHFFFAOYSA-N 2 0 422.548 3.767 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529160 999518928 /nfs/dbraw/zinc/51/89/28/999518928.db2.gz HDDONTKHQQSQIA-MZYLBHOOSA-N 2 0 400.611 3.564 20 0 HHADRP CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488609066 999544627 /nfs/dbraw/zinc/54/46/27/999544627.db2.gz HHRRAJGXNURSML-HXUWFJFHSA-N 2 0 409.574 3.686 20 0 HHADRP CC(C)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000480159945 999733638 /nfs/dbraw/zinc/73/36/38/999733638.db2.gz NHFMPDSUGSVZJU-AUSIDOKSSA-N 2 0 417.619 3.965 20 0 HHADRP CC1CCC([NH+]2CCN(CCCN3CC[NH+](C4CCC(C)CC4)CC3)CC2)CC1 ZINC000489328844 999746501 /nfs/dbraw/zinc/74/65/01/999746501.db2.gz OSTQSSGSDQBDDG-UHFFFAOYSA-N 2 0 404.687 3.769 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747270 /nfs/dbraw/zinc/74/72/70/999747270.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 2 0 420.601 3.957 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)c1 ZINC000480228944 999750902 /nfs/dbraw/zinc/75/09/02/999750902.db2.gz RZLSKUPIIRKNST-PBBNMVCDSA-N 2 0 413.631 3.985 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000489403529 999759713 /nfs/dbraw/zinc/75/97/13/999759713.db2.gz NSQNZGHSPRUZRH-DEOSSOPVSA-N 2 0 408.590 3.904 20 0 HHADRP c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000489458329 999771695 /nfs/dbraw/zinc/77/16/95/999771695.db2.gz QVMDMOBJOLKAST-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489491228 999777427 /nfs/dbraw/zinc/77/74/27/999777427.db2.gz CDZCPUFQWGOWSV-DEOSSOPVSA-N 2 0 421.585 3.860 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387206 999786571 /nfs/dbraw/zinc/78/65/71/999786571.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 2 0 408.586 3.878 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000489536383 999786973 /nfs/dbraw/zinc/78/69/73/999786973.db2.gz XPPBMFFKPWIVSM-BAGYTPMASA-N 2 0 410.562 3.626 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543434 999788553 /nfs/dbraw/zinc/78/85/53/999788553.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543439 999788791 /nfs/dbraw/zinc/78/87/91/999788791.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 2 0 408.590 3.813 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000489683095 999816806 /nfs/dbraw/zinc/81/68/06/999816806.db2.gz JDKXFYSQDUAYOR-UHFFFAOYSA-N 2 0 409.618 3.915 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489682927 999816848 /nfs/dbraw/zinc/81/68/48/999816848.db2.gz ZKJIFZBEQHLCES-IBGZPJMESA-N 2 0 422.573 3.816 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000480528632 999819156 /nfs/dbraw/zinc/81/91/56/999819156.db2.gz NRQZTGCNOOLOIN-RBUKOAKNSA-N 2 0 410.400 3.524 20 0 HHADRP Fc1ccccc1COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000480554552 999825315 /nfs/dbraw/zinc/82/53/15/999825315.db2.gz NRWQSFKCJNUCTM-UHFFFAOYSA-N 2 0 413.537 3.877 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480599943 999837465 /nfs/dbraw/zinc/83/74/65/999837465.db2.gz DZELVYBUMFHCBY-GOSISDBHSA-N 2 0 413.537 3.722 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604395 999838662 /nfs/dbraw/zinc/83/86/62/999838662.db2.gz BELAAQRMGIHKCL-RTWAWAEBSA-N 2 0 421.589 3.590 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604396 999838678 /nfs/dbraw/zinc/83/86/78/999838678.db2.gz BELAAQRMGIHKCL-SFTDATJTSA-N 2 0 421.589 3.590 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000489808157 999842187 /nfs/dbraw/zinc/84/21/87/999842187.db2.gz BBQNSBJANRTTGY-WMZHIEFXSA-N 2 0 412.578 3.572 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000480632426 999845981 /nfs/dbraw/zinc/84/59/81/999845981.db2.gz CCIWGGBWGLJINI-LJQANCHMSA-N 2 0 404.624 3.664 20 0 HHADRP CC[NH+]1CCC(NC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC000489898594 999858229 /nfs/dbraw/zinc/85/82/29/999858229.db2.gz JWSKKCAMMAWPDJ-UHFFFAOYSA-N 2 0 408.590 3.815 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712233 999865786 /nfs/dbraw/zinc/86/57/86/999865786.db2.gz IROSPFDBQZRRLF-OAQYLSRUSA-N 2 0 401.595 3.678 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCCc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000490011349 999877156 /nfs/dbraw/zinc/87/71/56/999877156.db2.gz FVYDVTATQUXSDV-UHFFFAOYSA-N 2 0 411.565 3.719 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000490118232 999895516 /nfs/dbraw/zinc/89/55/16/999895516.db2.gz JXKDQOJXSWWVKC-DYLHXGEVSA-N 2 0 421.585 3.879 20 0 HHADRP C[C@@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490633350 999986839 /nfs/dbraw/zinc/98/68/39/999986839.db2.gz ZYCJXLRBTBLPHQ-NQIIRXRSSA-N 2 0 413.528 3.822 20 0 HHADRP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490799781 1000007948 /nfs/dbraw/zinc/00/79/48/1000007948.db2.gz SSEXTNNZIQRTGR-DENIHFKCSA-N 2 0 400.526 3.888 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490940539 1000026009 /nfs/dbraw/zinc/02/60/09/1000026009.db2.gz SXMSURRQBDLKLU-VAMGGRTRSA-N 2 0 418.651 3.766 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490940530 1000026048 /nfs/dbraw/zinc/02/60/48/1000026048.db2.gz SXMSURRQBDLKLU-AQNXPRMDSA-N 2 0 418.651 3.766 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491035915 1000037669 /nfs/dbraw/zinc/03/76/69/1000037669.db2.gz KPLHYJYFCBSQTI-OAQYLSRUSA-N 2 0 421.354 3.972 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000491123360 1000047655 /nfs/dbraw/zinc/04/76/55/1000047655.db2.gz KXRAJJOLINYZPY-JTHBVZDNSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491458443 1000076571 /nfs/dbraw/zinc/07/65/71/1000076571.db2.gz MGOOSTYWFJRNAO-UHFFFAOYSA-N 2 0 412.582 3.526 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000493007040 1000153898 /nfs/dbraw/zinc/15/38/98/1000153898.db2.gz GHKJHJHXPVXQDE-HSZRJFAPSA-N 2 0 419.972 3.548 20 0 HHADRP Cc1c2ccc(F)cc2sc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493276146 1000166362 /nfs/dbraw/zinc/16/63/62/1000166362.db2.gz GMIXIKPIJSWTSW-UHFFFAOYSA-N 2 0 412.534 3.686 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H]4CCC[N@@H+]4C4CC4)cc3)CC2)c1 ZINC000494333765 1000438131 /nfs/dbraw/zinc/43/81/31/1000438131.db2.gz UEOXXMMBRXXCDX-RUZDIDTESA-N 2 0 418.585 3.883 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900849 1000721049 /nfs/dbraw/zinc/72/10/49/1000721049.db2.gz BWXHIFLSWMTQDK-ZCNNSNEGSA-N 2 0 409.574 3.848 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)cc1 ZINC000494908588 1000724652 /nfs/dbraw/zinc/72/46/52/1000724652.db2.gz KBIFGUZRALXRJT-IBGZPJMESA-N 2 0 409.574 3.960 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)CC2)c1 ZINC000494910916 1000725506 /nfs/dbraw/zinc/72/55/06/1000725506.db2.gz PNXCXSDFGPQNLZ-HSZRJFAPSA-N 2 0 410.610 3.927 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923571 1000732173 /nfs/dbraw/zinc/73/21/73/1000732173.db2.gz LYFZBCVZEVVLJW-DHLKQENFSA-N 2 0 411.565 3.831 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000495055812 1000803200 /nfs/dbraw/zinc/80/32/00/1000803200.db2.gz KFCJQGPXZVFGGR-UHFFFAOYSA-N 2 0 423.601 3.661 20 0 HHADRP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505590074 1000923455 /nfs/dbraw/zinc/92/34/55/1000923455.db2.gz DLJUUNKUMXGIPP-CVDCTZTESA-N 2 0 419.573 3.533 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000495260879 1000942289 /nfs/dbraw/zinc/94/22/89/1000942289.db2.gz SSRCQKYKTMOJKU-DHIUTWEWSA-N 2 0 400.998 3.880 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000505802955 1001034216 /nfs/dbraw/zinc/03/42/16/1001034216.db2.gz SCWREUNMXBIDDI-OAQYLSRUSA-N 2 0 414.619 3.536 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000495698782 1001063065 /nfs/dbraw/zinc/06/30/65/1001063065.db2.gz CNLXJCIEXDEEHY-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016050 1001164762 /nfs/dbraw/zinc/16/47/62/1001164762.db2.gz CMIQRRJDOIHYQW-NRFANRHFSA-N 2 0 401.501 3.522 20 0 HHADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052051 1001193132 /nfs/dbraw/zinc/19/31/32/1001193132.db2.gz QLGNIOOLUNYKEM-GOSISDBHSA-N 2 0 407.986 3.800 20 0 HHADRP CN(c1ccccc1C[N@H+](C)Cc1ccccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000506152111 1001251162 /nfs/dbraw/zinc/25/11/62/1001251162.db2.gz BQMAIGFFIANJQL-UHFFFAOYSA-N 2 0 422.617 3.686 20 0 HHADRP Cc1ccc(N2CCC(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)nc1 ZINC000506302517 1001341200 /nfs/dbraw/zinc/34/12/00/1001341200.db2.gz VGBXJFAOGOOMOR-UHFFFAOYSA-N 2 0 413.610 3.656 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302885 1001341525 /nfs/dbraw/zinc/34/15/25/1001341525.db2.gz XJUXDRPLBFVHKO-JTHBVZDNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446091 /nfs/dbraw/zinc/44/60/91/1001446091.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 2 0 407.549 3.915 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000497611013 1001458158 /nfs/dbraw/zinc/45/81/58/1001458158.db2.gz LFRJWBQZOILHIM-DVECYGJZSA-N 2 0 424.589 3.823 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497850640 1001536617 /nfs/dbraw/zinc/53/66/17/1001536617.db2.gz BZYKITUGZZVQIW-HXUWFJFHSA-N 2 0 406.368 3.747 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000498121872 1001650611 /nfs/dbraw/zinc/65/06/11/1001650611.db2.gz WMISFJWZKRFUNG-UHFFFAOYSA-N 2 0 415.578 3.579 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000498155334 1001666857 /nfs/dbraw/zinc/66/68/57/1001666857.db2.gz INTWGSHFZYZSSE-QEFHDYNCSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000506952212 1001725289 /nfs/dbraw/zinc/72/52/89/1001725289.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 2 0 412.622 3.731 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000498555055 1001969930 /nfs/dbraw/zinc/96/99/30/1001969930.db2.gz NYJTZPHSYUZCEI-PKTZIBPZSA-N 2 0 414.594 3.585 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707572 1002091151 /nfs/dbraw/zinc/09/11/51/1002091151.db2.gz UOMXDJYAWMBEQM-NZQKXSOJSA-N 2 0 400.611 3.660 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507518350 1002128510 /nfs/dbraw/zinc/12/85/10/1002128510.db2.gz CPWSJIYBEHIKLD-TUACAJSNSA-N 2 0 417.553 3.563 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1Cc2ccccc2C1 ZINC000507522679 1002131485 /nfs/dbraw/zinc/13/14/85/1002131485.db2.gz BNCIZNLPVSJOMA-CCDWMCETSA-N 2 0 403.570 3.809 20 0 HHADRP CCCOc1cc(C)ccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498807388 1002192337 /nfs/dbraw/zinc/19/23/37/1002192337.db2.gz SUFURDPAHZVNQV-UHFFFAOYSA-N 2 0 411.550 3.513 20 0 HHADRP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000507601871 1002208428 /nfs/dbraw/zinc/20/84/28/1002208428.db2.gz AQHBMDBURYNSAF-UWJYYQICSA-N 2 0 423.536 3.690 20 0 HHADRP CC[C@@H](C)Oc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498829512 1002213565 /nfs/dbraw/zinc/21/35/65/1002213565.db2.gz DHLZQMDITRVDHH-LJQANCHMSA-N 2 0 411.550 3.593 20 0 HHADRP CC[C@H](C)Oc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498832938 1002218732 /nfs/dbraw/zinc/21/87/32/1002218732.db2.gz WCGXSYYVURQVMR-IBGZPJMESA-N 2 0 411.550 3.593 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498896810 1002287433 /nfs/dbraw/zinc/28/74/33/1002287433.db2.gz ORBQPLAGRIHWMV-GMAHTHKFSA-N 2 0 400.611 3.947 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498896808 1002287837 /nfs/dbraw/zinc/28/78/37/1002287837.db2.gz ORBQPLAGRIHWMV-GGAORHGYSA-N 2 0 400.611 3.947 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498944809 1002343743 /nfs/dbraw/zinc/34/37/43/1002343743.db2.gz UOVZUNLECUELJH-AZUAARDMSA-N 2 0 407.352 3.958 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1)C(C)C ZINC000507850267 1002388718 /nfs/dbraw/zinc/38/87/18/1002388718.db2.gz GKTQXLBEQUTIGV-UHFFFAOYSA-N 2 0 415.622 3.882 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499102912 1002494188 /nfs/dbraw/zinc/49/41/88/1002494188.db2.gz RWWPEEVHFFMJDR-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249160 1002645403 /nfs/dbraw/zinc/64/54/03/1002645403.db2.gz JXUCHWGCWYWCJH-DKUWSORSSA-N 2 0 405.542 3.587 20 0 HHADRP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000499705176 1003054495 /nfs/dbraw/zinc/05/44/95/1003054495.db2.gz NETOCVKBJBKRHV-UHFFFAOYSA-N 2 0 424.520 3.658 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000500130013 1003491005 /nfs/dbraw/zinc/49/10/05/1003491005.db2.gz BTDUTTHCUXEWRN-UHFFFAOYSA-N 2 0 408.590 3.776 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020029 1003492176 /nfs/dbraw/zinc/49/21/76/1003492176.db2.gz BHIOQPYHARNIQS-UKILVPOCSA-N 2 0 406.618 3.699 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137292 1003497247 /nfs/dbraw/zinc/49/72/47/1003497247.db2.gz APELLRRKFKZSSU-NZQKXSOJSA-N 2 0 418.626 3.744 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(C)CCC[N@H+](C)Cc3ccco3)CC2)CC1 ZINC000500607428 1003824819 /nfs/dbraw/zinc/82/48/19/1003824819.db2.gz LMYWHSIOSANYKY-UHFFFAOYSA-N 2 0 404.599 3.786 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)CC2)CC1 ZINC000500608550 1003825535 /nfs/dbraw/zinc/82/55/35/1003825535.db2.gz NBGYFVQVLIXLDT-HRTMPFAESA-N 2 0 404.574 3.771 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719523 1003919267 /nfs/dbraw/zinc/91/92/67/1003919267.db2.gz IGQCVGFEDKVAKF-WOJBJXKFSA-N 2 0 415.626 3.696 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500818372 1003977854 /nfs/dbraw/zinc/97/78/54/1003977854.db2.gz PTHNHYFVNNPAMQ-UHFFFAOYSA-N 2 0 421.589 3.735 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512102870 1004024840 /nfs/dbraw/zinc/02/48/40/1004024840.db2.gz ABFRLWOFGMKSTI-MDNUFGMLSA-N 2 0 400.611 3.707 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512160583 1004067042 /nfs/dbraw/zinc/06/70/42/1004067042.db2.gz XXWFIBRIVXIFLS-JOCHJYFZSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000509744630 1004067158 /nfs/dbraw/zinc/06/71/58/1004067158.db2.gz GMGRYIRLKAETSB-RDPSFJRHSA-N 2 0 408.590 3.848 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC000501005236 1004110330 /nfs/dbraw/zinc/11/03/30/1004110330.db2.gz AQDAXFQCYCYUFF-QHCPKHFHSA-N 2 0 422.608 3.886 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000501009990 1004114145 /nfs/dbraw/zinc/11/41/45/1004114145.db2.gz HDZSVLFZHRWCEE-NRFANRHFSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029369 1004132461 /nfs/dbraw/zinc/13/24/61/1004132461.db2.gz HPVDVKHFINKYSR-NCJOGADSSA-N 2 0 410.606 3.703 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071388 1004174455 /nfs/dbraw/zinc/17/44/55/1004174455.db2.gz WHOFESRHYMYXRS-UHFFFAOYSA-N 2 0 406.452 3.887 20 0 HHADRP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512280717 1004182386 /nfs/dbraw/zinc/18/23/86/1004182386.db2.gz PLWNYOJPMAQWPT-TZRRMPRUSA-N 2 0 412.599 3.622 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000501078825 1004184224 /nfs/dbraw/zinc/18/42/24/1004184224.db2.gz XZBPWJRXKUIART-HXUWFJFHSA-N 2 0 400.611 3.975 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000501085166 1004190854 /nfs/dbraw/zinc/19/08/54/1004190854.db2.gz MSTXZUBIYPAQBM-CTNGQTDRSA-N 2 0 406.640 3.894 20 0 HHADRP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512290034 1004192761 /nfs/dbraw/zinc/19/27/61/1004192761.db2.gz WXOASUWNOCCANH-GMKZXUHWSA-N 2 0 412.599 3.871 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000501094901 1004200620 /nfs/dbraw/zinc/20/06/20/1004200620.db2.gz QOTCEDZWHGCSBQ-UHFFFAOYSA-N 2 0 409.603 3.670 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](C)C ZINC000501099986 1004204325 /nfs/dbraw/zinc/20/43/25/1004204325.db2.gz QEDOLQXTQDITEA-VGSWGCGISA-N 2 0 400.542 3.686 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Br)c(C)c2)CC1 ZINC000501105572 1004208046 /nfs/dbraw/zinc/20/80/46/1004208046.db2.gz KAZXUABENAQMDC-UHFFFAOYSA-N 2 0 424.427 3.818 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512322257 1004215554 /nfs/dbraw/zinc/21/55/54/1004215554.db2.gz IQFWTWRJEBNUNJ-NSHGMRRFSA-N 2 0 405.608 3.530 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000512322254 1004215774 /nfs/dbraw/zinc/21/57/74/1004215774.db2.gz IQFWTWRJEBNUNJ-BJLQDIEVSA-N 2 0 405.608 3.530 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324792 1004217609 /nfs/dbraw/zinc/21/76/09/1004217609.db2.gz SKTQBFKOHQWZHH-BZSNNMDCSA-N 2 0 403.567 3.664 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324796 1004217733 /nfs/dbraw/zinc/21/77/33/1004217733.db2.gz SKTQBFKOHQWZHH-RCCFBDPRSA-N 2 0 403.567 3.664 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000512328266 1004220484 /nfs/dbraw/zinc/22/04/84/1004220484.db2.gz LPJDBUMXULYCEK-UHFFFAOYSA-N 2 0 422.770 3.587 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2cccc(Br)c21 ZINC000512330723 1004222382 /nfs/dbraw/zinc/22/23/82/1004222382.db2.gz XGYRVOIYCDECCE-UHFFFAOYSA-N 2 0 420.395 3.948 20 0 HHADRP C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512429607 1004295734 /nfs/dbraw/zinc/29/57/34/1004295734.db2.gz HWHIOCSMCIRKAP-GUDVDZBRSA-N 2 0 400.567 3.701 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512429305 1004295755 /nfs/dbraw/zinc/29/57/55/1004295755.db2.gz FJLGDKHONUVADX-REWPJTCUSA-N 2 0 400.611 3.660 20 0 HHADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000512487086 1004337411 /nfs/dbraw/zinc/33/74/11/1004337411.db2.gz PXUNBVCGZAGZMP-RBBKRZOGSA-N 2 0 414.638 3.734 20 0 HHADRP CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375361 1004375777 /nfs/dbraw/zinc/37/57/77/1004375777.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 2 0 400.611 3.635 20 0 HHADRP CC[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501377961 1004377021 /nfs/dbraw/zinc/37/70/21/1004377021.db2.gz OAFRMCXPLOCTTE-HSZRJFAPSA-N 2 0 400.611 3.635 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388900 1004384813 /nfs/dbraw/zinc/38/48/13/1004384813.db2.gz VLDFUBDMDRFMSI-SEIRJHJZSA-N 2 0 412.578 3.919 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501398481 1004392124 /nfs/dbraw/zinc/39/21/24/1004392124.db2.gz JZJKUSHMWLAWIA-UHFFFAOYSA-N 2 0 401.545 3.960 20 0 HHADRP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634557 1004447030 /nfs/dbraw/zinc/44/70/30/1004447030.db2.gz DOCRSMKSXKJTKE-ZKMPZPQNSA-N 2 0 421.585 3.544 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472179 /nfs/dbraw/zinc/47/21/79/1004472179.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 2 0 411.634 3.912 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)N1CC[NH+](C)CC1 ZINC000512666633 1004477066 /nfs/dbraw/zinc/47/70/66/1004477066.db2.gz LTLFXXGAAWATHX-IMDYLNKJSA-N 2 0 411.634 3.842 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000501549397 1004507674 /nfs/dbraw/zinc/50/76/74/1004507674.db2.gz IXWMNEPHKNVPJP-UXHICEINSA-N 2 0 401.599 3.521 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1ccsc1 ZINC000510366724 1004512900 /nfs/dbraw/zinc/51/29/00/1004512900.db2.gz IJQQEDHJIJSCCK-QFIPXVFZSA-N 2 0 414.619 3.703 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000512714137 1004513067 /nfs/dbraw/zinc/51/30/67/1004513067.db2.gz NBWXWOWJDVHCEQ-UHFFFAOYSA-N 2 0 417.500 3.647 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000501560017 1004516728 /nfs/dbraw/zinc/51/67/28/1004516728.db2.gz CVWKJWOJEPIUED-UHFFFAOYSA-N 2 0 401.599 3.605 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000510388369 1004528492 /nfs/dbraw/zinc/52/84/92/1004528492.db2.gz GHSBEWHZQDYQBB-FGZHOGPDSA-N 2 0 410.562 3.861 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000501646287 1004573243 /nfs/dbraw/zinc/57/32/43/1004573243.db2.gz KMNZNXAWLOVMPU-DEOSSOPVSA-N 2 0 415.622 3.638 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000512821955 1004581183 /nfs/dbraw/zinc/58/11/83/1004581183.db2.gz STBFWXRGVFFAQB-QHCPKHFHSA-N 2 0 418.626 3.840 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510488148 1004606651 /nfs/dbraw/zinc/60/66/51/1004606651.db2.gz GNHJIOQUMHUWAI-LJQANCHMSA-N 2 0 400.567 3.704 20 0 HHADRP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501810952 1004751315 /nfs/dbraw/zinc/75/13/15/1004751315.db2.gz UCBVFNDYXBJEPL-GBXCKJPGSA-N 2 0 406.574 3.570 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501810752 1004751388 /nfs/dbraw/zinc/75/13/88/1004751388.db2.gz SGAOSFVKGQQUDK-ZEQRLZLVSA-N 2 0 406.574 3.960 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823786 1004759352 /nfs/dbraw/zinc/75/93/52/1004759352.db2.gz GQMUHIXPHVUECL-XPNTWCBSSA-N 2 0 400.611 3.881 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501846913 1004773673 /nfs/dbraw/zinc/77/36/73/1004773673.db2.gz BISRMFQAUFFFPF-QHCPKHFHSA-N 2 0 410.562 3.723 20 0 HHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000513051854 1004780085 /nfs/dbraw/zinc/78/00/85/1004780085.db2.gz NOVJRKQVLJKZAG-IBGZPJMESA-N 2 0 400.485 3.832 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000510674627 1004792843 /nfs/dbraw/zinc/79/28/43/1004792843.db2.gz JMIFRVTULIYQCE-GOSISDBHSA-N 2 0 401.580 3.690 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510835854 1004882429 /nfs/dbraw/zinc/88/24/29/1004882429.db2.gz GQJZCQVMNXQJFK-JOCHJYFZSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874931 1004904469 /nfs/dbraw/zinc/90/44/69/1004904469.db2.gz RQMZFOHEGIXRLE-KMFTYDHNSA-N 2 0 422.013 3.856 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883093 1004909251 /nfs/dbraw/zinc/90/92/51/1004909251.db2.gz OCXBGQIGLKIIIZ-RTWAWAEBSA-N 2 0 414.619 3.951 20 0 HHADRP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510951210 1004950312 /nfs/dbraw/zinc/95/03/12/1004950312.db2.gz KVLWBJMYNTXIEH-WKDXJHLXSA-N 2 0 421.585 3.723 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511003779 1004975591 /nfs/dbraw/zinc/97/55/91/1004975591.db2.gz WSZRMZNDKKYQHJ-GPUOULLFSA-N 2 0 405.586 3.720 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511007912 1004977217 /nfs/dbraw/zinc/97/72/17/1004977217.db2.gz BQSAEYFZENVCAO-REWPJTCUSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000513467149 1004979250 /nfs/dbraw/zinc/97/92/50/1004979250.db2.gz QRTKMKRWTFYFLD-QFIPXVFZSA-N 2 0 421.614 3.813 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000511015834 1004981088 /nfs/dbraw/zinc/98/10/88/1004981088.db2.gz MUMSFVWKYSOYOJ-IBGZPJMESA-N 2 0 424.511 3.550 20 0 HHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000502281414 1004991987 /nfs/dbraw/zinc/99/19/87/1004991987.db2.gz IBOGTVBKAUBTSJ-LJQANCHMSA-N 2 0 412.574 3.690 20 0 HHADRP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1OCc1ccccc1 ZINC000513510014 1004997108 /nfs/dbraw/zinc/99/71/08/1004997108.db2.gz XONNMLQOLIOKAG-XMMPIXPASA-N 2 0 423.601 3.876 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000511056545 1005000523 /nfs/dbraw/zinc/00/05/23/1005000523.db2.gz OLKXBQURJSQOGX-GOSISDBHSA-N 2 0 409.530 3.764 20 0 HHADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513516711 1005000981 /nfs/dbraw/zinc/00/09/81/1005000981.db2.gz AGEWPCBZCIPOAR-AREMUKBSSA-N 2 0 415.585 3.558 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321444 1005010756 /nfs/dbraw/zinc/01/07/56/1005010756.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 2 0 407.606 3.741 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028675 /nfs/dbraw/zinc/02/86/75/1005028675.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 0 409.574 3.549 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000513659786 1005070389 /nfs/dbraw/zinc/07/03/89/1005070389.db2.gz DFIYNZOZFXAOLQ-OHFALNGGSA-N 2 0 402.892 3.795 20 0 HHADRP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230633 1005083065 /nfs/dbraw/zinc/08/30/65/1005083065.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[NH+](C)CC1 ZINC000511246785 1005089631 /nfs/dbraw/zinc/08/96/31/1005089631.db2.gz FHCZGRJRKJECDR-KRWDZBQOSA-N 2 0 424.511 3.573 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252659 1005092705 /nfs/dbraw/zinc/09/27/05/1005092705.db2.gz YKKNWQLILJADMG-OALUTQOASA-N 2 0 404.574 3.552 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713122 1005092962 /nfs/dbraw/zinc/09/29/62/1005092962.db2.gz KSUGCHXFERAQFU-PCCBWWKXSA-N 2 0 406.412 3.876 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H]2CCC[C@@H]21 ZINC000513713601 1005093185 /nfs/dbraw/zinc/09/31/85/1005093185.db2.gz QJOIUCOMACWWSG-FSSWDIPSSA-N 2 0 417.550 3.589 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3Br)(N2CCCCC2)CC1 ZINC000513859741 1005162370 /nfs/dbraw/zinc/16/23/70/1005162370.db2.gz PHVZFBMCMJXAFW-HXUWFJFHSA-N 2 0 406.412 3.976 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410260 1005164400 /nfs/dbraw/zinc/16/44/00/1005164400.db2.gz NTDRUGZQURRYRR-WWNPGLIZSA-N 2 0 412.622 3.503 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)Nc3cccc(OCC[NH+](C)C)c3)CC2)CC1 ZINC000502794657 1005220334 /nfs/dbraw/zinc/22/03/34/1005220334.db2.gz WGUBQWPHQHWWCO-UHFFFAOYSA-N 2 0 402.583 3.792 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[NH+]1CCCC1 ZINC000502804065 1005225019 /nfs/dbraw/zinc/22/50/19/1005225019.db2.gz SDNQPWVZGDHFJV-QFIPXVFZSA-N 2 0 416.610 3.643 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019997 1005230978 /nfs/dbraw/zinc/23/09/78/1005230978.db2.gz KHUFPEWNTMJWOX-ROUUACIJSA-N 2 0 407.002 3.724 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000511600127 1005240411 /nfs/dbraw/zinc/24/04/11/1005240411.db2.gz RKFTUXWVBVXVLM-FGZHOGPDSA-N 2 0 400.611 3.564 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846393 1005242214 /nfs/dbraw/zinc/24/22/14/1005242214.db2.gz DLLVJGFCBLTAFY-QFBILLFUSA-N 2 0 414.516 3.824 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)C1 ZINC000502856234 1005245737 /nfs/dbraw/zinc/24/57/37/1005245737.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 2 0 400.611 3.635 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000502863936 1005249120 /nfs/dbraw/zinc/24/91/20/1005249120.db2.gz SFMRPCIGEBGTGO-IFMALSPDSA-N 2 0 416.610 3.643 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000511626383 1005250484 /nfs/dbraw/zinc/25/04/84/1005250484.db2.gz IOHHGVKELHAFEA-DEOSSOPVSA-N 2 0 421.585 3.861 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000514092020 1005261698 /nfs/dbraw/zinc/26/16/98/1005261698.db2.gz AWZCNEYYMBQCHX-ULQDDVLXSA-N 2 0 402.560 3.995 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514108114 1005269166 /nfs/dbraw/zinc/26/91/66/1005269166.db2.gz VJQOGGHXZVOELL-GGAORHGYSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000514123598 1005276577 /nfs/dbraw/zinc/27/65/77/1005276577.db2.gz WAKVWZOWWLOUSN-WOJBJXKFSA-N 2 0 406.640 3.914 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000514242999 1005329690 /nfs/dbraw/zinc/32/96/90/1005329690.db2.gz PQJZPPYKHAWGCE-XMMPIXPASA-N 2 0 403.526 3.517 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)c1 ZINC000503327805 1005391076 /nfs/dbraw/zinc/39/10/76/1005391076.db2.gz GOEFPCNMBZXSFU-DEOSSOPVSA-N 2 0 408.590 3.502 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401704 1005408912 /nfs/dbraw/zinc/40/89/12/1005408912.db2.gz QWDIRBCFTQGISQ-AOHZBQACSA-N 2 0 412.622 3.975 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000503416428 1005414045 /nfs/dbraw/zinc/41/40/45/1005414045.db2.gz WEBTUXJCJHDHMH-SIKLNZKXSA-N 2 0 404.574 3.582 20 0 HHADRP CC(C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000503445444 1005422393 /nfs/dbraw/zinc/42/23/93/1005422393.db2.gz DFNXHKKHGDZMSH-XZOQPEGZSA-N 2 0 406.659 3.896 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCCCC1 ZINC000503458949 1005426602 /nfs/dbraw/zinc/42/66/02/1005426602.db2.gz HXKJWLHPRQADDZ-QFIPXVFZSA-N 2 0 400.611 3.505 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503466331 1005429161 /nfs/dbraw/zinc/42/91/61/1005429161.db2.gz STRYUALRAWNIKA-BGYRXZFFSA-N 2 0 400.611 3.696 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)CC1 ZINC000503619562 1005466795 /nfs/dbraw/zinc/46/67/95/1005466795.db2.gz YELVJWVZQQVHHR-RUZDIDTESA-N 2 0 415.585 3.751 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000504041202 1005538948 /nfs/dbraw/zinc/53/89/48/1005538948.db2.gz ZXMZLMICWQCISZ-HXUWFJFHSA-N 2 0 406.640 3.941 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000514407703 1005976328 /nfs/dbraw/zinc/97/63/28/1005976328.db2.gz XCZFGMXJGZBVTK-FQEVSTJZSA-N 2 0 402.583 3.603 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000514438740 1005990745 /nfs/dbraw/zinc/99/07/45/1005990745.db2.gz XAMPZCRIJSMZHD-NRFANRHFSA-N 2 0 412.603 3.980 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1cccc(OC)c1 ZINC000531207460 1006047199 /nfs/dbraw/zinc/04/71/99/1006047199.db2.gz YRDOKGWQWDMEOX-DEOSSOPVSA-N 2 0 424.589 3.814 20 0 HHADRP Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000514635765 1006064620 /nfs/dbraw/zinc/06/46/20/1006064620.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 2 0 416.569 3.532 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000531355784 1006146268 /nfs/dbraw/zinc/14/62/68/1006146268.db2.gz VSTRSRPRFNWRKL-UHFFFAOYSA-N 2 0 422.617 3.595 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)c(C)c2)CC1 ZINC000531446626 1006201945 /nfs/dbraw/zinc/20/19/45/1006201945.db2.gz WPTSWDIDMASSCA-UHFFFAOYSA-N 2 0 421.589 3.695 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531455225 1006207755 /nfs/dbraw/zinc/20/77/55/1006207755.db2.gz RFKJEFJPNWWCPM-NZQKXSOJSA-N 2 0 406.574 3.633 20 0 HHADRP O=c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccc(Cl)cn12 ZINC000534230469 1006229448 /nfs/dbraw/zinc/22/94/48/1006229448.db2.gz ZWSCQXILQWOOHV-UHFFFAOYSA-N 2 0 422.960 3.836 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534232095 1006232779 /nfs/dbraw/zinc/23/27/79/1006232779.db2.gz UWAWUQMCHVROCM-OAQYLSRUSA-N 2 0 421.585 3.688 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)[NH+](C)C)cc1 ZINC000515112858 1006297591 /nfs/dbraw/zinc/29/75/91/1006297591.db2.gz XMFCMWNLWJSYQD-XMMPIXPASA-N 2 0 423.605 3.815 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000531621025 1006310940 /nfs/dbraw/zinc/31/09/40/1006310940.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 2 0 420.601 3.566 20 0 HHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCCN2CC[NH+](C)CC2)nc1 ZINC000515249318 1006359599 /nfs/dbraw/zinc/35/95/99/1006359599.db2.gz HTDANAFGQKAOLU-DEOSSOPVSA-N 2 0 415.025 3.678 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000515289810 1006380066 /nfs/dbraw/zinc/38/00/66/1006380066.db2.gz PBZGVNVNHNPZAB-DEOSSOPVSA-N 2 0 424.589 3.783 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000515354315 1006414622 /nfs/dbraw/zinc/41/46/22/1006414622.db2.gz GCXLLFCFWDVABT-LJQANCHMSA-N 2 0 423.557 3.951 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000531850664 1006470812 /nfs/dbraw/zinc/47/08/12/1006470812.db2.gz CNRJFHLESDOUHX-HXUWFJFHSA-N 2 0 410.581 3.972 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000531958930 1006546998 /nfs/dbraw/zinc/54/69/98/1006546998.db2.gz ZSKHGUBVCWDSMS-MSOLQXFVSA-N 2 0 421.582 3.510 20 0 HHADRP COCCOc1cc(C)ccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000532104696 1006638114 /nfs/dbraw/zinc/63/81/14/1006638114.db2.gz YVTYEDOVYNPCEM-UHFFFAOYSA-N 2 0 411.590 3.840 20 0 HHADRP CC[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000515790542 1006673503 /nfs/dbraw/zinc/67/35/03/1006673503.db2.gz LNZFKJFHAXBNRS-PKTZIBPZSA-N 2 0 412.553 3.565 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000515820134 1006697380 /nfs/dbraw/zinc/69/73/80/1006697380.db2.gz AAGRUCCMUMPLJY-IBGZPJMESA-N 2 0 400.611 3.981 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000532206981 1006720581 /nfs/dbraw/zinc/72/05/81/1006720581.db2.gz RYNAALXSFDTZOW-CVDCTZTESA-N 2 0 421.651 3.647 20 0 HHADRP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532211427 1006724339 /nfs/dbraw/zinc/72/43/39/1006724339.db2.gz CJGWCJRZUOQTTQ-WOJBJXKFSA-N 2 0 417.619 3.507 20 0 HHADRP CC1(C)CN([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000532215917 1006727229 /nfs/dbraw/zinc/72/72/29/1006727229.db2.gz BFPQFBHWGVWQPN-QFIPXVFZSA-N 2 0 406.014 3.956 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@H](C)C1 ZINC000532223661 1006732246 /nfs/dbraw/zinc/73/22/46/1006732246.db2.gz RPWBRLRIIPEVMS-GCJKJVERSA-N 2 0 422.013 3.671 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000538492465 1006761174 /nfs/dbraw/zinc/76/11/74/1006761174.db2.gz PFKYJBUFWMNAQI-JOCHJYFZSA-N 2 0 408.590 3.596 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534794897 1006797393 /nfs/dbraw/zinc/79/73/93/1006797393.db2.gz MXGOHCKGNQZANQ-SFHVURJKSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556711 1006818094 /nfs/dbraw/zinc/81/80/94/1006818094.db2.gz FKKFFWSMZVTNLE-IIBYNOLFSA-N 2 0 408.550 3.679 20 0 HHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)c3ccc(Br)cc3)CC2)C1 ZINC000532448898 1006891125 /nfs/dbraw/zinc/89/11/25/1006891125.db2.gz XVACYJNZCZOYAG-UZLBHIALSA-N 2 0 422.411 3.812 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000532450213 1006892536 /nfs/dbraw/zinc/89/25/36/1006892536.db2.gz DBZBRKHFOZYMTD-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP CCCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000532451829 1006894488 /nfs/dbraw/zinc/89/44/88/1006894488.db2.gz RYSUUZNFHIMDJP-IBGZPJMESA-N 2 0 412.578 3.872 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532482620 1006921333 /nfs/dbraw/zinc/92/13/33/1006921333.db2.gz MXNDDAHGKJNGEX-SJORKVTESA-N 2 0 410.537 3.874 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)c(C)c2)CC1 ZINC000516233228 1006964720 /nfs/dbraw/zinc/96/47/20/1006964720.db2.gz RGZXZBSBIAUKNP-SFHLNBCPSA-N 2 0 415.626 3.625 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943341 1006985077 /nfs/dbraw/zinc/98/50/77/1006985077.db2.gz UHXBRLPIGQLWBI-LPHOPBHVSA-N 2 0 410.965 3.646 20 0 HHADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965520 1007017332 /nfs/dbraw/zinc/01/73/32/1007017332.db2.gz WSTKMHCJGWFMHG-FQEVSTJZSA-N 2 0 420.557 3.711 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc3ccccc3o2)CC1)Cc1ccccc1 ZINC000532623350 1007046130 /nfs/dbraw/zinc/04/61/30/1007046130.db2.gz NZNGWXVSYOUPRS-UHFFFAOYSA-N 2 0 405.542 3.893 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(-c2ccccc2)cc1OC ZINC000532627262 1007048760 /nfs/dbraw/zinc/04/87/60/1007048760.db2.gz JZCIBAPDGZYTGK-XZOQPEGZSA-N 2 0 410.558 3.838 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(-c2ccccc2)cc1OC ZINC000532627261 1007048985 /nfs/dbraw/zinc/04/89/85/1007048985.db2.gz JZCIBAPDGZYTGK-PKTZIBPZSA-N 2 0 410.558 3.838 20 0 HHADRP C[NH+](CCCC[N@@H+](C)Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC000535010337 1007064584 /nfs/dbraw/zinc/06/45/84/1007064584.db2.gz LNDLGROENJHOES-UHFFFAOYSA-N 2 0 412.530 3.573 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581645 1007166922 /nfs/dbraw/zinc/16/69/22/1007166922.db2.gz HNHRFVTWCULQJE-SIKLNZKXSA-N 2 0 412.553 3.734 20 0 HHADRP CCC1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000532803992 1007191304 /nfs/dbraw/zinc/19/13/04/1007191304.db2.gz WXALODOLAHHMKD-UHFFFAOYSA-N 2 0 414.619 3.762 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072107 1007363456 /nfs/dbraw/zinc/36/34/56/1007363456.db2.gz CSJOSHKLMVLNPK-ULQDDVLXSA-N 2 0 405.974 3.769 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000539083143 1007372871 /nfs/dbraw/zinc/37/28/71/1007372871.db2.gz WPRMWCZDIBOHQY-WZONZLPQSA-N 2 0 411.546 3.646 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010669 1007374639 /nfs/dbraw/zinc/37/46/39/1007374639.db2.gz VTDKNVIMDJJGBF-DZFGPLHGSA-N 2 0 404.986 3.601 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393156 /nfs/dbraw/zinc/39/31/56/1007393156.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 2 0 412.603 3.705 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccs1 ZINC000517101023 1007412252 /nfs/dbraw/zinc/41/22/52/1007412252.db2.gz MMRGCZUYNZTNFE-IBGZPJMESA-N 2 0 400.592 3.657 20 0 HHADRP CC(C)[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163865 1007464560 /nfs/dbraw/zinc/46/45/60/1007464560.db2.gz JWQKLMVNZVPLJG-HSZRJFAPSA-N 2 0 408.546 3.768 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)CC2)c1 ZINC000517215765 1007510847 /nfs/dbraw/zinc/51/08/47/1007510847.db2.gz OWVSPGYLGXLWQE-GOTSBHOMSA-N 2 0 409.622 3.947 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181520 1007522459 /nfs/dbraw/zinc/52/24/59/1007522459.db2.gz CCMGJOHVXXOKQQ-HXUWFJFHSA-N 2 0 402.583 3.747 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000535508658 1007564392 /nfs/dbraw/zinc/56/43/92/1007564392.db2.gz RRBKQBQDPXOMSR-KSSFIOAISA-N 2 0 401.776 3.916 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000539306580 1007604907 /nfs/dbraw/zinc/60/49/07/1007604907.db2.gz KFOXAGLZDFNUHO-DNVCBOLYSA-N 2 0 412.441 3.849 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654032 1007665882 /nfs/dbraw/zinc/66/58/82/1007665882.db2.gz DPUXVXZWEOHEKY-HGHGUNKESA-N 2 0 424.992 3.893 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000535673455 1007694373 /nfs/dbraw/zinc/69/43/73/1007694373.db2.gz ZAFXAWVWZQGOGR-LAUBAEHRSA-N 2 0 418.582 3.831 20 0 HHADRP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535680700 1007709739 /nfs/dbraw/zinc/70/97/39/1007709739.db2.gz LJRQITWIVUDYSN-QFIPXVFZSA-N 2 0 405.586 3.722 20 0 HHADRP CC(C)[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700543 1007737652 /nfs/dbraw/zinc/73/76/52/1007737652.db2.gz LUUHTQVREJEQKN-XLIONFOSSA-N 2 0 412.981 3.890 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3ncccc3C)C(C)C)CC2)cc1 ZINC000539455506 1007766978 /nfs/dbraw/zinc/76/69/78/1007766978.db2.gz FYZBTEZTAJEHAE-DEOSSOPVSA-N 2 0 408.590 3.720 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000533458283 1007770023 /nfs/dbraw/zinc/77/00/23/1007770023.db2.gz KTZYLQGWSHYDEM-QMMLZNLJSA-N 2 0 407.002 3.849 20 0 HHADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000539496554 1007807224 /nfs/dbraw/zinc/80/72/24/1007807224.db2.gz NZYULJBRILPETI-HNAYVOBHSA-N 2 0 400.380 3.903 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613009 1007817843 /nfs/dbraw/zinc/81/78/43/1007817843.db2.gz RBUVQXTYDFFTIR-NFBKMPQASA-N 2 0 401.595 3.847 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517635699 1007844871 /nfs/dbraw/zinc/84/48/71/1007844871.db2.gz BXWZFSBLUBKMJJ-UHFFFAOYSA-N 2 0 422.617 3.745 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000535844395 1007857860 /nfs/dbraw/zinc/85/78/60/1007857860.db2.gz UJZMEEXWYZMDBG-UHFFFAOYSA-N 2 0 421.633 3.971 20 0 HHADRP Cc1cc(C)n2c(C[NH2+]CCc3ccc(OCC[NH+]4C[C@H](C)[C@@H](C)C4)cc3)cnc2n1 ZINC000539553975 1007866490 /nfs/dbraw/zinc/86/64/90/1007866490.db2.gz MPBNQXJPTJTJAE-OALUTQOASA-N 2 0 421.589 3.645 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000517659608 1007872162 /nfs/dbraw/zinc/87/21/62/1007872162.db2.gz WWISGYUNCFVPFG-JOCHJYFZSA-N 2 0 410.562 3.803 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000517790901 1007972634 /nfs/dbraw/zinc/97/26/34/1007972634.db2.gz FNOVHVRDPGVUDC-GOSISDBHSA-N 2 0 404.574 3.600 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000517889967 1008032827 /nfs/dbraw/zinc/03/28/27/1008032827.db2.gz HJWFCHXCUZDTMP-FCHUYYIVSA-N 2 0 416.610 3.642 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518015915 1008104976 /nfs/dbraw/zinc/10/49/76/1008104976.db2.gz YQJQZAQOPNNGFS-CTNGQTDRSA-N 2 0 404.986 3.793 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824220 1008119228 /nfs/dbraw/zinc/11/92/28/1008119228.db2.gz DRGODZXMZJICOI-GBXCKJPGSA-N 2 0 423.601 3.829 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539863342 1008147371 /nfs/dbraw/zinc/14/73/71/1008147371.db2.gz WLYUYFRYZFPLIV-KDURUIRLSA-N 2 0 412.578 3.797 20 0 HHADRP CCCCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1OC ZINC000539863393 1008148204 /nfs/dbraw/zinc/14/82/04/1008148204.db2.gz ZOAAFBPBDWIYLT-QFIPXVFZSA-N 2 0 403.611 3.865 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)c1 ZINC000533955808 1008231864 /nfs/dbraw/zinc/23/18/64/1008231864.db2.gz SPJBNXJAAXXMKO-TZRRMPRUSA-N 2 0 422.573 3.577 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045555 1008254651 /nfs/dbraw/zinc/25/46/51/1008254651.db2.gz RCHOOKGJSKCTHX-SFHVURJKSA-N 2 0 414.981 3.978 20 0 HHADRP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540048689 1008257791 /nfs/dbraw/zinc/25/77/91/1008257791.db2.gz YQXYHTLLUBQHPL-UHFFFAOYSA-N 2 0 402.489 3.927 20 0 HHADRP O=C(NCc1ccccc1)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000540051703 1008260171 /nfs/dbraw/zinc/26/01/71/1008260171.db2.gz SZXNEKDZXQWLGP-RUZDIDTESA-N 2 0 414.553 3.945 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000518403050 1008290219 /nfs/dbraw/zinc/29/02/19/1008290219.db2.gz BDSYSGWLMOMMGS-OALUTQOASA-N 2 0 418.601 3.846 20 0 HHADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540168952 1008320228 /nfs/dbraw/zinc/32/02/28/1008320228.db2.gz IPZCATPWEKRZOH-LJQANCHMSA-N 2 0 412.603 3.698 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000540170441 1008320596 /nfs/dbraw/zinc/32/05/96/1008320596.db2.gz LSOVTPBABRJZFU-NRFANRHFSA-N 2 0 413.562 3.978 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000540170442 1008320659 /nfs/dbraw/zinc/32/06/59/1008320659.db2.gz LSOVTPBABRJZFU-OAQYLSRUSA-N 2 0 413.562 3.978 20 0 HHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000540180215 1008325493 /nfs/dbraw/zinc/32/54/93/1008325493.db2.gz BXQNMQNIGPBPID-JXFKEZNVSA-N 2 0 422.411 3.812 20 0 HHADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000518511482 1008332815 /nfs/dbraw/zinc/33/28/15/1008332815.db2.gz IMTVUIIMCNGKMA-MRXNPFEDSA-N 2 0 419.791 3.506 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264834 1008360409 /nfs/dbraw/zinc/36/04/09/1008360409.db2.gz LWTQDPYBCXTATN-MSOLQXFVSA-N 2 0 401.576 3.559 20 0 HHADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000518607642 1008363530 /nfs/dbraw/zinc/36/35/30/1008363530.db2.gz IYCGVCOESOEOIL-UHFFFAOYSA-N 2 0 420.960 3.569 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000518623354 1008369212 /nfs/dbraw/zinc/36/92/12/1008369212.db2.gz FPFQQNJDEXNDIA-FPOVZHCZSA-N 2 0 415.603 3.548 20 0 HHADRP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000518644512 1008377181 /nfs/dbraw/zinc/37/71/81/1008377181.db2.gz ZAWSBGQMPONVMR-HSZRJFAPSA-N 2 0 409.549 3.602 20 0 HHADRP CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540317775 1008377248 /nfs/dbraw/zinc/37/72/48/1008377248.db2.gz FOQZQXOECZVBTM-NRFANRHFSA-N 2 0 400.567 3.770 20 0 HHADRP C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321552 1008378830 /nfs/dbraw/zinc/37/88/30/1008378830.db2.gz UVFPQQZPUNOJJY-QZTJIDSGSA-N 2 0 401.576 3.648 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000518926738 1008475280 /nfs/dbraw/zinc/47/52/80/1008475280.db2.gz NTPCOSGKNUQBTE-AQNXPRMDSA-N 2 0 411.512 3.683 20 0 HHADRP C[NH+](C)CC1(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCCC1 ZINC000545448578 1008561432 /nfs/dbraw/zinc/56/14/32/1008561432.db2.gz TYLJSHSOUBJXBF-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP CCC1(CNC(=O)N(C)CCC[NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000543073394 1008650624 /nfs/dbraw/zinc/65/06/24/1008650624.db2.gz ZHEGQUZINBVVRK-UHFFFAOYSA-N 2 0 400.611 3.806 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190676 1008764088 /nfs/dbraw/zinc/76/40/88/1008764088.db2.gz UYSSWIRDEBVDFZ-AZGAKELHSA-N 2 0 421.585 3.826 20 0 HHADRP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000543236293 1008804065 /nfs/dbraw/zinc/80/40/65/1008804065.db2.gz GDFMQMWTKAYYOL-GOTSBHOMSA-N 2 0 401.518 3.633 20 0 HHADRP COc1cccc(OC)c1OCCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519725074 1008979278 /nfs/dbraw/zinc/97/92/78/1008979278.db2.gz JTCYGAKUZHAHNU-WOJBJXKFSA-N 2 0 420.594 3.684 20 0 HHADRP Cc1cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)cc2cccnc12 ZINC000543397436 1008988666 /nfs/dbraw/zinc/98/86/66/1008988666.db2.gz MUSHHOBTUYPYOX-UHFFFAOYSA-N 2 0 404.558 3.806 20 0 HHADRP C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545981183 1009032521 /nfs/dbraw/zinc/03/25/21/1009032521.db2.gz SDMSBRNPZZMMMY-XTWGIRIWSA-N 2 0 415.603 3.513 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1F ZINC000549468224 1009061655 /nfs/dbraw/zinc/06/16/55/1009061655.db2.gz PKTPCIXXJYLVQU-FQEVSTJZSA-N 2 0 406.933 3.643 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000519944965 1009096210 /nfs/dbraw/zinc/09/62/10/1009096210.db2.gz HGYRSKCFFBDPTA-VXKWHMMOSA-N 2 0 414.638 3.705 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585078 1009211724 /nfs/dbraw/zinc/21/17/24/1009211724.db2.gz UWRUYVUQIYZINO-MNPDLOSFSA-N 2 0 420.601 3.636 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000520126533 1009279394 /nfs/dbraw/zinc/27/93/94/1009279394.db2.gz RJPYDTYQAKTJGM-UHFFFAOYSA-N 2 0 421.585 3.933 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543683698 1009292393 /nfs/dbraw/zinc/29/23/93/1009292393.db2.gz CEGHVJVUQXVJBP-FPDPHYFHSA-N 2 0 424.992 3.844 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000520198277 1009336828 /nfs/dbraw/zinc/33/68/28/1009336828.db2.gz QVNDXXVEPFFTQX-OAQYLSRUSA-N 2 0 404.599 3.594 20 0 HHADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773372 1009341687 /nfs/dbraw/zinc/34/16/87/1009341687.db2.gz IKQFHTXRKWAIQV-NZQKXSOJSA-N 2 0 409.530 3.977 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000520348263 1009484576 /nfs/dbraw/zinc/48/45/76/1009484576.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 2 0 418.585 3.605 20 0 HHADRP c1cnn(-c2cccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868369 1009488045 /nfs/dbraw/zinc/48/80/45/1009488045.db2.gz VIHISCGKORDEIB-DEOSSOPVSA-N 2 0 416.569 3.891 20 0 HHADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000549918916 1009536749 /nfs/dbraw/zinc/53/67/49/1009536749.db2.gz BYRUMWRZBQBNMY-DEOSSOPVSA-N 2 0 421.585 3.614 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002971 1009604189 /nfs/dbraw/zinc/60/41/89/1009604189.db2.gz SRRVFVKPBYCZDB-MAUKXSAKSA-N 2 0 423.623 3.969 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(Cl)cc4c3OCC4)CC2)CC1 ZINC000544021589 1009621882 /nfs/dbraw/zinc/62/18/82/1009621882.db2.gz AMPOXENTOMYZJX-UHFFFAOYSA-N 2 0 406.014 3.903 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000546619133 1009632714 /nfs/dbraw/zinc/63/27/14/1009632714.db2.gz IJLMDCGNTIESMK-SFTDATJTSA-N 2 0 415.622 3.672 20 0 HHADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c2ncccc12 ZINC000546648091 1009652591 /nfs/dbraw/zinc/65/25/91/1009652591.db2.gz CUGVSOFPKWJOIF-SFHVURJKSA-N 2 0 413.566 3.513 20 0 HHADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000546659828 1009659081 /nfs/dbraw/zinc/65/90/81/1009659081.db2.gz AILHDQZUBHGMGV-VEEZFSHISA-N 2 0 417.553 3.846 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000520613267 1009688984 /nfs/dbraw/zinc/68/89/84/1009688984.db2.gz ZBORAGJOONHAOD-FYYLOGMGSA-N 2 0 416.610 3.738 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613709 1009690297 /nfs/dbraw/zinc/69/02/97/1009690297.db2.gz BOUOQGQWFXFBBU-OFNKIYASSA-N 2 0 400.611 3.838 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000520708481 1009775332 /nfs/dbraw/zinc/77/53/32/1009775332.db2.gz WGWHGIHZGVANCY-SIKLNZKXSA-N 2 0 414.594 3.538 20 0 HHADRP Clc1ccc(-n2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)nn2)cc1Cl ZINC000544181807 1009785655 /nfs/dbraw/zinc/78/56/55/1009785655.db2.gz XAQHZAJUEQEDQC-UHFFFAOYSA-N 2 0 417.344 3.975 20 0 HHADRP CC(C)C[NH+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000520729601 1009797476 /nfs/dbraw/zinc/79/74/76/1009797476.db2.gz QGTGPNCNZPFKEW-UHFFFAOYSA-N 2 0 407.002 3.535 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000520878450 1009933227 /nfs/dbraw/zinc/93/32/27/1009933227.db2.gz AICGRNPPTFPBJD-RBUKOAKNSA-N 2 0 402.539 3.782 20 0 HHADRP CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)CCCCC2)CCO1 ZINC000520885103 1009941179 /nfs/dbraw/zinc/94/11/79/1009941179.db2.gz LQYZSXITAGYQJN-UHFFFAOYSA-N 2 0 413.606 3.826 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332676 1009956594 /nfs/dbraw/zinc/95/65/94/1009956594.db2.gz VOZDRYUSBPYBRT-NHTMILBNSA-N 2 0 412.622 3.947 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520952522 1010002366 /nfs/dbraw/zinc/00/23/66/1010002366.db2.gz SKCPFZREVAIZJX-OAQYLSRUSA-N 2 0 424.564 3.818 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520952520 1010002568 /nfs/dbraw/zinc/00/25/68/1010002568.db2.gz SKCPFZREVAIZJX-NRFANRHFSA-N 2 0 424.564 3.818 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000520958295 1010005791 /nfs/dbraw/zinc/00/57/91/1010005791.db2.gz TXBUFJKWUUFATM-QFIPXVFZSA-N 2 0 417.601 3.882 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000550611893 1010064646 /nfs/dbraw/zinc/06/46/46/1010064646.db2.gz DPYZIFUNCCYWQQ-HXUWFJFHSA-N 2 0 424.358 3.886 20 0 HHADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882967 1010239900 /nfs/dbraw/zinc/23/99/00/1010239900.db2.gz UHAZVIASYNNCIX-KAMZKSLDSA-N 2 0 423.605 3.526 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000544622803 1010246479 /nfs/dbraw/zinc/24/64/79/1010246479.db2.gz UEIJPOCTXQQMEZ-VQTJNVASSA-N 2 0 400.611 3.790 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000547325952 1010254099 /nfs/dbraw/zinc/25/40/99/1010254099.db2.gz KHOKHACHCNVAQN-HXUWFJFHSA-N 2 0 401.595 3.568 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC[NH+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430917 1010302303 /nfs/dbraw/zinc/30/23/03/1010302303.db2.gz AGWMANGFKVRSLD-BGYRXZFFSA-N 2 0 401.595 3.567 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000551030040 1010326910 /nfs/dbraw/zinc/32/69/10/1010326910.db2.gz DXMGQEQNURVXBU-INIZCTEOSA-N 2 0 422.392 3.579 20 0 HHADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000521367416 1010336188 /nfs/dbraw/zinc/33/61/88/1010336188.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 2 0 402.583 3.683 20 0 HHADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000521367415 1010336487 /nfs/dbraw/zinc/33/64/87/1010336487.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 2 0 402.583 3.683 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000547538276 1010344304 /nfs/dbraw/zinc/34/43/04/1010344304.db2.gz COOICXDVSXBBPG-QHCPKHFHSA-N 2 0 400.611 3.659 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000547763667 1010418170 /nfs/dbraw/zinc/41/81/70/1010418170.db2.gz QLZASWQJCUGLHK-UHFFFAOYSA-N 2 0 424.589 3.931 20 0 HHADRP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827903 1010441171 /nfs/dbraw/zinc/44/11/71/1010441171.db2.gz YQXUEGXPHCBEMB-JTHBVZDNSA-N 2 0 420.601 3.590 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521534766 1010445617 /nfs/dbraw/zinc/44/56/17/1010445617.db2.gz ZYIWTLKTFGBGDA-HSZRJFAPSA-N 2 0 409.549 3.950 20 0 HHADRP CC1CC[NH+](CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000521686996 1010551177 /nfs/dbraw/zinc/55/11/77/1010551177.db2.gz AJONTNXJKMHIKB-UHFFFAOYSA-N 2 0 414.516 3.511 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000521785515 1010616962 /nfs/dbraw/zinc/61/69/62/1010616962.db2.gz NHOHERAYIKLXDA-GOTSBHOMSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482139 1010640822 /nfs/dbraw/zinc/64/08/22/1010640822.db2.gz XNJIGGCYZHDQJZ-ZJSXRUAMSA-N 3 0 407.602 3.644 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]CC2=Cc3ccccc3OC2)c1)C1CCOCC1 ZINC000521830359 1010644560 /nfs/dbraw/zinc/64/45/60/1010644560.db2.gz WGKLMENRXYTROQ-UHFFFAOYSA-N 2 0 408.542 3.742 20 0 HHADRP C[N@H+](CCC(=O)Nc1ccnn1[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713531 /nfs/dbraw/zinc/71/35/31/1010713531.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 2 0 409.578 3.923 20 0 HHADRP COc1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)[NH+]2CCCCC2)cc1 ZINC000545398502 1010772467 /nfs/dbraw/zinc/77/24/67/1010772467.db2.gz QERREKAUYFHZFG-QHCPKHFHSA-N 2 0 424.589 3.567 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000522409045 1010988518 /nfs/dbraw/zinc/98/85/18/1010988518.db2.gz TYLVPYNMMJKMPI-FQEVSTJZSA-N 2 0 418.607 3.935 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000522472011 1011033158 /nfs/dbraw/zinc/03/31/58/1011033158.db2.gz UWDZZLVENNUWRA-UHFFFAOYSA-N 2 0 412.553 3.523 20 0 HHADRP Cc1ccc([C@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000522725754 1011179228 /nfs/dbraw/zinc/17/92/28/1011179228.db2.gz IEZNBAHXPMTDMJ-XMMPIXPASA-N 2 0 421.589 3.757 20 0 HHADRP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000540590356 1011246798 /nfs/dbraw/zinc/24/67/98/1011246798.db2.gz JRWGNGFUSYZRFC-DEOSSOPVSA-N 2 0 409.574 3.779 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522850375 1011289625 /nfs/dbraw/zinc/28/96/25/1011289625.db2.gz CZHDLFRGLUEOIM-UHFFFAOYSA-N 2 0 410.468 3.729 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536162108 1011290755 /nfs/dbraw/zinc/29/07/55/1011290755.db2.gz ZLMNBKFOHHRCAU-YGOYIFOWSA-N 2 0 406.574 3.957 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204444 1011349101 /nfs/dbraw/zinc/34/91/01/1011349101.db2.gz PTKDWHNELLROKK-KMDXXIMOSA-N 2 0 422.573 3.577 20 0 HHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540789094 1011449763 /nfs/dbraw/zinc/44/97/63/1011449763.db2.gz QTRPOUUINIIDMX-IBGZPJMESA-N 2 0 411.594 3.726 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000536302930 1011492111 /nfs/dbraw/zinc/49/21/11/1011492111.db2.gz UXRIHINUHGZGLK-OALUTQOASA-N 2 0 414.819 3.951 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303002 1011493310 /nfs/dbraw/zinc/49/33/10/1011493310.db2.gz RLOGSXJCOZCSIF-SCLBCKFNSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000536307180 1011500198 /nfs/dbraw/zinc/50/01/98/1011500198.db2.gz DIMPULSXNVDVCW-INIZCTEOSA-N 2 0 407.480 3.800 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000523130552 1011599767 /nfs/dbraw/zinc/59/97/67/1011599767.db2.gz GDPPRTVYPAHJMB-NJDAHSKKSA-N 2 0 400.611 3.694 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1CC1CCCCC1 ZINC000523313895 1011789171 /nfs/dbraw/zinc/78/91/71/1011789171.db2.gz JGSGDBIRXSPLIC-QHCPKHFHSA-N 2 0 413.610 3.738 20 0 HHADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000536664784 1011816538 /nfs/dbraw/zinc/81/65/38/1011816538.db2.gz LCBMGOAYVCWECC-QHCPKHFHSA-N 2 0 423.601 3.971 20 0 HHADRP Cc1ccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(OCC[NH+](C)C)c1 ZINC000523444886 1011938417 /nfs/dbraw/zinc/93/84/17/1011938417.db2.gz PJZMJLLWDAIDII-UHFFFAOYSA-N 2 0 402.583 3.664 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446176 1011941899 /nfs/dbraw/zinc/94/18/99/1011941899.db2.gz ONYVQZYNAPZHPA-NRFANRHFSA-N 2 0 410.562 3.722 20 0 HHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536835930 1012065980 /nfs/dbraw/zinc/06/59/80/1012065980.db2.gz YDWXXPZOVQGTBN-KMFTYDHNSA-N 2 0 407.624 3.631 20 0 HHADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552055600 1012072849 /nfs/dbraw/zinc/07/28/49/1012072849.db2.gz VZWGLHJFUOLDCL-FPDJOHNTSA-N 2 0 408.590 3.778 20 0 HHADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000552065569 1012083288 /nfs/dbraw/zinc/08/32/88/1012083288.db2.gz FUMWDRWNXKIXKT-JPYJTQIMSA-N 2 0 412.574 3.690 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC000552067620 1012085306 /nfs/dbraw/zinc/08/53/06/1012085306.db2.gz RJMLLEZBXBUKLX-ZKMPZPQNSA-N 2 0 420.601 3.699 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857867 1012091580 /nfs/dbraw/zinc/09/15/80/1012091580.db2.gz NKMDMTKRDWAVDE-SFHVURJKSA-N 2 0 403.592 3.628 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000541390932 1012114530 /nfs/dbraw/zinc/11/45/30/1012114530.db2.gz WIRCTTHELGILPM-UHFFFAOYSA-N 2 0 416.451 3.748 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598684 1012163580 /nfs/dbraw/zinc/16/35/80/1012163580.db2.gz XEHIRUWEDPVJDX-RTBURBONSA-N 2 0 406.640 3.770 20 0 HHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552183629 1012197151 /nfs/dbraw/zinc/19/71/51/1012197151.db2.gz NEFHTTDKUDJQAO-FQEVSTJZSA-N 2 0 401.501 3.887 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[NH+]2CCCC2)o1 ZINC000523645533 1012238410 /nfs/dbraw/zinc/23/84/10/1012238410.db2.gz WDBUGMPMYBKFKY-JOCHJYFZSA-N 2 0 410.562 3.820 20 0 HHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552275961 1012289846 /nfs/dbraw/zinc/28/98/46/1012289846.db2.gz GJFQBCSQDFWQKK-PDIHAJQMSA-N 2 0 411.634 3.645 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000537000571 1012302844 /nfs/dbraw/zinc/30/28/44/1012302844.db2.gz JJZYTUVRWUWPTP-SFHVURJKSA-N 2 0 401.576 3.561 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000552309934 1012320095 /nfs/dbraw/zinc/32/00/95/1012320095.db2.gz BBUAGTZQPZHQJT-GOTSBHOMSA-N 2 0 416.610 3.642 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1F ZINC000537042243 1012361613 /nfs/dbraw/zinc/36/16/13/1012361613.db2.gz CGTYWFOVUCSXAD-MRXNPFEDSA-N 2 0 417.550 3.672 20 0 HHADRP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000552420894 1012437521 /nfs/dbraw/zinc/43/75/21/1012437521.db2.gz YAOFOFDUAIEQIW-VCOUNFBDSA-N 2 0 419.560 3.913 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000537108124 1012478892 /nfs/dbraw/zinc/47/88/92/1012478892.db2.gz CXAJZPLFEQNWGM-MRXNPFEDSA-N 2 0 417.500 3.744 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000523866286 1012562315 /nfs/dbraw/zinc/56/23/15/1012562315.db2.gz HNTKBMWOBMIMBE-FQEVSTJZSA-N 2 0 424.589 3.652 20 0 HHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000552579020 1012584723 /nfs/dbraw/zinc/58/47/23/1012584723.db2.gz PNIVMQJYYBAWLK-GOTSBHOMSA-N 2 0 406.014 3.662 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000523907288 1012624164 /nfs/dbraw/zinc/62/41/64/1012624164.db2.gz XKGBSMXCCZNPFQ-JPYJTQIMSA-N 2 0 412.553 3.953 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000523907841 1012624915 /nfs/dbraw/zinc/62/49/15/1012624915.db2.gz HPBFFKDPNCRCGR-RDPSFJRHSA-N 2 0 408.590 3.684 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000523910274 1012627910 /nfs/dbraw/zinc/62/79/10/1012627910.db2.gz HXPMNTCXCQCIHU-GOSISDBHSA-N 2 0 412.553 3.912 20 0 HHADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000523968507 1012713403 /nfs/dbraw/zinc/71/34/03/1012713403.db2.gz YIJDNXYRXVPXRE-FQEVSTJZSA-N 2 0 401.938 3.884 20 0 HHADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728183 /nfs/dbraw/zinc/72/81/83/1012728183.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 2 0 423.601 3.571 20 0 HHADRP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752706 /nfs/dbraw/zinc/75/27/06/1012752706.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 2 0 424.658 3.537 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915586 1012773574 /nfs/dbraw/zinc/77/35/74/1012773574.db2.gz RTAIOKZIVIBDEI-FICKONGGSA-N 3 0 419.613 3.644 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)cc2)CC1 ZINC000552783387 1012789127 /nfs/dbraw/zinc/78/91/27/1012789127.db2.gz SVXAXPRAFPAVBW-UHFFFAOYSA-N 2 0 416.525 3.650 20 0 HHADRP CC(C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000542041170 1012943526 /nfs/dbraw/zinc/94/35/26/1012943526.db2.gz KZDKTUWSZVFSML-AAYWSTDPSA-N 2 0 420.644 3.799 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001670852592 1071785556 /nfs/dbraw/zinc/78/55/56/1071785556.db2.gz NLGMAOJVKJHFQL-HNNXBMFYSA-N 2 0 419.517 3.573 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488203606 1072122550 /nfs/dbraw/zinc/12/25/50/1072122550.db2.gz QCBKENAFPIZVIV-OAQYLSRUSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc(F)c1F ZINC001143599465 1072436390 /nfs/dbraw/zinc/43/63/90/1072436390.db2.gz FIVYDQBNDPIXIW-HXUWFJFHSA-N 2 0 401.501 3.924 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC[C@H]2Cn3cccc3CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168290431 1072447089 /nfs/dbraw/zinc/44/70/89/1072447089.db2.gz MTXMBTBLTJYQHF-HDYDNRTBSA-N 2 0 404.599 3.708 20 0 HHADRP Cn1cnc2c1cc(C1CC[NH+](C3CCC([NH+](C)C)CC3)CC1)nc2N1CCCC1 ZINC001168319288 1072499711 /nfs/dbraw/zinc/49/97/11/1072499711.db2.gz QSORFWGTDZIMHK-UHFFFAOYSA-N 2 0 410.610 3.621 20 0 HHADRP CN(C)C(=O)C[C@@H]1CC2(CC[NH+](C3CCC([NH+](C)C)CC3)CC2)Oc2ccccc21 ZINC001168321060 1072501495 /nfs/dbraw/zinc/50/14/95/1072501495.db2.gz CFUJSZSUEZCMAY-QNGMFEMESA-N 2 0 413.606 3.738 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)c2cc1C ZINC000554863376 1072922257 /nfs/dbraw/zinc/92/22/57/1072922257.db2.gz RDGWQTMVNTVWEJ-HSZRJFAPSA-N 2 0 406.574 3.790 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002693 1073051339 /nfs/dbraw/zinc/05/13/39/1073051339.db2.gz KWISOIVQFLCRQU-JTJYXVOQSA-N 2 0 412.574 3.640 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000555002696 1073051621 /nfs/dbraw/zinc/05/16/21/1073051621.db2.gz KWISOIVQFLCRQU-WPWBMXPQSA-N 2 0 412.574 3.640 20 0 HHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)COc3cc(C)cc(C)c3)C2)s1 ZINC000572108751 1073196771 /nfs/dbraw/zinc/19/67/71/1073196771.db2.gz BRIIBJCXDBOFJS-NHCUHLMSSA-N 2 0 402.604 3.867 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760704298 1073216468 /nfs/dbraw/zinc/21/64/68/1073216468.db2.gz VAOJCADONUCALN-UHFFFAOYSA-N 2 0 404.986 3.974 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1F ZINC000555181722 1073225253 /nfs/dbraw/zinc/22/52/53/1073225253.db2.gz CESJPUWLIRRWIM-HXUWFJFHSA-N 2 0 406.933 3.643 20 0 HHADRP Brc1ccccc1C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168365923 1073681909 /nfs/dbraw/zinc/68/19/09/1073681909.db2.gz GBENKLZGAKLNOD-UHFFFAOYSA-N 2 0 407.396 3.961 20 0 HHADRP Cn1cnc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)ccc21 ZINC000555617830 1073684191 /nfs/dbraw/zinc/68/41/91/1073684191.db2.gz WXTXMKCJTHDOPO-QFIPXVFZSA-N 2 0 404.558 3.592 20 0 HHADRP c1cc([C@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929119 1074040181 /nfs/dbraw/zinc/04/01/81/1074040181.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000760818348 1074213248 /nfs/dbraw/zinc/21/32/48/1074213248.db2.gz BMPTZWLRBMDMAH-UHFFFAOYSA-N 2 0 403.567 3.968 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591423564 1074284865 /nfs/dbraw/zinc/28/48/65/1074284865.db2.gz STWFERHIVONAJZ-SFHVURJKSA-N 2 0 401.595 3.979 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591548501 1074384223 /nfs/dbraw/zinc/38/42/23/1074384223.db2.gz MFGRCKKHYAPBJO-QFIPXVFZSA-N 2 0 419.013 3.964 20 0 HHADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889082 1074522859 /nfs/dbraw/zinc/52/28/59/1074522859.db2.gz YCZHVHCDJYOFGV-FCHUYYIVSA-N 2 0 414.981 3.988 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000592487477 1074768458 /nfs/dbraw/zinc/76/84/58/1074768458.db2.gz RHZDGFRKNGRWID-TXTKFYIRSA-N 2 0 412.622 3.981 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc3)CC2)c1 ZINC000592841848 1075117807 /nfs/dbraw/zinc/11/78/07/1075117807.db2.gz YOSYUEZETBYTNZ-DEOSSOPVSA-N 2 0 408.590 3.842 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000593499182 1075204120 /nfs/dbraw/zinc/20/41/20/1075204120.db2.gz QKSPAGYCXYWOLF-UHFFFAOYSA-N 2 0 410.562 3.757 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)C2)CC1 ZINC000593498892 1075204138 /nfs/dbraw/zinc/20/41/38/1075204138.db2.gz OVIXACWHZPIETA-NRFANRHFSA-N 2 0 416.610 3.993 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000593500782 1075204795 /nfs/dbraw/zinc/20/47/95/1075204795.db2.gz USFOBPDIQDSNID-NRFANRHFSA-N 2 0 402.514 3.581 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)C1 ZINC000575085533 1075472871 /nfs/dbraw/zinc/47/28/71/1075472871.db2.gz PROQYXZLQQGDOT-QFIPXVFZSA-N 2 0 414.981 3.637 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886127 1075724568 /nfs/dbraw/zinc/72/45/68/1075724568.db2.gz NLYICHZNBUWONR-RPBOFIJWSA-N 2 0 420.601 3.807 20 0 HHADRP COc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1cccs1 ZINC000602277350 1075725856 /nfs/dbraw/zinc/72/58/56/1075725856.db2.gz LENGJJAAQWCQDL-IBGZPJMESA-N 2 0 415.603 3.594 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000602277949 1075725860 /nfs/dbraw/zinc/72/58/60/1075725860.db2.gz NXKWZQGDHANKBM-NRFANRHFSA-N 2 0 414.981 3.572 20 0 HHADRP Clc1ncc2c(c1N1CCC[C@@H]3[NH2+]C[C@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164447494 718998723 /nfs/dbraw/zinc/99/87/23/718998723.db2.gz CADODIVOIYTYHU-LEWJYISDSA-N 2 0 424.976 3.697 20 0 HHADRP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)c1 ZINC001164699019 719897558 /nfs/dbraw/zinc/89/75/58/719897558.db2.gz VPRXYASVYSBLSB-UHFFFAOYSA-N 2 0 412.603 3.610 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164837699 720725684 /nfs/dbraw/zinc/72/56/84/720725684.db2.gz GVXBTJLHYDGHST-DEOSSOPVSA-N 2 0 420.601 3.937 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165023261 721821508 /nfs/dbraw/zinc/82/15/08/721821508.db2.gz ILVJZIUBJHOFLR-LKUPVBHCSA-N 2 0 411.981 3.513 20 0 HHADRP Cc1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164971123 722078599 /nfs/dbraw/zinc/07/85/99/722078599.db2.gz UBXKAHANWJETBA-UHFFFAOYSA-N 2 0 414.557 3.934 20 0 HHADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164997303 722206671 /nfs/dbraw/zinc/20/66/71/722206671.db2.gz YYQVGNJWPVIKER-JOCHJYFZSA-N 2 0 400.929 3.765 20 0 HHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000542136903 1013069561 /nfs/dbraw/zinc/06/95/61/1013069561.db2.gz QFJOITGZYZAQLS-LJQANCHMSA-N 2 0 411.615 3.955 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000542148912 1013084349 /nfs/dbraw/zinc/08/43/49/1013084349.db2.gz YSOLNPQHJHNLJU-KRWDZBQOSA-N 2 0 401.551 3.577 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc1 ZINC000524298997 1013111075 /nfs/dbraw/zinc/11/10/75/1013111075.db2.gz HDIJACIFUYFELZ-UHFFFAOYSA-N 2 0 413.566 3.513 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000303511334 971811197 /nfs/dbraw/zinc/81/11/97/971811197.db2.gz WZXRDMFTZUQEJA-VTHDOGFWSA-N 2 0 412.603 3.846 20 0 HHADRP COc1cc2c(c(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@@H](C)C2 ZINC000537622285 1013169610 /nfs/dbraw/zinc/16/96/10/1013169610.db2.gz UVBAUHAVYBPALI-IBGZPJMESA-N 2 0 415.622 3.647 20 0 HHADRP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000537626895 1013175809 /nfs/dbraw/zinc/17/58/09/1013175809.db2.gz HTSZSSGGQABZSX-VWLOTQADSA-N 2 0 420.601 3.844 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000303855936 972396524 /nfs/dbraw/zinc/39/65/24/972396524.db2.gz VTBXIOJACAZABA-HXUWFJFHSA-N 2 0 400.592 3.607 20 0 HHADRP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279950 1013239571 /nfs/dbraw/zinc/23/95/71/1013239571.db2.gz GPFFQIDIBHXNBY-UXHICEINSA-N 2 0 422.491 3.899 20 0 HHADRP CC[NH+](CC)CC1CCN(c2cncc(N3CCC(C[NH+](CC)CC)CC3)n2)CC1 ZINC000553294620 1013251994 /nfs/dbraw/zinc/25/19/94/1013251994.db2.gz FTKBPSJLMGFXSU-UHFFFAOYSA-N 2 0 416.658 3.593 20 0 HHADRP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(C)c1OCc1ccccn1 ZINC000537693793 1013258571 /nfs/dbraw/zinc/25/85/71/1013258571.db2.gz ZEHFMTWICMAZAS-WXFUMESZSA-N 2 0 409.574 3.961 20 0 HHADRP CC(=O)N1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCCCC2 ZINC000537708016 1013274546 /nfs/dbraw/zinc/27/45/46/1013274546.db2.gz PTQJCLMDYUIQRH-UHFFFAOYSA-N 2 0 412.622 3.584 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000015404752 962750237 /nfs/dbraw/zinc/75/02/37/962750237.db2.gz NADGZBQIVRLZTD-XMMPIXPASA-N 2 0 406.574 3.776 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3ccc(F)cc3)C(C)C)cc2)CC1 ZINC000015550622 962789717 /nfs/dbraw/zinc/78/97/17/962789717.db2.gz XHUVMSMELXFRSG-DEOSSOPVSA-N 2 0 412.553 3.893 20 0 HHADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841368 1013403175 /nfs/dbraw/zinc/40/31/75/1013403175.db2.gz KPQBNVKEQBPCAJ-FQEVSTJZSA-N 2 0 406.574 3.593 20 0 HHADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537845753 1013410697 /nfs/dbraw/zinc/41/06/97/1013410697.db2.gz MQNXDKRPRHHRCB-NHCUHLMSSA-N 2 0 408.590 3.928 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000542464942 1013412615 /nfs/dbraw/zinc/41/26/15/1013412615.db2.gz OGSLXVOJLSWOIF-SFHVURJKSA-N 2 0 422.508 3.749 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000537847683 1013413770 /nfs/dbraw/zinc/41/37/70/1013413770.db2.gz RVFKERGQSSKSEC-UHFFFAOYSA-N 2 0 400.567 3.559 20 0 HHADRP Clc1ccc(-n2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)nn2)c(Cl)c1 ZINC000537870514 1013444133 /nfs/dbraw/zinc/44/41/33/1013444133.db2.gz XOGSKOFKHQKURA-UHFFFAOYSA-N 2 0 417.344 3.975 20 0 HHADRP COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048816617 964064572 /nfs/dbraw/zinc/06/45/72/964064572.db2.gz STYYRDWNPCGPEM-ROUUACIJSA-N 2 0 414.546 3.611 20 0 HHADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000048816567 964064605 /nfs/dbraw/zinc/06/46/05/964064605.db2.gz AGIOIUBBUNKCBB-ROUUACIJSA-N 2 0 414.546 3.611 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137158 964274891 /nfs/dbraw/zinc/27/48/91/964274891.db2.gz INRDCHYKSJUYII-LAUBAEHRSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537968728 1013545729 /nfs/dbraw/zinc/54/57/29/1013545729.db2.gz UQUXZMXAHBYJMN-YESZJQIVSA-N 2 0 415.500 3.902 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnc2ccsc2c1 ZINC000537968351 1013546070 /nfs/dbraw/zinc/54/60/70/1013546070.db2.gz CGVYNKSWTJDKAX-KRWDZBQOSA-N 2 0 408.571 3.973 20 0 HHADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980944 1013557362 /nfs/dbraw/zinc/55/73/62/1013557362.db2.gz QJNIVBMNYAYFHT-FDDCHVKYSA-N 2 0 415.603 3.563 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000031093049 965893408 /nfs/dbraw/zinc/89/34/08/965893408.db2.gz TUKUTMBRPVEJFC-HSZRJFAPSA-N 2 0 400.611 3.707 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000060524113 966190678 /nfs/dbraw/zinc/19/06/78/966190678.db2.gz BWOAHBBMPDQJIU-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c2ccccc2)CC1 ZINC000060558567 966205932 /nfs/dbraw/zinc/20/59/32/966205932.db2.gz FIJYCEJZSHJIAU-JOCHJYFZSA-N 2 0 400.611 3.975 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060580937 966214670 /nfs/dbraw/zinc/21/46/70/966214670.db2.gz XRHMTRFGEUHZMQ-UHFFFAOYSA-N 2 0 406.574 3.823 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000060798395 966293306 /nfs/dbraw/zinc/29/33/06/966293306.db2.gz LCPHIMXLBBCENX-SFHVURJKSA-N 2 0 406.621 3.624 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056343097 966309400 /nfs/dbraw/zinc/30/94/00/966309400.db2.gz MBVXMPIQXDOZPS-UHFFFAOYSA-N 2 0 412.553 3.564 20 0 HHADRP C[N@H+](CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000061036533 966356584 /nfs/dbraw/zinc/35/65/84/966356584.db2.gz YRQFKUJHJOYFSS-UHFFFAOYSA-N 2 0 406.640 3.914 20 0 HHADRP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000056572571 966377415 /nfs/dbraw/zinc/37/74/15/966377415.db2.gz NMWIDMIBZQTULW-UHFFFAOYSA-N 2 0 413.610 3.558 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061498509 966480390 /nfs/dbraw/zinc/48/03/90/966480390.db2.gz OTBLKSCVJBFHQI-OAQYLSRUSA-N 2 0 400.611 3.982 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000061521018 966487798 /nfs/dbraw/zinc/48/77/98/966487798.db2.gz CYKAJYDEOSQJMN-UHFFFAOYSA-N 2 0 406.574 3.878 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000061530288 966491720 /nfs/dbraw/zinc/49/17/20/966491720.db2.gz VJJXBTXYGWCTMQ-KDURUIRLSA-N 2 0 421.029 3.972 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000061791068 966555631 /nfs/dbraw/zinc/55/56/31/966555631.db2.gz SUKYRTAGKQKNSJ-LJQANCHMSA-N 2 0 418.651 3.910 20 0 HHADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000041617668 966605410 /nfs/dbraw/zinc/60/54/10/966605410.db2.gz ISRATFSFDXLRHJ-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000042208642 966745073 /nfs/dbraw/zinc/74/50/73/966745073.db2.gz UDNLAVKAIUTBDE-UHFFFAOYSA-N 2 0 409.603 3.716 20 0 HHADRP CCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccc(CC)cc2)cc1 ZINC000063441530 966858885 /nfs/dbraw/zinc/85/88/85/966858885.db2.gz OEYFWCADVVUCCX-UHFFFAOYSA-O 2 0 410.607 3.722 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463937 966866549 /nfs/dbraw/zinc/86/65/49/966866549.db2.gz HKGHCUKOIZSBEJ-VWLOTQADSA-N 2 0 420.601 3.994 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000042909344 966868155 /nfs/dbraw/zinc/86/81/55/966868155.db2.gz GGFZQDFYYJYXCB-UHFFFAOYSA-N 2 0 404.599 3.516 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542830216 1013695929 /nfs/dbraw/zinc/69/59/29/1013695929.db2.gz WRJRGDVYSMYONG-CDXJDZJCSA-N 2 0 407.002 3.895 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccsc1 ZINC000043799822 967036898 /nfs/dbraw/zinc/03/68/98/967036898.db2.gz QZUSIKDPUIUNFF-NRFANRHFSA-N 2 0 415.607 3.705 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000064228750 967095507 /nfs/dbraw/zinc/09/55/07/967095507.db2.gz LPNLNVPJXQNWJU-XMMPIXPASA-N 2 0 408.590 3.850 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000064237572 967101951 /nfs/dbraw/zinc/10/19/51/967101951.db2.gz PEPNINVLUAMRSB-GOTSBHOMSA-N 2 0 412.553 3.873 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000542848286 1013707143 /nfs/dbraw/zinc/70/71/43/1013707143.db2.gz WWOWGQWSIVPEPS-CYFREDJKSA-N 2 0 424.589 3.978 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644159 967258187 /nfs/dbraw/zinc/25/81/87/967258187.db2.gz WPXNNRWHGFYPLT-RXVVDRJESA-N 2 0 406.640 3.770 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000064754332 967283848 /nfs/dbraw/zinc/28/38/48/967283848.db2.gz WQTROVHLLRLLEK-LJQANCHMSA-N 2 0 406.640 3.724 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553944220 1013714924 /nfs/dbraw/zinc/71/49/24/1013714924.db2.gz BSAFTAIEFDSPOU-OFNKIYASSA-N 2 0 412.578 3.654 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccco1 ZINC000065482492 967490175 /nfs/dbraw/zinc/49/01/75/967490175.db2.gz OFFCNPLMGWDUCD-JOCHJYFZSA-N 2 0 412.578 3.888 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000065518110 967503424 /nfs/dbraw/zinc/50/34/24/967503424.db2.gz HKBRHTMMHRLPAP-JOCHJYFZSA-N 2 0 412.578 3.573 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000065521303 967505287 /nfs/dbraw/zinc/50/52/87/967505287.db2.gz HNHRFVTWCULQJE-KNQAVFIVSA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccsc1 ZINC000045658914 967527106 /nfs/dbraw/zinc/52/71/06/967527106.db2.gz TUOQAJPDVAACGL-NRFANRHFSA-N 2 0 400.592 3.836 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCCCC[NH+]3CCCC[C@H]3C)CC2)cc1 ZINC000046750616 967951504 /nfs/dbraw/zinc/95/15/04/967951504.db2.gz QNQKXEJUBQDBKQ-OAQYLSRUSA-N 2 0 416.610 3.567 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000538206449 1013760498 /nfs/dbraw/zinc/76/04/98/1013760498.db2.gz OMHKGXVYUQFNAN-SPYBWZPUSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000542948178 1013780737 /nfs/dbraw/zinc/78/07/37/1013780737.db2.gz PHPQTKKRMMDWNV-QGZVFWFLSA-N 2 0 406.546 3.696 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047882563 968350918 /nfs/dbraw/zinc/35/09/18/968350918.db2.gz HFCKTYWFBMVVPI-QFIPXVFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000047884074 968351216 /nfs/dbraw/zinc/35/12/16/968351216.db2.gz OWTZTXFBUYLYKZ-PMACEKPBSA-N 2 0 400.611 3.837 20 0 HHADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000047972977 968380463 /nfs/dbraw/zinc/38/04/63/968380463.db2.gz TWODPVIENYGMRH-UHFFFAOYSA-N 2 0 412.347 3.725 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)c1ccccc1O2 ZINC000538294368 1013829233 /nfs/dbraw/zinc/82/92/33/1013829233.db2.gz RBPLOCDHXCOLCP-HXUWFJFHSA-N 2 0 409.578 3.515 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554219087 1013858555 /nfs/dbraw/zinc/85/85/55/1013858555.db2.gz UGPQNSPHEBEOPG-RTBURBONSA-N 2 0 404.555 3.626 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000108437001 969383538 /nfs/dbraw/zinc/38/35/38/969383538.db2.gz CSUDCDURKTZFMX-OAQYLSRUSA-N 2 0 416.541 3.719 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCC1 ZINC000108711176 969413823 /nfs/dbraw/zinc/41/38/23/969413823.db2.gz KYVOOTUGOATIPN-QHCPKHFHSA-N 2 0 407.558 3.858 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554259463 1013880533 /nfs/dbraw/zinc/88/05/33/1013880533.db2.gz DMAXGLFITWTDLG-PMACEKPBSA-N 2 0 402.514 3.548 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554259099 1013880952 /nfs/dbraw/zinc/88/09/52/1013880952.db2.gz BGEUWRNNUZZKRW-FQEVSTJZSA-N 2 0 402.539 3.563 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000110427932 969666683 /nfs/dbraw/zinc/66/66/83/969666683.db2.gz DEBOLQSABKLSAP-IRXDYDNUSA-N 2 0 411.384 3.649 20 0 HHADRP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110798231 969724847 /nfs/dbraw/zinc/72/48/47/969724847.db2.gz LUBUYOLPYIHKPW-IBGZPJMESA-N 2 0 411.615 3.865 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110990681 969755526 /nfs/dbraw/zinc/75/55/26/969755526.db2.gz ZCVSGCSRUJZSLD-QZTJIDSGSA-N 2 0 405.608 3.558 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@H](C)O1 ZINC000112664906 969822484 /nfs/dbraw/zinc/82/24/84/969822484.db2.gz JIFVIOJYTQDNKK-IRXDYDNUSA-N 2 0 418.969 3.754 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000554352361 1013919013 /nfs/dbraw/zinc/91/90/13/1013919013.db2.gz KZUQNJYRHMJYSP-LJQANCHMSA-N 2 0 405.546 3.839 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000554451172 1013954573 /nfs/dbraw/zinc/95/45/73/1013954573.db2.gz BRMZGOPGHCSNAC-HYBUGGRVSA-N 2 0 406.574 3.613 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236688172 970155924 /nfs/dbraw/zinc/15/59/24/970155924.db2.gz RUTOYHJGMSOXAZ-FQEVSTJZSA-N 2 0 424.420 3.849 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](C)CC1 ZINC000236692786 970156881 /nfs/dbraw/zinc/15/68/81/970156881.db2.gz ULPBEKQPSIPELH-QFIPXVFZSA-N 2 0 423.630 3.962 20 0 HHADRP c1cnn(-c2ccc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000236698545 970157636 /nfs/dbraw/zinc/15/76/36/970157636.db2.gz XFMFZVPZNLPCCK-UHFFFAOYSA-N 2 0 403.574 3.560 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000236802776 970174726 /nfs/dbraw/zinc/17/47/26/970174726.db2.gz XPVSZJONFLVRJU-UHFFFAOYSA-N 2 0 413.562 3.534 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236849960 970180136 /nfs/dbraw/zinc/18/01/36/970180136.db2.gz BITDYVPZKRKLPP-LJQANCHMSA-N 2 0 409.603 3.716 20 0 HHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000237083647 970219538 /nfs/dbraw/zinc/21/95/38/970219538.db2.gz RGYHEKMTHMRFRT-UHFFFAOYSA-N 2 0 417.601 3.634 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000237167398 970234029 /nfs/dbraw/zinc/23/40/29/970234029.db2.gz YIIHFJZQPDVOEX-UHFFFAOYSA-N 2 0 406.368 3.825 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000237170180 970235220 /nfs/dbraw/zinc/23/52/20/970235220.db2.gz HTYKQSZSXCBBFO-UHFFFAOYSA-N 2 0 421.564 3.794 20 0 HHADRP COc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1F ZINC000237264230 970250730 /nfs/dbraw/zinc/25/07/30/970250730.db2.gz VEEBAIFZFXYVGY-UHFFFAOYSA-N 2 0 402.510 3.614 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CC(=O)Nc3ccccc3)CC2)c1 ZINC000237305654 970258878 /nfs/dbraw/zinc/25/88/78/970258878.db2.gz VHTNCZJLLLXEIT-QFIPXVFZSA-N 2 0 408.590 3.904 20 0 HHADRP COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1C#N ZINC000237431659 970284773 /nfs/dbraw/zinc/28/47/73/970284773.db2.gz QONVRXJZGGFWDD-UHFFFAOYSA-N 2 0 418.463 3.627 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540719 1013973909 /nfs/dbraw/zinc/97/39/09/1013973909.db2.gz FMGXGZHMWJYQCE-MDNUFGMLSA-N 2 0 406.574 3.514 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237522874 970307716 /nfs/dbraw/zinc/30/77/16/970307716.db2.gz FZEHORXTBNHYEL-LJQANCHMSA-N 2 0 412.578 3.850 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237609078 970322421 /nfs/dbraw/zinc/32/24/21/970322421.db2.gz PCJHEHXABYOZDC-IYBDPMFKSA-N 2 0 408.949 3.952 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000250822033 970540055 /nfs/dbraw/zinc/54/00/55/970540055.db2.gz TVXWIIZQHMUYKK-RPBOFIJWSA-N 2 0 405.586 3.579 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000195614941 970557270 /nfs/dbraw/zinc/55/72/70/970557270.db2.gz XWGUUOPZAGNVJO-DENIHFKCSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1cc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2[nH+]1 ZINC000301128771 970762158 /nfs/dbraw/zinc/76/21/58/970762158.db2.gz WHDMBPOMZMSOAN-OAQYLSRUSA-N 2 0 401.558 3.977 20 0 HHADRP C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)cn2)CC1 ZINC000554808386 1014053076 /nfs/dbraw/zinc/05/30/76/1014053076.db2.gz PBEWOZAGPSYAFG-UHFFFAOYSA-N 2 0 418.545 3.536 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000554820708 1014059436 /nfs/dbraw/zinc/05/94/36/1014059436.db2.gz XYZLXLFCWACCFM-XMMPIXPASA-N 2 0 405.586 3.993 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)N1CC[NH+](C)CC1 ZINC000392966004 972859097 /nfs/dbraw/zinc/85/90/97/972859097.db2.gz UXQRZEZEMGAGEB-OALUTQOASA-N 2 0 410.400 3.524 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410304117 973843177 /nfs/dbraw/zinc/84/31/77/973843177.db2.gz ANEDNPXCTFPLLA-UHFFFAOYSA-N 2 0 420.601 3.789 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000410306654 973846643 /nfs/dbraw/zinc/84/66/43/973846643.db2.gz NMXSKSYQMUTCST-XMMPIXPASA-N 2 0 414.638 3.893 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311086 973852648 /nfs/dbraw/zinc/85/26/48/973852648.db2.gz SCZHKFZVCCRAIK-NRFANRHFSA-N 2 0 400.611 3.505 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000410312185 973855560 /nfs/dbraw/zinc/85/55/60/973855560.db2.gz OSZDPRVAJVEYQA-DEOSSOPVSA-N 2 0 414.638 3.749 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000410312186 973855877 /nfs/dbraw/zinc/85/58/77/973855877.db2.gz OSZDPRVAJVEYQA-XMMPIXPASA-N 2 0 414.638 3.749 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000410351205 973940391 /nfs/dbraw/zinc/94/03/91/973940391.db2.gz LJIMGDZKNHUUJC-NRFANRHFSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000410371394 973966536 /nfs/dbraw/zinc/96/65/36/973966536.db2.gz DLVJHFXFMXZIMX-UHFFFAOYSA-N 2 0 412.578 3.926 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)CCC(F)(F)F ZINC000425995995 974109469 /nfs/dbraw/zinc/10/94/69/974109469.db2.gz NXSIUMKCLISUEY-DOTOQJQBSA-N 2 0 420.545 3.705 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)C1 ZINC000426012226 974130390 /nfs/dbraw/zinc/13/03/90/974130390.db2.gz CGHFYUATANJIIN-STZQEDGTSA-N 2 0 409.578 3.921 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000426125908 974248520 /nfs/dbraw/zinc/24/85/20/974248520.db2.gz IBOJGOYEACMSQB-UGKGYDQZSA-N 2 0 402.583 3.745 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000426128525 974250740 /nfs/dbraw/zinc/25/07/40/974250740.db2.gz NSNAWSXUQQXJHE-UHFFFAOYSA-N 2 0 402.583 3.793 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134919 974255994 /nfs/dbraw/zinc/25/59/94/974255994.db2.gz BJMHUCWDMVPPGA-OAQYLSRUSA-N 2 0 402.583 3.889 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426137775 974259000 /nfs/dbraw/zinc/25/90/00/974259000.db2.gz GCQSWTUOTIAXJK-OAQYLSRUSA-N 2 0 400.567 3.643 20 0 HHADRP CC(C)N(C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000426785551 974658329 /nfs/dbraw/zinc/65/83/29/974658329.db2.gz QEYFBUYZMLUQJX-OYRHEFFESA-N 2 0 401.595 3.639 20 0 HHADRP C[NH+]1CCC(CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CC1 ZINC000426802933 974672172 /nfs/dbraw/zinc/67/21/72/974672172.db2.gz YWZQPIDUXAZBGM-UHFFFAOYSA-N 2 0 422.411 3.604 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000427147388 974940041 /nfs/dbraw/zinc/94/00/41/974940041.db2.gz MAYPNNHMUCOQPI-HSZRJFAPSA-N 2 0 401.595 3.636 20 0 HHADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000427486127 975142529 /nfs/dbraw/zinc/14/25/29/975142529.db2.gz HVFNCLUCCBFCMC-UHFFFAOYSA-N 2 0 406.574 3.591 20 0 HHADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000428233813 975553088 /nfs/dbraw/zinc/55/30/88/975553088.db2.gz USPILPOFVBLRPK-ISJGIBHGSA-N 2 0 405.586 3.869 20 0 HHADRP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243775 975559701 /nfs/dbraw/zinc/55/97/01/975559701.db2.gz UPEIXSMZLXRGCV-ZCAIMPEWSA-N 2 0 407.606 3.669 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000428273327 975587269 /nfs/dbraw/zinc/58/72/69/975587269.db2.gz ZTRSPCYDEJKXMZ-QPPBQGQZSA-N 2 0 408.590 3.861 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000428556419 975868443 /nfs/dbraw/zinc/86/84/43/975868443.db2.gz FUPLXLKOBGNQNX-ZCYQVOJMSA-N 2 0 411.565 3.612 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428650430 975951491 /nfs/dbraw/zinc/95/14/91/975951491.db2.gz OXYOKYHMWKRALE-PMACEKPBSA-N 2 0 412.622 3.838 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000428877551 976167585 /nfs/dbraw/zinc/16/75/85/976167585.db2.gz WKBNRDXPCSCKQN-UHFFFAOYSA-N 2 0 411.493 3.882 20 0 HHADRP Oc1cccc2c1C[C@H]([NH2+]Cc1cccc(C[NH2+][C@H]3Cc4cccc(O)c4C3)c1)C2 ZINC000429317408 976585321 /nfs/dbraw/zinc/58/53/21/976585321.db2.gz KUPMOLLSXHITHD-SZPZYZBQSA-N 2 0 400.522 3.612 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430014776 977271980 /nfs/dbraw/zinc/27/19/80/977271980.db2.gz YOLGGRGMPDONIR-QFIPXVFZSA-N 2 0 400.950 3.985 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000430919431 977886779 /nfs/dbraw/zinc/88/67/79/977886779.db2.gz QKKHABHKWFQOON-UHFFFAOYSA-N 2 0 424.992 3.546 20 0 HHADRP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933414 977898256 /nfs/dbraw/zinc/89/82/56/977898256.db2.gz KMYFRULWLBFBNU-HXUWFJFHSA-N 2 0 414.638 3.704 20 0 HHADRP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430938841 977901397 /nfs/dbraw/zinc/90/13/97/977901397.db2.gz JLVRCGAIPLCUNB-KRWDZBQOSA-N 2 0 417.623 3.987 20 0 HHADRP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430939102 977901906 /nfs/dbraw/zinc/90/19/06/977901906.db2.gz FCWLCPBJUQJVAL-UHFFFAOYSA-N 2 0 421.029 3.715 20 0 HHADRP CSc1ccc(OCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430940634 977902751 /nfs/dbraw/zinc/90/27/51/977902751.db2.gz QCSGITRELBZVAL-UHFFFAOYSA-N 2 0 405.652 3.915 20 0 HHADRP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430950406 977909514 /nfs/dbraw/zinc/90/95/14/977909514.db2.gz HRRZKZOGLXTBSP-KRWDZBQOSA-N 2 0 417.623 3.987 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000431086292 978010498 /nfs/dbraw/zinc/01/04/98/978010498.db2.gz MYIWEQZNTGXOBC-UHFFFAOYSA-N 2 0 412.981 3.582 20 0 HHADRP Cc1cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129376 978037241 /nfs/dbraw/zinc/03/72/41/978037241.db2.gz PZEDYIDVXYKRCU-HXUWFJFHSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(C)(C)C[NH+](C)C ZINC000431297810 978183692 /nfs/dbraw/zinc/18/36/92/978183692.db2.gz RTXLIZNZVKQHMJ-FQEVSTJZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cn2)CC1 ZINC000431330381 978215929 /nfs/dbraw/zinc/21/59/29/978215929.db2.gz VXVUNGYNACVBFY-HSZRJFAPSA-N 2 0 406.574 3.716 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431336519 978220199 /nfs/dbraw/zinc/22/01/99/978220199.db2.gz JBICDAWKWHMABL-QFIPXVFZSA-N 2 0 413.606 3.605 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000431553794 978357644 /nfs/dbraw/zinc/35/76/44/978357644.db2.gz VPYTZPHPWVDRII-UHFFFAOYSA-N 2 0 414.638 3.705 20 0 HHADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914594 978597826 /nfs/dbraw/zinc/59/78/26/978597826.db2.gz SZBCSCOWTKTEJO-HSZRJFAPSA-N 2 0 410.606 3.701 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000431920828 978602249 /nfs/dbraw/zinc/60/22/49/978602249.db2.gz VKLDBZDPELXNDY-YADHBBJMSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000432770914 978969085 /nfs/dbraw/zinc/96/90/85/978969085.db2.gz YJAVSROXDNWEFJ-LJQANCHMSA-N 2 0 416.635 3.616 20 0 HHADRP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1 ZINC000432791799 978975202 /nfs/dbraw/zinc/97/52/02/978975202.db2.gz IBLPFWAWDGOHMX-NPIQEYAPSA-N 2 0 418.622 3.658 20 0 HHADRP CCOC(=O)c1csc(C2CC[NH+](Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)n1 ZINC000433053237 979053398 /nfs/dbraw/zinc/05/33/98/979053398.db2.gz PPGLTVDTHZJQAF-UHFFFAOYSA-N 2 0 411.531 3.589 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N[C@@H]1CCOc2ccccc21 ZINC000433074016 979059564 /nfs/dbraw/zinc/05/95/64/979059564.db2.gz HNVFANWBLDJCNU-HSZRJFAPSA-N 2 0 419.569 3.615 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125930 979086063 /nfs/dbraw/zinc/08/60/63/979086063.db2.gz AOCAPWMPOZLDCS-XMMPIXPASA-N 2 0 422.569 3.617 20 0 HHADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433125348 979086621 /nfs/dbraw/zinc/08/66/21/979086621.db2.gz JMSVDUMRINIFTE-FQEVSTJZSA-N 2 0 420.557 3.711 20 0 HHADRP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1 ZINC000433203440 979139166 /nfs/dbraw/zinc/13/91/66/979139166.db2.gz XOAMQSBXMMFFRC-XZOTUCIWSA-N 2 0 418.622 3.946 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000433387976 979269607 /nfs/dbraw/zinc/26/96/07/979269607.db2.gz SOQLKNYCQDXDEC-URVUXULASA-N 2 0 421.601 3.698 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000433395615 979274082 /nfs/dbraw/zinc/27/40/82/979274082.db2.gz AUYKDJDPPUAQGX-IEIRFRATSA-N 2 0 421.601 3.696 20 0 HHADRP OC1(C[NH+]2CCOCC2)CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000433747814 979543205 /nfs/dbraw/zinc/54/32/05/979543205.db2.gz HHJPLKGMEWTWCH-UHFFFAOYSA-N 2 0 419.525 3.691 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916925 979678070 /nfs/dbraw/zinc/67/80/70/979678070.db2.gz BUZXBLUSUDDOFT-BLIXFSHQSA-N 2 0 422.976 3.788 20 0 HHADRP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435529250 980923588 /nfs/dbraw/zinc/92/35/88/980923588.db2.gz REHXLUIXCROLAO-IFMALSPDSA-N 2 0 424.593 3.634 20 0 HHADRP C[C@@H](c1ccccc1)N1CCN(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000435581331 980949370 /nfs/dbraw/zinc/94/93/70/980949370.db2.gz YFMZPWZAESTBSY-NRFANRHFSA-N 2 0 413.606 3.563 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435752639 981016180 /nfs/dbraw/zinc/01/61/80/981016180.db2.gz YYJWXWHMNNBPIF-JOCHJYFZSA-N 2 0 413.610 3.665 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436270443 981278877 /nfs/dbraw/zinc/27/88/77/981278877.db2.gz APSGAVNUXKHZLH-IKJYFWGWSA-N 2 0 411.590 3.942 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000436276144 981280961 /nfs/dbraw/zinc/28/09/61/981280961.db2.gz RUHFQCIPHVFAOV-PMACEKPBSA-N 2 0 422.548 3.970 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000436278506 981281601 /nfs/dbraw/zinc/28/16/01/981281601.db2.gz CZUODDOBHYXXNT-UHFFFAOYSA-N 2 0 417.553 3.979 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)c2)CC1 ZINC000436373917 981333728 /nfs/dbraw/zinc/33/37/28/981333728.db2.gz VKXANMCAAMFMNR-HSZRJFAPSA-N 2 0 413.610 3.747 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436399225 981348498 /nfs/dbraw/zinc/34/84/98/981348498.db2.gz ILKRJISRIIJDQO-CTNGQTDRSA-N 2 0 413.528 3.792 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1F ZINC000436411811 981355129 /nfs/dbraw/zinc/35/51/29/981355129.db2.gz FSMRHNVYQYGEHQ-UHFFFAOYSA-N 2 0 409.505 3.584 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211652 981625605 /nfs/dbraw/zinc/62/56/05/981625605.db2.gz HTNARSARNMKQHO-VQTJNVASSA-N 2 0 406.640 3.627 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000448258931 981659598 /nfs/dbraw/zinc/65/95/98/981659598.db2.gz ZQWFAPQCWZSRTH-FCEUIQTBSA-N 2 0 400.611 3.801 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448365748 981726120 /nfs/dbraw/zinc/72/61/20/981726120.db2.gz JUQVWUMRZUEICR-XXBNENTESA-N 2 0 414.594 3.888 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448372772 981731656 /nfs/dbraw/zinc/73/16/56/981731656.db2.gz HJKLAKOZFNWZGG-KNQAVFIVSA-N 2 0 414.594 3.888 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000448400993 981754466 /nfs/dbraw/zinc/75/44/66/981754466.db2.gz BVDJJDMFKOTTOO-NRFANRHFSA-N 2 0 418.651 3.767 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448463437 981797223 /nfs/dbraw/zinc/79/72/23/981797223.db2.gz BTRHOMJDMUWTTQ-BVSLBCMMSA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000448465792 981800407 /nfs/dbraw/zinc/80/04/07/981800407.db2.gz JNSWEHQNSGGOBB-MZKRTTBSSA-N 2 0 400.611 3.790 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466109 981800740 /nfs/dbraw/zinc/80/07/40/981800740.db2.gz MIGILULBEDXFGB-DFQSSKMNSA-N 2 0 402.608 3.543 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000448467177 981803088 /nfs/dbraw/zinc/80/30/88/981803088.db2.gz PLJYOJUAHGTOGW-ZEQRLZLVSA-N 2 0 414.638 3.908 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)[C@@H](C)C1 ZINC000448468505 981807497 /nfs/dbraw/zinc/80/74/97/981807497.db2.gz VLBWCCBUGWWFAQ-MZKRTTBSSA-N 2 0 400.611 3.933 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472118 981813489 /nfs/dbraw/zinc/81/34/89/981813489.db2.gz NNRRTMNVLASYNP-DHIUTWEWSA-N 2 0 400.611 3.518 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448519927 981848304 /nfs/dbraw/zinc/84/83/04/981848304.db2.gz GRHRPPPGXFAHBV-AXLRLQSMSA-N 2 0 424.633 3.801 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000437573633 982205433 /nfs/dbraw/zinc/20/54/33/982205433.db2.gz BYQJZDWMBXVVHX-IBGZPJMESA-N 2 0 422.017 3.820 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438155829 982619969 /nfs/dbraw/zinc/61/99/69/982619969.db2.gz RPPMGCCWCBAQSX-UPVQGACJSA-N 2 0 412.622 3.947 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348771 982737182 /nfs/dbraw/zinc/73/71/82/982737182.db2.gz YXCYIYFJHSEKDB-HSZRJFAPSA-N 2 0 413.610 3.737 20 0 HHADRP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540366 982878282 /nfs/dbraw/zinc/87/82/82/982878282.db2.gz JMGMOUMKVMIBDJ-JOCHJYFZSA-N 2 0 419.997 3.706 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000438659182 982976778 /nfs/dbraw/zinc/97/67/78/982976778.db2.gz DYIWVITZNXEWNJ-UHFFFAOYSA-N 2 0 422.573 3.744 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000438824140 983097499 /nfs/dbraw/zinc/09/74/99/983097499.db2.gz BEXCUMYLOOATKT-KUXWUFDLSA-N 2 0 421.629 3.902 20 0 HHADRP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461446674 983111300 /nfs/dbraw/zinc/11/13/00/983111300.db2.gz LGWDIEQKFINQDK-IRLDBZIGSA-N 2 0 423.523 3.775 20 0 HHADRP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451810 983117364 /nfs/dbraw/zinc/11/73/64/983117364.db2.gz TVJLIYYADXNOPH-BJKOFHAPSA-N 2 0 400.526 3.526 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+](C)C)cc1 ZINC000439261158 983336203 /nfs/dbraw/zinc/33/62/03/983336203.db2.gz QMOSSGYYHGZKST-NRFANRHFSA-N 2 0 402.608 3.687 20 0 HHADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000439941340 983589077 /nfs/dbraw/zinc/58/90/77/983589077.db2.gz YFISSLMXQHEJSX-HXUWFJFHSA-N 2 0 402.542 3.667 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000439962369 983596511 /nfs/dbraw/zinc/59/65/11/983596511.db2.gz PYDWEYTUCSKEKF-JOCHJYFZSA-N 2 0 412.578 3.847 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000440094698 983642191 /nfs/dbraw/zinc/64/21/91/983642191.db2.gz JDRJCYTVZNUPSX-NQIIRXRSSA-N 2 0 413.566 3.582 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000440138106 983657009 /nfs/dbraw/zinc/65/70/09/983657009.db2.gz VIMIWNLDFXVBNV-QFIPXVFZSA-N 2 0 412.578 3.847 20 0 HHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000441057445 984047606 /nfs/dbraw/zinc/04/76/06/984047606.db2.gz GLUFBZMABBAXSP-UHFFFAOYSA-N 2 0 414.638 3.821 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000441249300 984137604 /nfs/dbraw/zinc/13/76/04/984137604.db2.gz CGOWRYYKJZHGBW-AGILITTLSA-N 2 0 423.557 3.991 20 0 HHADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000441346049 984199667 /nfs/dbraw/zinc/19/96/67/984199667.db2.gz MPMHRIHVXPMAQE-RUZDIDTESA-N 2 0 420.601 3.802 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000462111470 985081825 /nfs/dbraw/zinc/08/18/25/985081825.db2.gz MGOFQTPTLONZDN-NFBKMPQASA-N 2 0 421.651 3.638 20 0 HHADRP COCC[NH+]1CCC(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114858 985084258 /nfs/dbraw/zinc/08/42/58/985084258.db2.gz YJTDARXPPBEYCY-NQIIRXRSSA-N 2 0 413.528 3.789 20 0 HHADRP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000462515259 985465752 /nfs/dbraw/zinc/46/57/52/985465752.db2.gz WVLPFSFPAKDHIT-TZIWHRDSSA-N 2 0 418.651 3.508 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520336 985470202 /nfs/dbraw/zinc/47/02/02/985470202.db2.gz HDTDJCAZWWLAFN-NTKDMRAZSA-N 2 0 424.564 3.610 20 0 HHADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980531 985625572 /nfs/dbraw/zinc/62/55/72/985625572.db2.gz ZCIXFDIJGGGPMO-JTHBVZDNSA-N 2 0 413.606 3.706 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687606 985627505 /nfs/dbraw/zinc/62/75/05/985627505.db2.gz SDJGLGSSJNUORS-GBXCKJPGSA-N 2 0 406.574 3.602 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462736457 985680447 /nfs/dbraw/zinc/68/04/47/985680447.db2.gz DYYDCWUAOMDMKU-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000462750524 985692159 /nfs/dbraw/zinc/69/21/59/985692159.db2.gz PDDLMEREFMMYAH-QHCPKHFHSA-N 2 0 412.622 3.949 20 0 HHADRP COc1ccc(F)cc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000462778202 985714505 /nfs/dbraw/zinc/71/45/05/985714505.db2.gz KAQRZLQGOMTOPF-UHFFFAOYSA-N 2 0 402.510 3.614 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801255 985734075 /nfs/dbraw/zinc/73/40/75/985734075.db2.gz BLSAKQRDHYMQOE-VABKMULXSA-N 2 0 419.585 3.604 20 0 HHADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602777 985779735 /nfs/dbraw/zinc/77/97/35/985779735.db2.gz LQFWSXDKKJIQKU-LJQANCHMSA-N 2 0 415.578 3.763 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634769 985814935 /nfs/dbraw/zinc/81/49/35/985814935.db2.gz SRCGFKJHYNDGLX-UTKZUKDTSA-N 2 0 407.002 3.534 20 0 HHADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015380 985970575 /nfs/dbraw/zinc/97/05/75/985970575.db2.gz WZIACWMBCMAXBR-GOTSBHOMSA-N 2 0 404.595 3.858 20 0 HHADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000463056265 986013052 /nfs/dbraw/zinc/01/30/52/986013052.db2.gz FENSMCZIUOGPEL-PXDATVDWSA-N 2 0 406.618 3.827 20 0 HHADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000468362788 986061121 /nfs/dbraw/zinc/06/11/21/986061121.db2.gz BNTQPOWGYHTDSX-OLEQZPESSA-N 2 0 408.590 3.899 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000468378201 986077559 /nfs/dbraw/zinc/07/75/59/986077559.db2.gz DJCONEFUFGSWFB-UHFFFAOYSA-N 2 0 400.567 3.560 20 0 HHADRP c1ccc(CCN2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000463156662 986127908 /nfs/dbraw/zinc/12/79/08/986127908.db2.gz OJVGQIMCXHRJAL-UHFFFAOYSA-N 2 0 407.602 3.958 20 0 HHADRP Cc1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)n1 ZINC000463232393 986199909 /nfs/dbraw/zinc/19/99/09/986199909.db2.gz FQSBSXOUDQOSIF-CWAQXLGLSA-N 2 0 405.590 3.847 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000463287787 986255033 /nfs/dbraw/zinc/25/50/33/986255033.db2.gz XXIYGAKOUPKXLD-QILAJZQNSA-N 3 0 407.602 3.955 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000444236749 986425848 /nfs/dbraw/zinc/42/58/48/986425848.db2.gz JLMRDNBASFIIHV-CUXKYVRBSA-N 2 0 409.578 3.838 20 0 HHADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000444345816 986528404 /nfs/dbraw/zinc/52/84/04/986528404.db2.gz VZDJPGVXDFBAQU-ZEQRLZLVSA-N 2 0 420.601 3.835 20 0 HHADRP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1NC(=O)CC[NH+](C)C ZINC000468924346 986630766 /nfs/dbraw/zinc/63/07/66/986630766.db2.gz JJMYWFITHCJAEZ-UHFFFAOYSA-N 2 0 408.546 3.733 20 0 HHADRP Cc1c2cc(C)ccc2sc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000469003641 986708398 /nfs/dbraw/zinc/70/83/98/986708398.db2.gz OYAHRZGQGTVZBD-UHFFFAOYSA-N 2 0 408.571 3.855 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000444604135 986791316 /nfs/dbraw/zinc/79/13/16/986791316.db2.gz ZWZROUKWMIXLAX-IZZNHLLZSA-N 2 0 417.597 3.948 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000469086337 986798783 /nfs/dbraw/zinc/79/87/83/986798783.db2.gz WPFQYQYYYDTFSF-XMMPIXPASA-N 2 0 409.574 3.688 20 0 HHADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893195 /nfs/dbraw/zinc/89/31/95/986893195.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 2 0 410.606 3.844 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4ccncc4)C3)cc2)CC1 ZINC000469233577 986953930 /nfs/dbraw/zinc/95/39/30/986953930.db2.gz OEZVOEKJEZTLPK-QHCPKHFHSA-N 2 0 408.546 3.676 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000469260708 986979820 /nfs/dbraw/zinc/97/98/20/986979820.db2.gz KHHAPXMBELRGPU-UHFFFAOYSA-N 2 0 400.567 3.560 20 0 HHADRP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367107 987064342 /nfs/dbraw/zinc/06/43/42/987064342.db2.gz JKVZYQIGWXERQP-GOTSBHOMSA-N 2 0 412.578 3.586 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522179 987197930 /nfs/dbraw/zinc/19/79/30/987197930.db2.gz OSSKTXKJDNBDDQ-VXKWHMMOSA-N 2 0 412.622 3.555 20 0 HHADRP CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000445236639 987296133 /nfs/dbraw/zinc/29/61/33/987296133.db2.gz HDLXXKWJZTZNJM-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP CCOc1ccc(OC[C@H](O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000469779094 987426907 /nfs/dbraw/zinc/42/69/07/987426907.db2.gz HBHNGYLZYAPFIG-KCZVDYSFSA-N 2 0 412.574 3.571 20 0 HHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000469779494 987427093 /nfs/dbraw/zinc/42/70/93/987427093.db2.gz JLFMZIPQNLHTQL-FCHUYYIVSA-N 2 0 403.636 3.730 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000469788832 987433745 /nfs/dbraw/zinc/43/37/45/987433745.db2.gz CEQKYUZXWDFLTE-FXAWDEMLSA-N 2 0 410.986 3.770 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000469865990 987503261 /nfs/dbraw/zinc/50/32/61/987503261.db2.gz WZEJVQFULNHJCP-NZQKXSOJSA-N 2 0 409.578 3.908 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000469913138 987543210 /nfs/dbraw/zinc/54/32/10/987543210.db2.gz AKJPLVCZMGRQSA-UHFFFAOYSA-N 2 0 410.006 3.678 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000463965943 988078960 /nfs/dbraw/zinc/07/89/60/988078960.db2.gz GDDMLHPIZHQLKB-DBXWQHBBSA-N 2 0 416.591 3.860 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189806 988107512 /nfs/dbraw/zinc/10/75/12/988107512.db2.gz YYJRYHDKKDOQEV-PKOBYXMFSA-N 2 0 412.500 3.624 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470278176 988232342 /nfs/dbraw/zinc/23/23/42/988232342.db2.gz DBWPAVZEZMZTNC-QYZOEREBSA-N 2 0 412.500 3.576 20 0 HHADRP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)C(F)(F)F ZINC000470438726 988410231 /nfs/dbraw/zinc/41/02/31/988410231.db2.gz QDUNKIFWJZALSO-SQNIBIBYSA-N 2 0 406.537 3.552 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721913 988747879 /nfs/dbraw/zinc/74/78/79/988747879.db2.gz DKPGWNBOOJNERT-RPWUZVMVSA-N 2 0 408.590 3.904 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737997 988773825 /nfs/dbraw/zinc/77/38/25/988773825.db2.gz RSBXVYPWAVAJSW-RTWAWAEBSA-N 2 0 400.592 3.657 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738475 988774839 /nfs/dbraw/zinc/77/48/39/988774839.db2.gz UQOHPESREWGJKE-UGKGYDQZSA-N 2 0 419.013 3.850 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000470738473 988775411 /nfs/dbraw/zinc/77/54/11/988775411.db2.gz UQOHPESREWGJKE-KNQAVFIVSA-N 2 0 419.013 3.850 20 0 HHADRP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746265 988785923 /nfs/dbraw/zinc/78/59/23/988785923.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 2 0 406.574 3.567 20 0 HHADRP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748193 988788170 /nfs/dbraw/zinc/78/81/70/988788170.db2.gz VDAGWHDDPZLPHF-VQTJNVASSA-N 2 0 400.592 3.657 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753552 988795725 /nfs/dbraw/zinc/79/57/25/988795725.db2.gz FHYVVMZHKKIDFX-LEWJYISDSA-N 2 0 418.651 3.894 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464831201 989071228 /nfs/dbraw/zinc/07/12/28/989071228.db2.gz MPJWFGCNURPBCP-WOJBJXKFSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000464946264 989238177 /nfs/dbraw/zinc/23/81/77/989238177.db2.gz HBVNEOJGRTUJAJ-QHCPKHFHSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000464953761 989249922 /nfs/dbraw/zinc/24/99/22/989249922.db2.gz RUVSFWPOPZYDDZ-HSZRJFAPSA-N 2 0 400.611 3.696 20 0 HHADRP CC(C)[C@H](C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH+](C)C ZINC000471235772 989382165 /nfs/dbraw/zinc/38/21/65/989382165.db2.gz UUTMDQLBALIHPX-XMMPIXPASA-N 2 0 408.590 3.529 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471353964 989521929 /nfs/dbraw/zinc/52/19/29/989521929.db2.gz PYHUUYXWWXUFQK-NHCUHLMSSA-N 2 0 405.586 3.708 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393398 989743190 /nfs/dbraw/zinc/74/31/90/989743190.db2.gz CBQMQEYQJKMSGF-WWNPGLIZSA-N 2 0 400.611 3.659 20 0 HHADRP COc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414480 989760920 /nfs/dbraw/zinc/76/09/20/989760920.db2.gz UAAXPWBGJFOSFQ-GMAHTHKFSA-N 2 0 416.610 3.738 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465427308 989772524 /nfs/dbraw/zinc/77/25/24/989772524.db2.gz ISGJCDQGFBPFQF-XMMPIXPASA-N 2 0 420.601 3.815 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465430292 989775398 /nfs/dbraw/zinc/77/53/98/989775398.db2.gz GZZLNGWVANCJRP-JAXLGGSGSA-N 2 0 414.619 3.603 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(F)c1 ZINC000465436236 989782111 /nfs/dbraw/zinc/78/21/11/989782111.db2.gz VDNNLCITTCDJBT-YFVAEKQCSA-N 2 0 418.582 3.872 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000471581841 989785480 /nfs/dbraw/zinc/78/54/80/989785480.db2.gz RBVRRNBNSYJQBF-PXNSSMCTSA-N 2 0 414.619 3.812 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000471591494 989795498 /nfs/dbraw/zinc/79/54/98/989795498.db2.gz WGOZVKCWIMYNMI-QFBILLFUSA-N 2 0 402.583 3.942 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601326 989804899 /nfs/dbraw/zinc/80/48/99/989804899.db2.gz ILCSXOJUXBVGFF-UNMCSNQZSA-N 2 0 414.619 3.952 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601323 989805052 /nfs/dbraw/zinc/80/50/52/989805052.db2.gz ILCSXOJUXBVGFF-IFMALSPDSA-N 2 0 414.619 3.952 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000471602205 989806087 /nfs/dbraw/zinc/80/60/87/989806087.db2.gz NKXMNBYXHUTHLX-SFTDATJTSA-N 2 0 421.589 3.590 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000471602203 989806357 /nfs/dbraw/zinc/80/63/57/989806357.db2.gz NKXMNBYXHUTHLX-NHCUHLMSSA-N 2 0 421.589 3.590 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000465519177 989871704 /nfs/dbraw/zinc/87/17/04/989871704.db2.gz GAZXOGIOPQNTAQ-ZRCGQRJVSA-N 2 0 400.611 3.790 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000465530012 989889685 /nfs/dbraw/zinc/88/96/85/989889685.db2.gz XYXNTLFRXBQKCP-FUPPJEDESA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465535290 989898379 /nfs/dbraw/zinc/89/83/79/989898379.db2.gz AKSOEXCWGRUFFJ-JTJHWIPRSA-N 2 0 406.640 3.798 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000465546586 989909403 /nfs/dbraw/zinc/90/94/03/989909403.db2.gz DKWSYRFWXPDAHT-FQEVSTJZSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555708 989919289 /nfs/dbraw/zinc/91/92/89/989919289.db2.gz YTUMEWAKMNNPCI-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000465558289 989923074 /nfs/dbraw/zinc/92/30/74/989923074.db2.gz OJSHDXLCLWFLLM-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465593856 989973211 /nfs/dbraw/zinc/97/32/11/989973211.db2.gz HMOPEAUISYGQEZ-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000465632453 990018978 /nfs/dbraw/zinc/01/89/78/990018978.db2.gz NUQFQCDREPOLJM-PZJWPPBQSA-N 2 0 400.592 3.692 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000471927878 990093999 /nfs/dbraw/zinc/09/39/99/990093999.db2.gz DWRWCOOGBKIENA-UHFFFAOYSA-N 2 0 402.583 3.891 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132888 /nfs/dbraw/zinc/13/28/88/990132888.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 2 0 400.592 3.562 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000465802920 990184654 /nfs/dbraw/zinc/18/46/54/990184654.db2.gz ACUDIURRAXXKJN-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000465804771 990187201 /nfs/dbraw/zinc/18/72/01/990187201.db2.gz CALQWIWJYXUZFI-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814223 990197524 /nfs/dbraw/zinc/19/75/24/990197524.db2.gz MCZJROCUIXGTTD-XUZZJYLKSA-N 2 0 408.590 3.904 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816776 990199863 /nfs/dbraw/zinc/19/98/63/990199863.db2.gz QOMPIPPTCAWZJW-RBBKRZOGSA-N 2 0 412.578 3.969 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820544 990203874 /nfs/dbraw/zinc/20/38/74/990203874.db2.gz XWPIDDUSNUAZJM-PKTZIBPZSA-N 2 0 424.589 3.888 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472046585 990214552 /nfs/dbraw/zinc/21/45/52/990214552.db2.gz ANSKSUSALNRMDI-QHCPKHFHSA-N 2 0 400.611 3.566 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000466024544 991193787 /nfs/dbraw/zinc/19/37/87/991193787.db2.gz DBGUQKKTMYBEAV-DYESRHJHSA-N 2 0 418.582 3.831 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000466070826 991242362 /nfs/dbraw/zinc/24/23/62/991242362.db2.gz AFVHFAJPTNEXAO-GHTZIAJQSA-N 2 0 418.607 3.806 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466101826 991280954 /nfs/dbraw/zinc/28/09/54/991280954.db2.gz QKOQKGNCIMHUIM-NFBKMPQASA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000466215524 991426615 /nfs/dbraw/zinc/42/66/15/991426615.db2.gz GJSHKGGAMBPOHR-HOYKHHGWSA-N 2 0 406.574 3.697 20 0 HHADRP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000466247870 991484295 /nfs/dbraw/zinc/48/42/95/991484295.db2.gz NBFJHAQUAIIVPV-NRFANRHFSA-N 2 0 422.573 3.736 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466514669 991801867 /nfs/dbraw/zinc/80/18/67/991801867.db2.gz MFVNFIKDQCKASI-UNMCSNQZSA-N 2 0 421.589 3.531 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466532435 991832241 /nfs/dbraw/zinc/83/22/41/991832241.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466872524 992193459 /nfs/dbraw/zinc/19/34/59/992193459.db2.gz LEXPMDFXKIYXLW-ZZYHAFTGSA-N 2 0 422.617 3.747 20 0 HHADRP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466913342 992228313 /nfs/dbraw/zinc/22/83/13/992228313.db2.gz RCGKZZXRYXWANA-NRFANRHFSA-N 2 0 415.622 3.639 20 0 HHADRP O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466931350 992243739 /nfs/dbraw/zinc/24/37/39/992243739.db2.gz UFNWIXGKDWSGLM-NRFANRHFSA-N 2 0 421.585 3.732 20 0 HHADRP CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467080031 992385851 /nfs/dbraw/zinc/38/58/51/992385851.db2.gz CDBDCEPIZKKORY-DEOSSOPVSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467089123 992394607 /nfs/dbraw/zinc/39/46/07/992394607.db2.gz CDCCVLITFFGNTR-PXDATVDWSA-N 2 0 422.617 3.891 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467109281 992418920 /nfs/dbraw/zinc/41/89/20/992418920.db2.gz HLYDCVFQOUBPPI-UHFFFAOYSA-N 2 0 402.970 3.748 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000467208228 992533362 /nfs/dbraw/zinc/53/33/62/992533362.db2.gz RSWBPDFVHKBFDI-NHCUHLMSSA-N 2 0 423.601 3.982 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccnn3-c3ccccc3)cc2)CC1 ZINC000467388602 992702232 /nfs/dbraw/zinc/70/22/32/992702232.db2.gz MJHGWWALYDUVER-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849986 993081557 /nfs/dbraw/zinc/08/15/57/993081557.db2.gz IDJRKBINUVOEAT-NBHGPNQESA-N 2 0 403.364 3.983 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000472103415 993153802 /nfs/dbraw/zinc/15/38/02/993153802.db2.gz FALGLMVNVZPQBW-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1c1ccccc1 ZINC000472116374 993167860 /nfs/dbraw/zinc/16/78/60/993167860.db2.gz XIJMQZFUDGIYMM-GUMHCPJTSA-N 2 0 424.511 3.536 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000472116889 993168930 /nfs/dbraw/zinc/16/89/30/993168930.db2.gz BYNKWJPCXZCIPS-ZKMFCFPVSA-N 2 0 412.622 3.851 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000472137270 993191015 /nfs/dbraw/zinc/19/10/15/993191015.db2.gz XEKWPBQVXIILEY-QFIPXVFZSA-N 2 0 417.601 3.963 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000472139883 993194693 /nfs/dbraw/zinc/19/46/93/993194693.db2.gz INQFJEBRIBUGEF-JOCHJYFZSA-N 2 0 417.601 3.963 20 0 HHADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000472158753 993209609 /nfs/dbraw/zinc/20/96/09/993209609.db2.gz NRJUQUZAWAQAIR-LJQANCHMSA-N 2 0 415.553 3.529 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167573 993214558 /nfs/dbraw/zinc/21/45/58/993214558.db2.gz ACRQQWWHRYHHSN-NOZRDPDXSA-N 2 0 420.601 3.718 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000472187063 993226518 /nfs/dbraw/zinc/22/65/18/993226518.db2.gz HHNAJGSDSPEBCH-UHFFFAOYSA-N 2 0 422.017 3.822 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000472336025 993344395 /nfs/dbraw/zinc/34/43/95/993344395.db2.gz MCICTZYMVBSAEY-DHIUTWEWSA-N 2 0 410.562 3.974 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472359651 993358086 /nfs/dbraw/zinc/35/80/86/993358086.db2.gz HQBYMYRGTPJHDV-XMMPIXPASA-N 2 0 420.601 3.815 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472369900 993366965 /nfs/dbraw/zinc/36/69/65/993366965.db2.gz QKZCBNJEJYUEMB-DEOSSOPVSA-N 2 0 408.590 3.802 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724203 993592533 /nfs/dbraw/zinc/59/25/33/993592533.db2.gz AVVSARSSYVLUJM-QFIPXVFZSA-N 2 0 422.617 3.512 20 0 HHADRP Cc1cccc([C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)c1 ZINC000480741791 993608612 /nfs/dbraw/zinc/60/86/12/993608612.db2.gz ALLLCAVAWPWUBG-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480763716 993629236 /nfs/dbraw/zinc/62/92/36/993629236.db2.gz HJWBAQWDWPQYLN-IBGZPJMESA-N 2 0 410.400 3.670 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000480779469 993646178 /nfs/dbraw/zinc/64/61/78/993646178.db2.gz LDOXMKHIEXZRKA-DVECYGJZSA-N 2 0 424.589 3.683 20 0 HHADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)cc1 ZINC000480907529 993764215 /nfs/dbraw/zinc/76/42/15/993764215.db2.gz GRSDASATTKNPDZ-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000481083842 993923357 /nfs/dbraw/zinc/92/33/57/993923357.db2.gz YXDPZMJYDBSTPP-JOCHJYFZSA-N 2 0 416.516 3.531 20 0 HHADRP C(=C/C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157789 994029313 /nfs/dbraw/zinc/02/93/13/994029313.db2.gz GLAGBFCIXIEDBZ-RBINCUJASA-N 2 0 402.538 3.805 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000481250680 994076631 /nfs/dbraw/zinc/07/66/31/994076631.db2.gz KUUYUIZQEUEYAY-LJQANCHMSA-N 2 0 403.368 3.837 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000481254233 994078313 /nfs/dbraw/zinc/07/83/13/994078313.db2.gz JUSPOHCOLAHKAB-IBGZPJMESA-N 2 0 406.452 3.509 20 0 HHADRP COc1cccc(C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000481256201 994079022 /nfs/dbraw/zinc/07/90/22/994079022.db2.gz VRRSLXOSFPRHGO-RUZDIDTESA-N 2 0 416.569 3.916 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331363 994150147 /nfs/dbraw/zinc/15/01/47/994150147.db2.gz PFDAAOAQHRJVIA-YKSBVNFPSA-N 2 0 423.605 3.950 20 0 HHADRP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000481409696 994244428 /nfs/dbraw/zinc/24/44/28/994244428.db2.gz VEPLWNFNCHVILL-HNNXBMFYSA-N 2 0 420.351 3.679 20 0 HHADRP CC1(C)CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2ccccc21 ZINC000481677668 994537314 /nfs/dbraw/zinc/53/73/14/994537314.db2.gz LLMYZXGPTPURCP-DENIHFKCSA-N 2 0 421.589 3.684 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)o2)c1 ZINC000473672591 994561055 /nfs/dbraw/zinc/56/10/55/994561055.db2.gz CLKGMDBKOZOWNA-UHFFFAOYSA-N 2 0 420.513 3.907 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481734838 994592138 /nfs/dbraw/zinc/59/21/38/994592138.db2.gz XHOYUNBNHOXZJO-QGZVFWFLSA-N 2 0 421.632 3.561 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000481736931 994593246 /nfs/dbraw/zinc/59/32/46/994593246.db2.gz OLKIFPADEKBKGR-IBGZPJMESA-N 2 0 415.603 3.822 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000473819581 994747868 /nfs/dbraw/zinc/74/78/68/994747868.db2.gz SMPUFSXTHJLZCJ-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000481922787 994795308 /nfs/dbraw/zinc/79/53/08/994795308.db2.gz YVXQFZRIXCXDDQ-QGZVFWFLSA-N 2 0 419.491 3.814 20 0 HHADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481923349 994795729 /nfs/dbraw/zinc/79/57/29/994795729.db2.gz ZPNUQJBJRHCGMA-LJQANCHMSA-N 2 0 416.031 3.801 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000473870868 994811815 /nfs/dbraw/zinc/81/18/15/994811815.db2.gz FIKXQVCUDQAOTP-SJLPKXTDSA-N 2 0 404.530 3.690 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473885738 994835335 /nfs/dbraw/zinc/83/53/35/994835335.db2.gz NPLPEMOHGVHQHN-VXKWHMMOSA-N 2 0 414.638 3.954 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000474004301 994993826 /nfs/dbraw/zinc/99/38/26/994993826.db2.gz DWQSMMCUOXEMAB-NZQKXSOJSA-N 2 0 400.611 3.975 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H](C)C1 ZINC000482113772 995060903 /nfs/dbraw/zinc/06/09/03/995060903.db2.gz ZDPWPNAUSQCHQU-AUSIDOKSSA-N 2 0 410.562 3.561 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000482113774 995061166 /nfs/dbraw/zinc/06/11/66/995061166.db2.gz ZDPWPNAUSQCHQU-CVDCTZTESA-N 2 0 410.562 3.561 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339975 995318476 /nfs/dbraw/zinc/31/84/76/995318476.db2.gz YSELBMWTMOUDCI-RTBURBONSA-N 2 0 419.591 3.529 20 0 HHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCCO2 ZINC000482437978 995431678 /nfs/dbraw/zinc/43/16/78/995431678.db2.gz LOKZLRSJSQRTLC-FQEVSTJZSA-N 2 0 415.969 3.536 20 0 HHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCCO2 ZINC000482437980 995432013 /nfs/dbraw/zinc/43/20/13/995432013.db2.gz LOKZLRSJSQRTLC-HXUWFJFHSA-N 2 0 415.969 3.536 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000474474429 995434076 /nfs/dbraw/zinc/43/40/76/995434076.db2.gz RZCYRJXXMLFRLB-KRWDZBQOSA-N 2 0 422.333 3.830 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H](C)c3ccc(OC)c(OC)c3)cn2)CC1 ZINC000474478733 995438305 /nfs/dbraw/zinc/43/83/05/995438305.db2.gz BCOHDDOHUGIPIZ-RTBURBONSA-N 2 0 412.578 3.523 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)c(C)c2c1 ZINC000482458341 995460386 /nfs/dbraw/zinc/46/03/86/995460386.db2.gz MBMXBWSHYWIBBR-IBGZPJMESA-N 2 0 423.561 3.793 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482458523 995461503 /nfs/dbraw/zinc/46/15/03/995461503.db2.gz XXSLLEYPRYDUSM-NRFANRHFSA-N 2 0 416.573 3.792 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000474518974 995482553 /nfs/dbraw/zinc/48/25/53/995482553.db2.gz WTYULBZKTWMCCJ-VXKWHMMOSA-N 2 0 422.617 3.916 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000474519659 995483303 /nfs/dbraw/zinc/48/33/03/995483303.db2.gz RGKDHYMOVKRMHX-WOJBJXKFSA-N 2 0 400.611 3.659 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000482510031 995520451 /nfs/dbraw/zinc/52/04/51/995520451.db2.gz NCJSBRHKRSIRNY-DLBZAZTESA-N 2 0 402.608 3.661 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000482528048 995536370 /nfs/dbraw/zinc/53/63/70/995536370.db2.gz IGZKUWJOOVBXDA-UHFFFAOYSA-N 2 0 408.590 3.607 20 0 HHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545834 995553964 /nfs/dbraw/zinc/55/39/64/995553964.db2.gz ZZSIUXHJRJQHRJ-OFNKIYASSA-N 2 0 409.574 3.812 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000474615252 995567227 /nfs/dbraw/zinc/56/72/27/995567227.db2.gz QCSIDGSYYWYGAG-TZGNXLPDSA-N 2 0 402.579 3.897 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636848 995631149 /nfs/dbraw/zinc/63/11/49/995631149.db2.gz ACUSLUYAUQRTRU-DENIHFKCSA-N 2 0 411.521 3.527 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636037 995631458 /nfs/dbraw/zinc/63/14/58/995631458.db2.gz LIPGILONEZTONQ-RXVVDRJESA-N 2 0 413.562 3.850 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636850 995632014 /nfs/dbraw/zinc/63/20/14/995632014.db2.gz ACUSLUYAUQRTRU-SIKLNZKXSA-N 2 0 411.521 3.527 20 0 HHADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000474712677 995651359 /nfs/dbraw/zinc/65/13/59/995651359.db2.gz OBEZRAVKIJGGQY-HNNXBMFYSA-N 2 0 400.348 3.934 20 0 HHADRP Cc1c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482658436 995651621 /nfs/dbraw/zinc/65/16/21/995651621.db2.gz QLTHSOYTIULIRN-GJZGRUSLSA-N 2 0 410.393 3.774 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000474725446 995661135 /nfs/dbraw/zinc/66/11/35/995661135.db2.gz YUZIESRILWVIIX-IAGOWNOFSA-N 2 0 410.587 3.870 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995704980 /nfs/dbraw/zinc/70/49/80/995704980.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 0 409.659 3.527 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815308 995768364 /nfs/dbraw/zinc/76/83/64/995768364.db2.gz NDFIUNBJVZVHMZ-UZLBHIALSA-N 2 0 417.500 3.836 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc2ccccc2n1 ZINC000482822861 995772505 /nfs/dbraw/zinc/77/25/05/995772505.db2.gz ROSTXYBSWIOPMC-XMSQKQJNSA-N 2 0 402.542 3.783 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837318 995782539 /nfs/dbraw/zinc/78/25/39/995782539.db2.gz JFLPRGGTXVSZRN-TZRRMPRUSA-N 2 0 412.622 3.660 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000474947636 995818520 /nfs/dbraw/zinc/81/85/20/995818520.db2.gz YWJZJISTFBZJJM-MSYCTHLASA-N 2 0 412.574 3.942 20 0 HHADRP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010992 995867516 /nfs/dbraw/zinc/86/75/16/995867516.db2.gz ZVBHFUOAEHBXFQ-DEOSSOPVSA-N 2 0 406.574 3.698 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000482944452 995871645 /nfs/dbraw/zinc/87/16/45/995871645.db2.gz IDVXZDUETFPESV-IBGZPJMESA-N 2 0 415.603 3.822 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000475147961 995954230 /nfs/dbraw/zinc/95/42/30/995954230.db2.gz ARXKLWHASCXYSK-DNVCBOLYSA-N 2 0 409.452 3.655 20 0 HHADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000483201107 996034277 /nfs/dbraw/zinc/03/42/77/996034277.db2.gz OJMGHFKOCOBIDE-UWJYYQICSA-N 2 0 421.607 3.775 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000475306626 996058450 /nfs/dbraw/zinc/05/84/50/996058450.db2.gz STNLBSZGWRTGGL-UHFFFAOYSA-N 2 0 416.610 3.613 20 0 HHADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483425492 996170515 /nfs/dbraw/zinc/17/05/15/996170515.db2.gz XZBBAMOCNKZCAQ-QGZVFWFLSA-N 2 0 413.528 3.947 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000483516537 996227932 /nfs/dbraw/zinc/22/79/32/996227932.db2.gz YHULZVYFCJVDIN-LJQANCHMSA-N 2 0 413.585 3.921 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@@H]1C ZINC000483526930 996233545 /nfs/dbraw/zinc/23/35/45/996233545.db2.gz BGVGGBODMNSYOA-IEIRFRATSA-N 2 0 416.610 3.736 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc32)(N2CCCCC2)CC1 ZINC000483543382 996241938 /nfs/dbraw/zinc/24/19/38/996241938.db2.gz YHNPFVDBPJVATK-FQEVSTJZSA-N 2 0 406.412 3.976 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327592 /nfs/dbraw/zinc/32/75/92/996327592.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 2 0 424.585 3.561 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@H]1C ZINC000483692273 996331755 /nfs/dbraw/zinc/33/17/55/996331755.db2.gz LFHINYXDWLSOAU-OFNKIYASSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000483736247 996357628 /nfs/dbraw/zinc/35/76/28/996357628.db2.gz XWUFURULOHRTGX-REWPJTCUSA-N 2 0 400.611 3.933 20 0 HHADRP C[N@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000483810552 996402830 /nfs/dbraw/zinc/40/28/30/996402830.db2.gz UTLOQPVNIHOARV-CWAQXLGLSA-N 2 0 424.564 3.752 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483834886 996417251 /nfs/dbraw/zinc/41/72/51/996417251.db2.gz KWJNCKUAQHBDOD-QKLQHJQFSA-N 2 0 413.400 3.943 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483876473 996442357 /nfs/dbraw/zinc/44/23/57/996442357.db2.gz NCAXXXXIOCUBMW-IFMALSPDSA-N 2 0 400.611 3.851 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000475995482 996524882 /nfs/dbraw/zinc/52/48/82/996524882.db2.gz NWZARFOGLTZOLT-UHFFFAOYSA-N 2 0 400.611 3.865 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000476001657 996531031 /nfs/dbraw/zinc/53/10/31/996531031.db2.gz AGOPZAMVIDKMBF-UHFFFAOYSA-N 2 0 402.583 3.683 20 0 HHADRP Cc1cccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000484149703 996600699 /nfs/dbraw/zinc/60/06/99/996600699.db2.gz WQMSBAFRWCRAHL-PMACEKPBSA-N 2 0 417.619 3.679 20 0 HHADRP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000484182760 996622116 /nfs/dbraw/zinc/62/21/16/996622116.db2.gz YLGYZWQTUZODMH-CYBMUJFWSA-N 2 0 424.408 3.988 20 0 HHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC(F)F ZINC000484294532 996684623 /nfs/dbraw/zinc/68/46/23/996684623.db2.gz BRMVFIUAFOHHCT-GOSISDBHSA-N 2 0 411.537 3.955 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Br)s1 ZINC000484313961 996696920 /nfs/dbraw/zinc/69/69/20/996696920.db2.gz VJRTZYBMNBQUEI-CYBMUJFWSA-N 2 0 416.429 3.788 20 0 HHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484494403 996818116 /nfs/dbraw/zinc/81/81/16/996818116.db2.gz DBOWFVLFTVEABP-QPXQOZNCSA-N 2 0 415.603 3.865 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1)C[C@@H]1CCCCO1 ZINC000484656671 996994050 /nfs/dbraw/zinc/99/40/50/996994050.db2.gz RKGZSXRFOMQKID-GMAHTHKFSA-N 2 0 416.610 3.882 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000476800478 997349035 /nfs/dbraw/zinc/34/90/35/997349035.db2.gz BTIBYTIPGTZFFQ-XLIONFOSSA-N 2 0 422.017 3.676 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000476871371 997447209 /nfs/dbraw/zinc/44/72/09/997447209.db2.gz DDGXYIOIMSQKNG-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000485115971 997498852 /nfs/dbraw/zinc/49/88/52/997498852.db2.gz ZCRBAQUYERUJCR-FGZHOGPDSA-N 2 0 400.611 3.513 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476931580 997545449 /nfs/dbraw/zinc/54/54/49/997545449.db2.gz UYDYYHXLWVRWDY-UHFFFAOYSA-N 2 0 407.002 3.822 20 0 HHADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000476970547 997588630 /nfs/dbraw/zinc/58/86/30/997588630.db2.gz IDMWKYCPJJDQQX-FQEVSTJZSA-N 2 0 401.595 3.630 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477029980 997662078 /nfs/dbraw/zinc/66/20/78/997662078.db2.gz UVCJNNBNFQYANB-CZAAIQMYSA-N 2 0 407.961 3.995 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000485287351 997685971 /nfs/dbraw/zinc/68/59/71/997685971.db2.gz KJAGNMNWNJMGSH-KZTDQWPFSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292010 997693985 /nfs/dbraw/zinc/69/39/85/997693985.db2.gz RQJQZFOYMGOVMN-JDBUVZGPSA-N 2 0 412.622 3.790 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@@H]21 ZINC000485309384 997718538 /nfs/dbraw/zinc/71/85/38/997718538.db2.gz QLUILISEMYLTTC-HLAWJBBLSA-N 2 0 404.986 3.603 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000485397056 997825995 /nfs/dbraw/zinc/82/59/95/997825995.db2.gz QOGMAKAGWABNOU-ACRUOGEOSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399172 997829522 /nfs/dbraw/zinc/82/95/22/997829522.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 2 0 420.601 3.645 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000485616731 998064112 /nfs/dbraw/zinc/06/41/12/998064112.db2.gz SCOYMBMQABTCGM-SGNDLWITSA-N 2 0 412.622 3.803 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000486142744 998591562 /nfs/dbraw/zinc/59/15/62/998591562.db2.gz CUSNNNUHYKEPGJ-QHCPKHFHSA-N 2 0 421.589 3.607 20 0 HHADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486332031 998715843 /nfs/dbraw/zinc/71/58/43/998715843.db2.gz KOYVDNCUSQWYGT-GMAHTHKFSA-N 2 0 400.611 3.708 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000486338760 998718886 /nfs/dbraw/zinc/71/88/86/998718886.db2.gz ANHRPVDGPRPBCN-YADHBBJMSA-N 2 0 414.594 3.535 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345987 998722237 /nfs/dbraw/zinc/72/22/37/998722237.db2.gz NVVYLASQGGVKBB-KGSLCBSSSA-N 2 0 400.611 3.564 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045176 998732040 /nfs/dbraw/zinc/73/20/40/998732040.db2.gz WHPDCDQCHPDPSC-OEMFJLHTSA-N 2 0 410.606 3.555 20 0 HHADRP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400026 998748625 /nfs/dbraw/zinc/74/86/25/998748625.db2.gz CYYNJHYJDGFUSF-WIYYLYMNSA-N 2 0 411.512 3.936 20 0 HHADRP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000487310375 999131344 /nfs/dbraw/zinc/13/13/44/999131344.db2.gz XTTCBAJTWXJFNP-UHFFFAOYSA-N 2 0 415.965 3.854 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000478807660 999150513 /nfs/dbraw/zinc/15/05/13/999150513.db2.gz RIUSUGJVBNEGPB-YKSBVNFPSA-N 2 0 408.590 3.684 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479055211 999270746 /nfs/dbraw/zinc/27/07/46/999270746.db2.gz GWARQDKOTVDLON-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](C)C ZINC000487759256 999279463 /nfs/dbraw/zinc/27/94/63/999279463.db2.gz YXHDBIWDVGHJRV-WMZHIEFXSA-N 2 0 400.611 3.940 20 0 HHADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000487813544 999299396 /nfs/dbraw/zinc/29/93/96/999299396.db2.gz AKLPGEYHIDGSAU-GOSISDBHSA-N 2 0 419.013 3.820 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1cccc(OC)c1 ZINC000488127783 999385059 /nfs/dbraw/zinc/38/50/59/999385059.db2.gz KTTUZGZRALDDOT-WMZHIEFXSA-N 2 0 416.610 3.594 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cc(Br)ccc43)cn2)CC1 ZINC000479331194 999388823 /nfs/dbraw/zinc/38/88/23/999388823.db2.gz OZYBYGMICYHDLV-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000479348813 999397782 /nfs/dbraw/zinc/39/77/82/999397782.db2.gz NEISNKMUJOPMTC-LEWJYISDSA-N 2 0 418.607 3.740 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4cc(Br)ccc43)ccn2)CC1 ZINC000479348887 999397810 /nfs/dbraw/zinc/39/78/10/999397810.db2.gz KDAPQDHLMPCUCG-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000479356960 999401022 /nfs/dbraw/zinc/40/10/22/999401022.db2.gz YFRAGQBVWRWOFJ-HPJCCJEISA-N 2 0 412.622 3.931 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000488268105 999417403 /nfs/dbraw/zinc/41/74/03/999417403.db2.gz NENYDTZIRJLWGB-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479452873 999424247 /nfs/dbraw/zinc/42/42/47/999424247.db2.gz IKOHPKNNYIWQFB-SVFBPWRDSA-N 2 0 415.603 3.512 20 0 HHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467637 999429990 /nfs/dbraw/zinc/42/99/90/999429990.db2.gz WGSLIKXTTAGDKC-FYYLOGMGSA-N 2 0 409.574 3.716 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000488363372 999457792 /nfs/dbraw/zinc/45/77/92/999457792.db2.gz TZFFQLRJUKCGGK-UHFFFAOYSA-N 2 0 403.464 3.515 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccco1 ZINC000488459711 999493515 /nfs/dbraw/zinc/49/35/15/999493515.db2.gz LSQMJNCSWBNXGG-WIOPSUGQSA-N 2 0 424.589 3.970 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000488478567 999501566 /nfs/dbraw/zinc/50/15/66/999501566.db2.gz PNTLBZWSVYIENC-GBXCKJPGSA-N 2 0 423.626 3.876 20 0 HHADRP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488544535 999523085 /nfs/dbraw/zinc/52/30/85/999523085.db2.gz GYMXRTKQPARUTO-OFNKIYASSA-N 2 0 421.589 3.508 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488564334 999529331 /nfs/dbraw/zinc/52/93/31/999529331.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 2 0 420.601 3.859 20 0 HHADRP CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000488710017 999583028 /nfs/dbraw/zinc/58/30/28/999583028.db2.gz DJIUUFRJHPTDKU-QHCPKHFHSA-N 2 0 407.587 3.952 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000479875531 999632863 /nfs/dbraw/zinc/63/28/63/999632863.db2.gz QZQDJTLDSAEBLE-DLBZAZTESA-N 2 0 424.010 3.982 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1)C(C)C ZINC000479978498 999671550 /nfs/dbraw/zinc/67/15/50/999671550.db2.gz GUWYLZLJPXXDDL-UHFFFAOYSA-N 2 0 423.601 3.804 20 0 HHADRP C[C@@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000489080105 999692815 /nfs/dbraw/zinc/69/28/15/999692815.db2.gz SSVJJAWOOPCUOB-VWLOTQADSA-N 2 0 421.589 3.652 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000489140514 999710419 /nfs/dbraw/zinc/71/04/19/999710419.db2.gz PODMZCDOARQAQW-PTUXOGIPSA-N 2 0 424.589 3.935 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000489204477 999721888 /nfs/dbraw/zinc/72/18/88/999721888.db2.gz IPGZXPJPNDXVOI-NRFANRHFSA-N 2 0 418.582 3.701 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000489204478 999721930 /nfs/dbraw/zinc/72/19/30/999721930.db2.gz IPGZXPJPNDXVOI-OAQYLSRUSA-N 2 0 418.582 3.701 20 0 HHADRP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000480159950 999733697 /nfs/dbraw/zinc/73/36/97/999733697.db2.gz NHFMPDSUGSVZJU-CVDCTZTESA-N 2 0 417.619 3.965 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489322800 999745416 /nfs/dbraw/zinc/74/54/16/999745416.db2.gz KNAJZFAVCSOQDF-DEOSSOPVSA-N 2 0 420.601 3.957 20 0 HHADRP c1cn(C2CC[NH+](Cc3cccc(C[NH+]4CCC(n5ccnc5)CC4)c3)CC2)cn1 ZINC000489384781 999755969 /nfs/dbraw/zinc/75/59/69/999755969.db2.gz BEUPWLROUGNXQH-UHFFFAOYSA-N 2 0 404.562 3.754 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489430284 999766021 /nfs/dbraw/zinc/76/60/21/999766021.db2.gz GRDODQKTCQKTIN-NJYVYQBISA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000489441933 999768086 /nfs/dbraw/zinc/76/80/86/999768086.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000489445077 999769075 /nfs/dbraw/zinc/76/90/75/999769075.db2.gz LFSJCEPQUHZTHX-GBXCKJPGSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000489520294 999783142 /nfs/dbraw/zinc/78/31/42/999783142.db2.gz YKEGWUANTPJMTA-MRXNPFEDSA-N 2 0 421.358 3.846 20 0 HHADRP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455698 999803225 /nfs/dbraw/zinc/80/32/25/999803225.db2.gz WBIHZKUIGXEFEW-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489648078 999809569 /nfs/dbraw/zinc/80/95/69/999809569.db2.gz LEFYMHHBSOBXBW-JOCHJYFZSA-N 2 0 407.602 3.886 20 0 HHADRP COCCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000480522499 999818010 /nfs/dbraw/zinc/81/80/10/999818010.db2.gz CYNSKWWHHRCRBQ-HXUWFJFHSA-N 2 0 412.416 3.532 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489705650 999821205 /nfs/dbraw/zinc/82/12/05/999821205.db2.gz ASMSJACZXWNPHD-QHCPKHFHSA-N 2 0 420.601 3.646 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730562 999826630 /nfs/dbraw/zinc/82/66/30/999826630.db2.gz XRDJWZMUHRBGPF-BSZKWMGISA-N 2 0 412.622 3.515 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748314 999830119 /nfs/dbraw/zinc/83/01/19/999830119.db2.gz SVCRWWTZCMULTF-QNWVGRARSA-N 2 0 412.622 3.803 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602973 999838226 /nfs/dbraw/zinc/83/82/26/999838226.db2.gz QVTVGOFFACSMMH-OALUTQOASA-N 2 0 415.603 3.820 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000480608505 999839585 /nfs/dbraw/zinc/83/95/85/999839585.db2.gz JTEMEOJQJWYODU-NBGIEHNGSA-N 2 0 411.590 3.603 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2)C[C@H](C)O1 ZINC000480610462 999840366 /nfs/dbraw/zinc/84/03/66/999840366.db2.gz JBXGLJXHPLELGM-IUBSTNSRSA-N 2 0 408.590 3.695 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612508 999840963 /nfs/dbraw/zinc/84/09/63/999840963.db2.gz PCVCLOQGRHLGNT-RBUKOAKNSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489822705 999844394 /nfs/dbraw/zinc/84/43/94/999844394.db2.gz ALPXHNMMCNAVAI-GIWBLDEGSA-N 2 0 400.611 3.708 20 0 HHADRP CCOc1ccc([C@H](CC)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1OCC ZINC000480685652 999858905 /nfs/dbraw/zinc/85/89/05/999858905.db2.gz AZXBCQAHSHONPG-NRFANRHFSA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(NC(=O)NC(C)C)cc3)cn2)CC1 ZINC000480690701 999860128 /nfs/dbraw/zinc/86/01/28/999860128.db2.gz BBGCZCCQWYJKGM-LJQANCHMSA-N 2 0 424.593 3.604 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693259 999860944 /nfs/dbraw/zinc/86/09/44/999860944.db2.gz LVUBWGURNGAAHS-HSZRJFAPSA-N 2 0 409.574 3.836 20 0 HHADRP O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712630 999865692 /nfs/dbraw/zinc/86/56/92/999865692.db2.gz UEMPRNMYSBOYDG-GOSISDBHSA-N 2 0 405.533 3.700 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490932096 1000025227 /nfs/dbraw/zinc/02/52/27/1000025227.db2.gz HOHCUPUJOZGPRT-QHCPKHFHSA-N 2 0 424.614 3.674 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000490954040 1000027071 /nfs/dbraw/zinc/02/70/71/1000027071.db2.gz XKZPTZOZHLTNHO-UHFFFAOYSA-N 2 0 404.624 3.662 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987272 1000030698 /nfs/dbraw/zinc/03/06/98/1000030698.db2.gz JECUWBIRVDRUDJ-PABCKOPISA-N 2 0 412.622 3.659 20 0 HHADRP C[C@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000197 1000032318 /nfs/dbraw/zinc/03/23/18/1000032318.db2.gz ZNPCSTRDFBTRSB-AZUAARDMSA-N 2 0 413.528 3.822 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000491022950 1000035203 /nfs/dbraw/zinc/03/52/03/1000035203.db2.gz QLBLSJVSJZPQNH-JOCHJYFZSA-N 2 0 422.541 3.779 20 0 HHADRP C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)n2)CC1 ZINC000491246357 1000058402 /nfs/dbraw/zinc/05/84/02/1000058402.db2.gz FMRNFGMWUIULMU-UHFFFAOYSA-N 2 0 424.593 3.848 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc2C1 ZINC000491316809 1000064379 /nfs/dbraw/zinc/06/43/79/1000064379.db2.gz MSCQHUGGGPEVQX-DYLHXGEVSA-N 2 0 421.585 3.879 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491322667 1000065174 /nfs/dbraw/zinc/06/51/74/1000065174.db2.gz MBUQRKSMZJUWPH-IBGZPJMESA-N 2 0 424.593 3.846 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)CC1 ZINC000491336150 1000066235 /nfs/dbraw/zinc/06/62/35/1000066235.db2.gz TYKKLRMDOZAZLF-UHFFFAOYSA-N 2 0 424.593 3.703 20 0 HHADRP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043716 1000106473 /nfs/dbraw/zinc/10/64/73/1000106473.db2.gz ODQKYHVPXFCZEC-IFMALSPDSA-N 2 0 424.589 3.968 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000493033400 1000154534 /nfs/dbraw/zinc/15/45/34/1000154534.db2.gz DWPOJHPUZMSKSJ-QHCPKHFHSA-N 2 0 419.972 3.548 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000493245505 1000165010 /nfs/dbraw/zinc/16/50/10/1000165010.db2.gz CMCXFZYORUZHKW-IBGZPJMESA-N 2 0 407.327 3.724 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000493250415 1000165327 /nfs/dbraw/zinc/16/53/27/1000165327.db2.gz RZUDBROSMUGBAY-LJQANCHMSA-N 2 0 407.327 3.724 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)cs1 ZINC000493766711 1000191305 /nfs/dbraw/zinc/19/13/05/1000191305.db2.gz KMAYCCQVJNSRDP-OAHLLOKOSA-N 2 0 409.397 3.769 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Br)cs1 ZINC000493925161 1000217692 /nfs/dbraw/zinc/21/76/92/1000217692.db2.gz KCZDNLAJOYLWEO-OAHLLOKOSA-N 2 0 424.412 3.554 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493931989 1000222269 /nfs/dbraw/zinc/22/22/69/1000222269.db2.gz KADZRDMGXVDELE-UHFFFAOYSA-N 2 0 409.574 3.933 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(c4ccc(Br)cc4)C3)CC2)CC1 ZINC000493961012 1000239282 /nfs/dbraw/zinc/23/92/82/1000239282.db2.gz OMJBRWAQWCIVDY-UHFFFAOYSA-N 2 0 406.412 3.843 20 0 HHADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc2[nH]ccc21 ZINC000493999876 1000260598 /nfs/dbraw/zinc/26/05/98/1000260598.db2.gz MTXVFJVVVGCWHD-UHFFFAOYSA-N 2 0 408.571 3.787 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)C2)CC1 ZINC000504568369 1000274289 /nfs/dbraw/zinc/27/42/89/1000274289.db2.gz NJVYJNVICKIQCX-QFIPXVFZSA-N 2 0 415.647 3.820 20 0 HHADRP Cn1cc([C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000494745379 1000631776 /nfs/dbraw/zinc/63/17/76/1000631776.db2.gz ISQQKWCVPIYUSR-VWLOTQADSA-N 2 0 422.548 3.956 20 0 HHADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000494871846 1000706566 /nfs/dbraw/zinc/70/65/66/1000706566.db2.gz DAWAUHPNAQQSDB-DHLKQENFSA-N 2 0 411.565 3.701 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926770 1000733689 /nfs/dbraw/zinc/73/36/89/1000733689.db2.gz ZIQHXYHZXGHTQZ-VAMGGRTRSA-N 2 0 409.574 3.848 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505386043 1000741257 /nfs/dbraw/zinc/74/12/57/1000741257.db2.gz GAFKLCHWINUQMJ-CYFREDJKSA-N 2 0 424.589 3.650 20 0 HHADRP Cc1noc(C2CCC([NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000495073760 1000814512 /nfs/dbraw/zinc/81/45/12/1000814512.db2.gz JXQFNYKHAUBIBS-LSJNQWAISA-N 2 0 401.530 3.646 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000505822709 1001045176 /nfs/dbraw/zinc/04/51/76/1001045176.db2.gz BVPXTIMFUREAGJ-CQSZACIVSA-N 2 0 411.377 3.963 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505857478 1001064760 /nfs/dbraw/zinc/06/47/60/1001064760.db2.gz RPKLXANYESHXOI-JTHBVZDNSA-N 2 0 421.585 3.557 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000506012941 1001162508 /nfs/dbraw/zinc/16/25/08/1001162508.db2.gz PHTJQXVIFNIKPY-RTBURBONSA-N 2 0 422.013 3.730 20 0 HHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506027536 1001173683 /nfs/dbraw/zinc/17/36/83/1001173683.db2.gz MINZXTXRKSFFBV-FQEVSTJZSA-N 2 0 415.622 3.963 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)C[C@H]1C ZINC000497345622 1001301920 /nfs/dbraw/zinc/30/19/20/1001301920.db2.gz FEFNLMJAGBEEBP-CQOQZXRMSA-N 2 0 415.622 3.855 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000497611016 1001458013 /nfs/dbraw/zinc/45/80/13/1001458013.db2.gz LFRJWBQZOILHIM-YADARESESA-N 2 0 424.589 3.823 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000497701145 1001490372 /nfs/dbraw/zinc/49/03/72/1001490372.db2.gz ILEHSHVAZILGGO-RMVXJAJNSA-N 2 0 419.585 3.986 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497850639 1001536661 /nfs/dbraw/zinc/53/66/61/1001536661.db2.gz BZYKITUGZZVQIW-FQEVSTJZSA-N 2 0 406.368 3.747 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497851946 1001537112 /nfs/dbraw/zinc/53/71/12/1001537112.db2.gz GUEOVFFZJPTVQY-UTKZUKDTSA-N 2 0 420.395 3.995 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497851947 1001537212 /nfs/dbraw/zinc/53/72/12/1001537212.db2.gz GUEOVFFZJPTVQY-UWJYYQICSA-N 2 0 420.395 3.995 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922044 1001595006 /nfs/dbraw/zinc/59/50/06/1001595006.db2.gz MPHMXBZYNIRUCI-BHDDXSALSA-N 2 0 412.622 3.729 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000498031327 1001613608 /nfs/dbraw/zinc/61/36/08/1001613608.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 2 0 418.607 3.888 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129002 1001653740 /nfs/dbraw/zinc/65/37/40/1001653740.db2.gz XWSNDZCNSOGXDG-XUVXKRRUSA-N 2 0 404.624 3.647 20 0 HHADRP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000507012370 1001763546 /nfs/dbraw/zinc/76/35/46/1001763546.db2.gz JNJYUVICXFLJCZ-CTNGQTDRSA-N 2 0 415.578 3.679 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498353382 1001790865 /nfs/dbraw/zinc/79/08/65/1001790865.db2.gz ITTSBAJZHMYFCX-JOCHJYFZSA-N 2 0 404.574 3.677 20 0 HHADRP Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204342 1001893257 /nfs/dbraw/zinc/89/32/57/1001893257.db2.gz KOXRIQXRZFPBCN-FYYLOGMGSA-N 2 0 405.586 3.954 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC000498618104 1002019090 /nfs/dbraw/zinc/01/90/90/1002019090.db2.gz MBWNPKBSVCRBNA-GOTSBHOMSA-N 2 0 407.558 3.613 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694778 1002081529 /nfs/dbraw/zinc/08/15/29/1002081529.db2.gz MUJJAMOIVZRVSW-WIOPSUGQSA-N 2 0 422.617 3.979 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000507460653 1002084236 /nfs/dbraw/zinc/08/42/36/1002084236.db2.gz JBZDQFUHQIHWSS-QZTJIDSGSA-N 2 0 413.528 3.802 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714417 1002096910 /nfs/dbraw/zinc/09/69/10/1002096910.db2.gz LGMVSNSZTXYGLX-FPOVZHCZSA-N 2 0 414.619 3.732 20 0 HHADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000507513871 1002125078 /nfs/dbraw/zinc/12/50/78/1002125078.db2.gz RTOBICLHCSPRRE-GVXSCFBNSA-N 2 0 424.633 3.993 20 0 HHADRP CC[C@@H](C)Oc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498832939 1002219131 /nfs/dbraw/zinc/21/91/31/1002219131.db2.gz WCGXSYYVURQVMR-LJQANCHMSA-N 2 0 411.550 3.593 20 0 HHADRP CCCCOc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498834033 1002219977 /nfs/dbraw/zinc/21/99/77/1002219977.db2.gz YWNIEZJMEDBTHK-UHFFFAOYSA-N 2 0 411.550 3.594 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(-c2nccs2)cc1 ZINC000498854017 1002238200 /nfs/dbraw/zinc/23/82/00/1002238200.db2.gz KVZKRWLDVRRFNR-UHFFFAOYSA-N 2 0 422.558 3.539 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498901018 1002292507 /nfs/dbraw/zinc/29/25/07/1002292507.db2.gz LFBZTXRTUWDKPR-FYYLOGMGSA-N 2 0 400.611 3.947 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498919548 1002314187 /nfs/dbraw/zinc/31/41/87/1002314187.db2.gz PBXMSOYDJBPFMD-JOCHJYFZSA-N 2 0 401.570 3.978 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000499001075 1002379933 /nfs/dbraw/zinc/37/99/33/1002379933.db2.gz CERCVZRFZTUYEO-UPVQGACJSA-N 2 0 423.605 3.537 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000507954583 1002488226 /nfs/dbraw/zinc/48/82/26/1002488226.db2.gz WNIVRYGOEZHRDT-UHFFFAOYSA-N 2 0 415.622 3.814 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499102910 1002494350 /nfs/dbraw/zinc/49/43/50/1002494350.db2.gz RWWPEEVHFFMJDR-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091258 1002614229 /nfs/dbraw/zinc/61/42/29/1002614229.db2.gz WHHRRKOTRUNNNH-GOSISDBHSA-N 2 0 413.587 3.796 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499252945 1002652165 /nfs/dbraw/zinc/65/21/65/1002652165.db2.gz HKUVZUSSFYXYFV-OOSCYNTBSA-N 3 0 419.613 3.929 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499252946 1002652289 /nfs/dbraw/zinc/65/22/89/1002652289.db2.gz HKUVZUSSFYXYFV-PBROBROCSA-N 3 0 419.613 3.929 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000508285830 1002794748 /nfs/dbraw/zinc/79/47/48/1002794748.db2.gz HFJVRSFQLRFZIS-SFTDATJTSA-N 2 0 402.627 3.903 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000508560410 1003030026 /nfs/dbraw/zinc/03/00/26/1003030026.db2.gz JWCVNKVGCYLAOY-QFIPXVFZSA-N 2 0 419.560 3.915 20 0 HHADRP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699968 1003138180 /nfs/dbraw/zinc/13/81/80/1003138180.db2.gz PKRGUNZVTGYIRH-IRLDBZIGSA-N 2 0 422.569 3.964 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712686 1003150613 /nfs/dbraw/zinc/15/06/13/1003150613.db2.gz ROMYTALSLJVDQV-UNMCSNQZSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852678 1003273449 /nfs/dbraw/zinc/27/34/49/1003273449.db2.gz MWVIOGMYMUKUQS-GBXCKJPGSA-N 2 0 408.590 3.984 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868863 1003289568 /nfs/dbraw/zinc/28/95/68/1003289568.db2.gz WHLUKCHCCLLDGP-NMTNEYKDSA-N 2 0 423.605 3.716 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870112 1003290798 /nfs/dbraw/zinc/29/07/98/1003290798.db2.gz KQWLJAFLZGJYEH-DENIHFKCSA-N 2 0 400.567 3.743 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877427 1003297504 /nfs/dbraw/zinc/29/75/04/1003297504.db2.gz YCOIRVSQXQLEBC-AUSIDOKSSA-N 2 0 409.578 3.641 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3conc3Cc3ccccc3)CC2)CC1 ZINC000508878886 1003299739 /nfs/dbraw/zinc/29/97/39/1003299739.db2.gz NPVHUWXHDSPBHZ-UHFFFAOYSA-N 2 0 410.606 3.894 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894901 1003325465 /nfs/dbraw/zinc/32/54/65/1003325465.db2.gz ONCUEROBNHKBTE-TYBLODHISA-N 2 0 416.606 3.956 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+](C)C ZINC000508903864 1003341665 /nfs/dbraw/zinc/34/16/65/1003341665.db2.gz YHYVZZHZTUXBJV-WIYYLYMNSA-N 2 0 402.608 3.821 20 0 HHADRP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500024100 1003350078 /nfs/dbraw/zinc/35/00/78/1003350078.db2.gz IFBOQKOFIHKQRF-NRFANRHFSA-N 2 0 424.589 3.609 20 0 HHADRP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941894 1003394963 /nfs/dbraw/zinc/39/49/63/1003394963.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 2 0 411.512 3.820 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000500101143 1003463335 /nfs/dbraw/zinc/46/33/35/1003463335.db2.gz WWAGFNBXAMNFKA-UHFFFAOYSA-N 2 0 418.651 3.689 20 0 HHADRP CC(C)[NH+]1CCN(CCCN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000500123143 1003485393 /nfs/dbraw/zinc/48/53/93/1003485393.db2.gz JXDUEGWGWLYQNA-UHFFFAOYSA-N 2 0 416.698 3.627 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000509021446 1003493097 /nfs/dbraw/zinc/49/30/97/1003493097.db2.gz HVGVBRFKUTXKMU-CEWLAPEOSA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137296 1003497148 /nfs/dbraw/zinc/49/71/48/1003497148.db2.gz APELLRRKFKZSSU-REWPJTCUSA-N 2 0 418.626 3.744 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000500138408 1003498040 /nfs/dbraw/zinc/49/80/40/1003498040.db2.gz LEOIRSLBWXUPGQ-OYRHEFFESA-N 2 0 400.611 3.840 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000509231494 1003641507 /nfs/dbraw/zinc/64/15/07/1003641507.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCOCC1)c1ccccc1 ZINC000500489528 1003744585 /nfs/dbraw/zinc/74/45/85/1003744585.db2.gz LRJGLNOHZKKKNT-OAQYLSRUSA-N 2 0 421.585 3.912 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000511843389 1003821225 /nfs/dbraw/zinc/82/12/25/1003821225.db2.gz NAIBHQCOVDJVSA-VQTJNVASSA-N 2 0 409.496 3.674 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500624486 1003840478 /nfs/dbraw/zinc/84/04/78/1003840478.db2.gz LZEZABBXEWOQLL-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646682 1003860037 /nfs/dbraw/zinc/86/00/37/1003860037.db2.gz QKBPRZATHCQMEH-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509467916 1003884026 /nfs/dbraw/zinc/88/40/26/1003884026.db2.gz GRTSBFFXPGGFSI-QFIPXVFZSA-N 2 0 419.491 3.819 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccn1 ZINC000512009106 1003950869 /nfs/dbraw/zinc/95/08/69/1003950869.db2.gz OWWQQDQPWWLMIP-UHFFFAOYSA-N 2 0 419.451 3.516 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500818921 1003977954 /nfs/dbraw/zinc/97/79/54/1003977954.db2.gz RWUJONLIQHDDQQ-UHFFFAOYSA-N 2 0 423.605 3.981 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512091900 1004016469 /nfs/dbraw/zinc/01/64/69/1004016469.db2.gz VJTDYHOPKZALOV-IRLDBZIGSA-N 2 0 400.611 3.851 20 0 HHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)sc1Br ZINC000512124085 1004040132 /nfs/dbraw/zinc/04/01/32/1004040132.db2.gz QGECAPNKYLAHDX-CQSZACIVSA-N 2 0 409.397 3.817 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000512152322 1004060453 /nfs/dbraw/zinc/06/04/53/1004060453.db2.gz MNORHSSNOBRKPX-CEWHCAETSA-N 2 0 410.650 3.804 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512160584 1004067118 /nfs/dbraw/zinc/06/71/18/1004067118.db2.gz XXWFIBRIVXIFLS-QFIPXVFZSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000509751168 1004071079 /nfs/dbraw/zinc/07/10/79/1004071079.db2.gz MDQWNMBXPCFGAF-UZKOGDIHSA-N 2 0 414.619 3.951 20 0 HHADRP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501033214 1004136901 /nfs/dbraw/zinc/13/69/01/1004136901.db2.gz RPCZZHUKHNOXOQ-GOSISDBHSA-N 2 0 424.372 3.977 20 0 HHADRP CCN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccccc2s1 ZINC000501037981 1004141192 /nfs/dbraw/zinc/14/11/92/1004141192.db2.gz IKLFRJODDYPJFU-UHFFFAOYSA-N 2 0 423.586 3.893 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2sccc2C1 ZINC000512247342 1004150675 /nfs/dbraw/zinc/15/06/75/1004150675.db2.gz XUAYSCCNWGPNOY-XMMPIXPASA-N 2 0 409.599 3.621 20 0 HHADRP CC(C)c1ccc(CCNC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049925 1004151428 /nfs/dbraw/zinc/15/14/28/1004151428.db2.gz VJPLHZBZULCLHJ-UHFFFAOYSA-N 2 0 408.590 3.712 20 0 HHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501086359 1004192219 /nfs/dbraw/zinc/19/22/19/1004192219.db2.gz JQPQUJQINIOIJN-ZWOKBUDYSA-N 2 0 410.965 3.646 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000501089111 1004194416 /nfs/dbraw/zinc/19/44/16/1004194416.db2.gz LMKPOQRIXHUNAH-UHFFFAOYSA-N 2 0 412.391 3.969 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196121 /nfs/dbraw/zinc/19/61/21/1004196121.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 2 0 403.570 3.559 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318212 1004213732 /nfs/dbraw/zinc/21/37/32/1004213732.db2.gz LWGIFKQRFKQVNC-OKZBNKHCSA-N 2 0 403.567 3.664 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000501120340 1004217964 /nfs/dbraw/zinc/21/79/64/1004217964.db2.gz ZNCQKGRZOKMRBP-JOCHJYFZSA-N 2 0 419.013 3.504 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000501149926 1004236856 /nfs/dbraw/zinc/23/68/56/1004236856.db2.gz JBRIMGBVGCCHIM-HSZRJFAPSA-N 2 0 415.626 3.707 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424415 1004290336 /nfs/dbraw/zinc/29/03/36/1004290336.db2.gz QEZCTSWPITYHFM-FGCOXFRFSA-N 2 0 412.622 3.660 20 0 HHADRP Fc1cc(OCCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443334 1004305099 /nfs/dbraw/zinc/30/50/99/1004305099.db2.gz AVAZASRDQYOLOQ-HXUWFJFHSA-N 2 0 417.956 3.750 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Sc4ccccn4)o3)CC2)CC1 ZINC000512468767 1004325973 /nfs/dbraw/zinc/32/59/73/1004325973.db2.gz MGGWZESGSZSLAT-UHFFFAOYSA-N 2 0 400.592 3.675 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501363432 1004368368 /nfs/dbraw/zinc/36/83/68/1004368368.db2.gz OYYQOQXUWOFVGB-HBUYNFGHSA-N 2 0 408.590 3.888 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386035 1004382185 /nfs/dbraw/zinc/38/21/85/1004382185.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 2 0 420.601 3.859 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391654 1004387127 /nfs/dbraw/zinc/38/71/27/1004387127.db2.gz MXORZUICMDFBIS-KWOQKUFVSA-N 2 0 424.589 3.508 20 0 HHADRP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N(Cc2ccccc2)C1 ZINC000512626891 1004439592 /nfs/dbraw/zinc/43/95/92/1004439592.db2.gz XJBSZPFXRJJPGE-RFNQJFSXSA-N 2 0 419.613 3.512 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501475645 1004449362 /nfs/dbraw/zinc/44/93/62/1004449362.db2.gz GLRJZVOLSXEBMQ-MSOLQXFVSA-N 2 0 407.002 3.867 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646884 1004457976 /nfs/dbraw/zinc/45/79/76/1004457976.db2.gz DXVFLLNVKUKELA-ICDZXHCJSA-N 2 0 419.617 3.953 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660857 1004471021 /nfs/dbraw/zinc/47/10/21/1004471021.db2.gz OZZQFECGXHBAKY-YTFSRNRJSA-N 2 0 407.606 3.827 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664571 1004475262 /nfs/dbraw/zinc/47/52/62/1004475262.db2.gz AGGAYOSRUVRURH-NNMXDRDESA-N 2 0 413.512 3.585 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000512839057 1004599589 /nfs/dbraw/zinc/59/95/89/1004599589.db2.gz QSJMWBQRMBBUJR-PMACEKPBSA-N 2 0 424.511 3.550 20 0 HHADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512847110 1004609402 /nfs/dbraw/zinc/60/94/02/1004609402.db2.gz SWCSUPMLXZHRNY-LJQANCHMSA-N 2 0 414.516 3.509 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000501779794 1004719334 /nfs/dbraw/zinc/71/93/34/1004719334.db2.gz KHYFEYRCCBIZES-UHFFFAOYSA-N 2 0 421.585 3.615 20 0 HHADRP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782856 1004724315 /nfs/dbraw/zinc/72/43/15/1004724315.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 2 0 409.578 3.842 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000501786565 1004728920 /nfs/dbraw/zinc/72/89/20/1004728920.db2.gz SGRPOTHIMZHCHL-UHFFFAOYSA-N 2 0 406.958 3.960 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501810955 1004751246 /nfs/dbraw/zinc/75/12/46/1004751246.db2.gz UCBVFNDYXBJEPL-RDPSFJRHSA-N 2 0 406.574 3.570 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501812202 1004751919 /nfs/dbraw/zinc/75/19/19/1004751919.db2.gz DWUMZNSFAFYZCW-HSZRJFAPSA-N 2 0 421.589 3.787 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(Br)cc32)cc1 ZINC000510649898 1004779008 /nfs/dbraw/zinc/77/90/08/1004779008.db2.gz IQMYPGQLDGNNCI-FQEVSTJZSA-N 2 0 416.363 3.518 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000501868342 1004787322 /nfs/dbraw/zinc/78/73/22/1004787322.db2.gz DZMFYQMBFHKKLS-GJPOJAMWSA-N 2 0 400.611 3.938 20 0 HHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510666208 1004788272 /nfs/dbraw/zinc/78/82/72/1004788272.db2.gz DGYPZNCPERXQDD-XLIONFOSSA-N 2 0 415.528 3.773 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216680 1004865617 /nfs/dbraw/zinc/86/56/17/1004865617.db2.gz GRRXCLPAKYCFIJ-VWLOTQADSA-N 2 0 420.601 3.611 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000513326813 1004913640 /nfs/dbraw/zinc/91/36/40/1004913640.db2.gz XHTMEJGLHUXJHV-SQJMNOBHSA-N 2 0 407.602 3.786 20 0 HHADRP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000513380895 1004935500 /nfs/dbraw/zinc/93/55/00/1004935500.db2.gz MWIFTEHBPPEXEU-UHFFFAOYSA-N 2 0 419.997 3.753 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510937658 1004943868 /nfs/dbraw/zinc/94/38/68/1004943868.db2.gz PFBBKXYFSGJOKD-YLJYHZDGSA-N 2 0 422.976 3.742 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000511003559 1004975653 /nfs/dbraw/zinc/97/56/53/1004975653.db2.gz YHAQXVMDLJZFGI-RBUKOAKNSA-N 2 0 422.573 3.994 20 0 HHADRP Cc1c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494274 1004990296 /nfs/dbraw/zinc/99/02/96/1004990296.db2.gz GZYATTMPLJNKEO-OFNKIYASSA-N 2 0 418.585 3.875 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321477 1005010888 /nfs/dbraw/zinc/01/08/88/1005010888.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 2 0 407.606 3.741 20 0 HHADRP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513559748 1005022965 /nfs/dbraw/zinc/02/29/65/1005022965.db2.gz IMNHAVPSTIKJAJ-VWNXMTODSA-N 2 0 409.549 3.819 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000511144311 1005043435 /nfs/dbraw/zinc/04/34/35/1005043435.db2.gz RPMQTHKQGPWDMS-OTPAQWSUSA-N 2 0 421.585 3.577 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000513659791 1005070316 /nfs/dbraw/zinc/07/03/16/1005070316.db2.gz DFIYNZOZFXAOLQ-YQFWSFKMSA-N 2 0 402.892 3.795 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000511243006 1005087688 /nfs/dbraw/zinc/08/76/88/1005087688.db2.gz SVURJSYRFAKOBY-UHFFFAOYSA-N 2 0 415.626 3.804 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713123 1005092641 /nfs/dbraw/zinc/09/26/41/1005092641.db2.gz KSUGCHXFERAQFU-QHAWAJNXSA-N 2 0 406.412 3.876 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264636 1005097389 /nfs/dbraw/zinc/09/73/89/1005097389.db2.gz GNAPRKGDUHLXKV-IFMALSPDSA-N 2 0 404.643 3.937 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000511268634 1005099811 /nfs/dbraw/zinc/09/98/11/1005099811.db2.gz SLSPSQNHZBUSFY-GOSISDBHSA-N 2 0 422.017 3.725 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511292749 1005111301 /nfs/dbraw/zinc/11/13/01/1005111301.db2.gz KBAPVHAQTGJLFJ-MDNUFGMLSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511295577 1005112724 /nfs/dbraw/zinc/11/27/24/1005112724.db2.gz VJVWGCQWQIPVME-RDCABSMISA-N 2 0 412.622 3.849 20 0 HHADRP FC(F)(F)c1cccc(OCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513819463 1005143314 /nfs/dbraw/zinc/14/33/14/1005143314.db2.gz XJERKNVUCDOGLT-UHFFFAOYSA-N 2 0 400.485 3.909 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511439994 1005177307 /nfs/dbraw/zinc/17/73/07/1005177307.db2.gz UKTAAPMOLZIFFO-UYAOXDASSA-N 2 0 418.651 3.912 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2)CC1 ZINC000502786661 1005217111 /nfs/dbraw/zinc/21/71/11/1005217111.db2.gz AZWLARRDQPYDEV-UHFFFAOYSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000502788591 1005217910 /nfs/dbraw/zinc/21/79/10/1005217910.db2.gz HTHCOHVLAQUXHF-UHFFFAOYSA-N 2 0 404.599 3.704 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010173 1005226694 /nfs/dbraw/zinc/22/66/94/1005226694.db2.gz UIPGEXGCRCZARZ-GBXCKJPGSA-N 2 0 406.574 3.917 20 0 HHADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514028055 1005234403 /nfs/dbraw/zinc/23/44/03/1005234403.db2.gz ZFYKISUKHFRMJH-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502834229 1005237906 /nfs/dbraw/zinc/23/79/06/1005237906.db2.gz WGOBGLRDELPMAT-UHFFFAOYSA-N 2 0 422.658 3.562 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846391 1005242248 /nfs/dbraw/zinc/24/22/48/1005242248.db2.gz DLLVJGFCBLTAFY-LPHOPBHVSA-N 2 0 414.516 3.824 20 0 HHADRP CCOc1ccc(CCC2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000511608551 1005242993 /nfs/dbraw/zinc/24/29/93/1005242993.db2.gz DPVUVVTUCQHHHY-UHFFFAOYSA-N 2 0 415.622 3.719 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000502862880 1005248572 /nfs/dbraw/zinc/24/85/72/1005248572.db2.gz OVEHRDHQFUIFKK-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000511632651 1005253077 /nfs/dbraw/zinc/25/30/77/1005253077.db2.gz YBSFZEXSJWUWIG-UHFFFAOYSA-N 2 0 415.622 3.924 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876861 1005254771 /nfs/dbraw/zinc/25/47/71/1005254771.db2.gz OUXAFMGAYVMMRK-NZQKXSOJSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000511644163 1005258476 /nfs/dbraw/zinc/25/84/76/1005258476.db2.gz BZVZUFZJTWJFNJ-UHFFFAOYSA-N 2 0 408.590 3.665 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000502889492 1005261000 /nfs/dbraw/zinc/26/10/00/1005261000.db2.gz XLQGQNXYHWLEGP-NZQKXSOJSA-N 2 0 416.610 3.643 20 0 HHADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000514092019 1005261608 /nfs/dbraw/zinc/26/16/08/1005261608.db2.gz AWZCNEYYMBQCHX-IXDOHACOSA-N 2 0 402.560 3.995 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000511660717 1005265831 /nfs/dbraw/zinc/26/58/31/1005265831.db2.gz KHJYIAKAXLRSGU-UHFFFAOYSA-N 2 0 401.620 3.574 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511716130 1005289695 /nfs/dbraw/zinc/28/96/95/1005289695.db2.gz OSOHPZREVPZDDS-JQVVWYNYSA-N 2 0 401.620 3.713 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000514175783 1005299079 /nfs/dbraw/zinc/29/90/79/1005299079.db2.gz FTPVIYVBSUOWCL-WOJBJXKFSA-N 2 0 400.592 3.796 20 0 HHADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000514180264 1005300771 /nfs/dbraw/zinc/30/07/71/1005300771.db2.gz QMWZQOBXLITUND-HXUWFJFHSA-N 2 0 417.557 3.807 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217836 1005318225 /nfs/dbraw/zinc/31/82/25/1005318225.db2.gz FYLCBCWZHFBBAJ-QDSKXPNFSA-N 2 0 406.574 3.958 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000503049860 1005327579 /nfs/dbraw/zinc/32/75/79/1005327579.db2.gz JSKHJWRSDMXKON-INIZCTEOSA-N 2 0 418.379 3.634 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000514241155 1005328502 /nfs/dbraw/zinc/32/85/02/1005328502.db2.gz FTUYMKXCXNONPV-QHCPKHFHSA-N 2 0 424.976 3.999 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312051 1005335770 /nfs/dbraw/zinc/33/57/70/1005335770.db2.gz VWPQYBZKVQSXOM-LOSJGSFVSA-N 2 0 420.601 3.807 20 0 HHADRP COCc1ccccc1/C=C(\C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000514314491 1005336392 /nfs/dbraw/zinc/33/63/92/1005336392.db2.gz WSHVFWWRHHZASF-DYTRJAOYSA-N 2 0 413.606 3.550 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200426 1005367272 /nfs/dbraw/zinc/36/72/72/1005367272.db2.gz VHHPFCWJYRMNCP-BJKOFHAPSA-N 2 0 414.638 3.607 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[NH+](C)C)cc1 ZINC000503339507 1005393488 /nfs/dbraw/zinc/39/34/88/1005393488.db2.gz FZYRYYPIZFNEMY-FYYLOGMGSA-N 2 0 400.611 3.751 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)CC1 ZINC000503463343 1005428045 /nfs/dbraw/zinc/42/80/45/1005428045.db2.gz CGCHXDBMRXOMJA-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503504851 1005439418 /nfs/dbraw/zinc/43/94/18/1005439418.db2.gz RXSZDTPGWWGBER-DHIUTWEWSA-N 2 0 424.589 3.670 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174513 1005566863 /nfs/dbraw/zinc/56/68/63/1005566863.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 2 0 406.574 3.739 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000504434462 1005627965 /nfs/dbraw/zinc/62/79/65/1005627965.db2.gz MUVYAVKRUMMNBR-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234861 1006237262 /nfs/dbraw/zinc/23/72/62/1006237262.db2.gz HPXMCMLKKRIICK-OXJNMPFZSA-N 2 0 410.965 3.646 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252796 1006261345 /nfs/dbraw/zinc/26/13/45/1006261345.db2.gz WXIITULMASAQNE-WIRSXHRWSA-N 2 0 422.976 3.740 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282702 1006280742 /nfs/dbraw/zinc/28/07/42/1006280742.db2.gz JECGSANNCIMWSW-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000531683489 1006352606 /nfs/dbraw/zinc/35/26/06/1006352606.db2.gz LOPVJYSPPYPDFX-QFIPXVFZSA-N 2 0 422.617 3.745 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccccc1CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000531702942 1006366110 /nfs/dbraw/zinc/36/61/10/1006366110.db2.gz VTPWDIVJHXSBPR-CVDCTZTESA-N 2 0 421.651 3.647 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)C1 ZINC000531714449 1006372801 /nfs/dbraw/zinc/37/28/01/1006372801.db2.gz QARYEOHTAXOFRJ-GGAORHGYSA-N 2 0 409.599 3.504 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000515291110 1006379830 /nfs/dbraw/zinc/37/98/30/1006379830.db2.gz WPONNFLPLAILIC-RPWUZVMVSA-N 2 0 424.589 3.824 20 0 HHADRP Brc1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000531737852 1006389997 /nfs/dbraw/zinc/38/99/97/1006389997.db2.gz NSRZFKIJASPEAH-UHFFFAOYSA-N 2 0 406.412 3.878 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448947 1006430264 /nfs/dbraw/zinc/43/02/64/1006430264.db2.gz YILIMHZIGDSINC-ZEQRLZLVSA-N 2 0 412.622 3.833 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000531863637 1006483698 /nfs/dbraw/zinc/48/36/98/1006483698.db2.gz JUAPVBPYZJBLDW-UHFFFAOYSA-N 2 0 404.558 3.864 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Br)cc3)cn2)CC1 ZINC000531936300 1006531562 /nfs/dbraw/zinc/53/15/62/1006531562.db2.gz JNMSUDZREZDUTI-INIZCTEOSA-N 2 0 403.368 3.837 20 0 HHADRP Cc1c([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965625 1006550656 /nfs/dbraw/zinc/55/06/56/1006550656.db2.gz HUERDSPIWXEZQI-KBMIEXCESA-N 2 0 421.564 3.959 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000538383167 1006653246 /nfs/dbraw/zinc/65/32/46/1006653246.db2.gz JAPJYNNHZXEVKT-LJQANCHMSA-N 2 0 412.500 3.649 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000515801720 1006682014 /nfs/dbraw/zinc/68/20/14/1006682014.db2.gz NZNCSZZXORZVBF-OAQYLSRUSA-N 2 0 407.002 3.850 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)c(Br)c2)cc1 ZINC000538430385 1006695793 /nfs/dbraw/zinc/69/57/93/1006695793.db2.gz ATYSFVPZWOVAAO-UHFFFAOYSA-N 2 0 424.770 3.684 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000532321591 1006793207 /nfs/dbraw/zinc/79/32/07/1006793207.db2.gz BMYLBZNNUYTWSR-FQEVSTJZSA-N 2 0 413.997 3.636 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000532360916 1006818736 /nfs/dbraw/zinc/81/87/36/1006818736.db2.gz CDHCTGNPDDNDJN-NRFANRHFSA-N 2 0 406.618 3.753 20 0 HHADRP CSc1ccccc1CC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538568505 1006834115 /nfs/dbraw/zinc/83/41/15/1006834115.db2.gz LAUAOJJNHUYYGZ-UHFFFAOYSA-N 2 0 403.636 3.606 20 0 HHADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)c3ccc(Br)cc3)CC2)C1 ZINC000532448896 1006891097 /nfs/dbraw/zinc/89/10/97/1006891097.db2.gz XVACYJNZCZOYAG-OXJNMPFZSA-N 2 0 422.411 3.812 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532482619 1006921872 /nfs/dbraw/zinc/92/18/72/1006921872.db2.gz MXNDDAHGKJNGEX-IRXDYDNUSA-N 2 0 410.537 3.874 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000516159436 1006922512 /nfs/dbraw/zinc/92/25/12/1006922512.db2.gz WZAMFSOTDOJMPI-LEWJYISDSA-N 2 0 400.611 3.982 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(CCN3CCC[C@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512102 1006949763 /nfs/dbraw/zinc/94/97/63/1006949763.db2.gz VSCVSEXCYTWUMT-WMPKNSHKSA-N 2 0 418.714 3.874 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941580 1006982277 /nfs/dbraw/zinc/98/22/77/1006982277.db2.gz RNIMVNXRSAWZHZ-BLIXFSHQSA-N 2 0 424.992 3.749 20 0 HHADRP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965521 1007017755 /nfs/dbraw/zinc/01/77/55/1007017755.db2.gz WSTKMHCJGWFMHG-HXUWFJFHSA-N 2 0 420.557 3.711 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534978439 1007037485 /nfs/dbraw/zinc/03/74/85/1007037485.db2.gz AAVKOJXJFSXDLC-AVRDEDQJSA-N 2 0 412.553 3.740 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCCO2 ZINC000532629088 1007051025 /nfs/dbraw/zinc/05/10/25/1007051025.db2.gz MKOOPBMAXMCSKM-FQEVSTJZSA-N 2 0 400.954 3.799 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000538901180 1007180776 /nfs/dbraw/zinc/18/07/76/1007180776.db2.gz CUAAXVSXZCQTOY-UHFFFAOYSA-N 2 0 423.605 3.981 20 0 HHADRP CCC1(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532813861 1007198828 /nfs/dbraw/zinc/19/88/28/1007198828.db2.gz JUYQMOTUHIFZJC-JOCHJYFZSA-N 2 0 400.611 3.662 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC000538944171 1007228465 /nfs/dbraw/zinc/22/84/65/1007228465.db2.gz ORYNHWPCTPRUMI-UHFFFAOYSA-N 2 0 400.954 3.590 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)C2)CC1 ZINC000535183372 1007228985 /nfs/dbraw/zinc/22/89/85/1007228985.db2.gz XVKZIIPWQACDSX-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944850 1007229605 /nfs/dbraw/zinc/22/96/05/1007229605.db2.gz AEIBKPXBPQRBRB-FQEVSTJZSA-N 2 0 424.589 3.848 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945740 1007230199 /nfs/dbraw/zinc/23/01/99/1007230199.db2.gz HCZXZJCIRBCBCK-IBGZPJMESA-N 2 0 410.562 3.506 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1)CC1CC1 ZINC000538951816 1007239327 /nfs/dbraw/zinc/23/93/27/1007239327.db2.gz YOZZRLLQBTUDEA-QGZVFWFLSA-N 2 0 418.557 3.696 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000538981771 1007275125 /nfs/dbraw/zinc/27/51/25/1007275125.db2.gz VQWURVPFVASXGS-JOCHJYFZSA-N 2 0 413.610 3.596 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000532988011 1007359350 /nfs/dbraw/zinc/35/93/50/1007359350.db2.gz ZBLWDXBYNQBFDJ-UHFFFAOYSA-N 2 0 423.454 3.960 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000539160044 1007459799 /nfs/dbraw/zinc/45/97/99/1007459799.db2.gz JFSQSMZKTFPLNM-SFHVURJKSA-N 2 0 415.603 3.949 20 0 HHADRP CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153964 1007492700 /nfs/dbraw/zinc/49/27/00/1007492700.db2.gz QMDRRGRFVIRUPN-RBBKRZOGSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000539218496 1007509395 /nfs/dbraw/zinc/50/93/95/1007509395.db2.gz WBSGAMWPLXDMGM-HNNXBMFYSA-N 2 0 420.001 3.504 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000535508656 1007564540 /nfs/dbraw/zinc/56/45/40/1007564540.db2.gz RRBKQBQDPXOMSR-KBXCAEBGSA-N 2 0 401.776 3.916 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000539294750 1007592421 /nfs/dbraw/zinc/59/24/21/1007592421.db2.gz FRTVAYHMMMQMNG-JOCHJYFZSA-N 2 0 423.601 3.891 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539308411 1007606401 /nfs/dbraw/zinc/60/64/01/1007606401.db2.gz HXGIAJUYSIGSCZ-DHIUTWEWSA-N 2 0 400.588 3.861 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462795 1007686953 /nfs/dbraw/zinc/68/69/53/1007686953.db2.gz RGWYIFWCOJKEGX-LPHOPBHVSA-N 2 0 414.516 3.729 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535684349 1007716004 /nfs/dbraw/zinc/71/60/04/1007716004.db2.gz UVCMNOQSPBAABU-LVCYWYKZSA-N 2 0 422.976 3.742 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000517613011 1007817429 /nfs/dbraw/zinc/81/74/29/1007817429.db2.gz RBUVQXTYDFFTIR-NZQKXSOJSA-N 2 0 401.595 3.847 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000535856676 1007871757 /nfs/dbraw/zinc/87/17/57/1007871757.db2.gz VUBUFMDBTZVLGX-UHFFFAOYSA-N 2 0 402.970 3.748 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576614 1007892396 /nfs/dbraw/zinc/89/23/96/1007892396.db2.gz PLFDCUCPLRVQCQ-VQTJNVASSA-N 2 0 411.512 3.874 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000533600560 1007899335 /nfs/dbraw/zinc/89/93/35/1007899335.db2.gz VQOAEOUGDJZRAA-UHFFFAOYSA-N 2 0 411.615 3.876 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)C2)CC1 ZINC000535935037 1007963626 /nfs/dbraw/zinc/96/36/26/1007963626.db2.gz GPPXWEFGOPPFLW-SFHLNBCPSA-N 2 0 404.624 3.504 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000539687786 1008007655 /nfs/dbraw/zinc/00/76/55/1008007655.db2.gz DRJCRWKHMYOUOY-MRXNPFEDSA-N 2 0 411.550 3.752 20 0 HHADRP O=C(COc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)N1CCCC1 ZINC000539712928 1008029418 /nfs/dbraw/zinc/02/94/18/1008029418.db2.gz TVBPUVIDXKCPIU-UHFFFAOYSA-N 2 0 407.558 3.573 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)C2)CC1 ZINC000533772596 1008098021 /nfs/dbraw/zinc/09/80/21/1008098021.db2.gz UYSMRTMWNDDMCE-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000533785517 1008108579 /nfs/dbraw/zinc/10/85/79/1008108579.db2.gz QVJUJDHYPUZKIF-CQSZACIVSA-N 2 0 401.418 3.507 20 0 HHADRP Brc1ccc(-n2cc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851804 1008140653 /nfs/dbraw/zinc/14/06/53/1008140653.db2.gz DCEIHQPNZRWSOS-KRWDZBQOSA-N 2 0 403.368 3.943 20 0 HHADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000539968520 1008212580 /nfs/dbraw/zinc/21/25/80/1008212580.db2.gz FGNOGPNTEPNYKD-HZPDHXFCSA-N 2 0 420.598 3.943 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000539976613 1008217143 /nfs/dbraw/zinc/21/71/43/1008217143.db2.gz WLDICZUESGVBDU-UHFFFAOYSA-N 2 0 418.916 3.899 20 0 HHADRP CC(C)COC[C@H](O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955346 1008231364 /nfs/dbraw/zinc/23/13/64/1008231364.db2.gz HLZARWPYIQNAGQ-HXUWFJFHSA-N 2 0 402.501 3.635 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540013139 1008236536 /nfs/dbraw/zinc/23/65/36/1008236536.db2.gz FIJAHTMPBWBXMQ-OAQYLSRUSA-N 2 0 415.626 3.984 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1)CC1CC1 ZINC000540016188 1008239325 /nfs/dbraw/zinc/23/93/25/1008239325.db2.gz QEXMLIXLBRLXGI-OAQYLSRUSA-N 2 0 406.640 3.894 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403938 1008291046 /nfs/dbraw/zinc/29/10/46/1008291046.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 2 0 406.574 3.786 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157100 1008314864 /nfs/dbraw/zinc/31/48/64/1008314864.db2.gz VOYZSKVOWOEZMW-YROCYRMSSA-N 2 0 415.965 3.903 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157098 1008315098 /nfs/dbraw/zinc/31/50/98/1008315098.db2.gz VOYZSKVOWOEZMW-JFJYTDJESA-N 2 0 415.965 3.903 20 0 HHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540170705 1008320847 /nfs/dbraw/zinc/32/08/47/1008320847.db2.gz UIEIJBYUASIXES-XMMPIXPASA-N 2 0 407.558 3.688 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301486 1008372580 /nfs/dbraw/zinc/37/25/80/1008372580.db2.gz ZTIGUNRSIQFLEE-UPVQGACJSA-N 2 0 407.558 3.633 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000540321292 1008378882 /nfs/dbraw/zinc/37/88/82/1008378882.db2.gz YQLYSOJFLNNCFT-QGZVFWFLSA-N 2 0 417.500 3.851 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000518718781 1008402599 /nfs/dbraw/zinc/40/25/99/1008402599.db2.gz IBOCWAXANJVHQY-UHFFFAOYSA-N 2 0 422.658 3.562 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000540410314 1008421512 /nfs/dbraw/zinc/42/15/12/1008421512.db2.gz XGVHPXBIWOGBEQ-IRXDYDNUSA-N 2 0 418.582 3.557 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000540410313 1008421552 /nfs/dbraw/zinc/42/15/52/1008421552.db2.gz XGVHPXBIWOGBEQ-IAGOWNOFSA-N 2 0 418.582 3.557 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000518835807 1008439563 /nfs/dbraw/zinc/43/95/63/1008439563.db2.gz NCRBPJNONLGJGW-HBMCJLEFSA-N 2 0 404.986 3.621 20 0 HHADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519077389 1008521267 /nfs/dbraw/zinc/52/12/67/1008521267.db2.gz BXYGQHNDHNJHOH-KRWDZBQOSA-N 2 0 414.516 3.653 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000543020927 1008599205 /nfs/dbraw/zinc/59/92/05/1008599205.db2.gz JXACVNGTPYVCHL-QHCPKHFHSA-N 2 0 400.611 3.654 20 0 HHADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549084122 1008648019 /nfs/dbraw/zinc/64/80/19/1008648019.db2.gz YUKQQVQKGJRHMU-UHFFFAOYSA-N 2 0 420.601 3.615 20 0 HHADRP NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000543139459 1008712471 /nfs/dbraw/zinc/71/24/71/1008712471.db2.gz DTLOAKITUSQTMM-FQEVSTJZSA-N 2 0 411.512 3.690 20 0 HHADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000549202583 1008774550 /nfs/dbraw/zinc/77/45/50/1008774550.db2.gz RZTRFWPVMWINDG-RTWAWAEBSA-N 2 0 423.601 3.840 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)[C@H](C)C1 ZINC000549204274 1008776195 /nfs/dbraw/zinc/77/61/95/1008776195.db2.gz GSJJVAWKWIXWHH-HJNYFJLDSA-N 2 0 400.611 3.659 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519501137 1008872551 /nfs/dbraw/zinc/87/25/51/1008872551.db2.gz LCYAQGBPYVCXQY-QFIPXVFZSA-N 2 0 414.981 3.688 20 0 HHADRP COCCOc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000519706090 1008969584 /nfs/dbraw/zinc/96/95/84/1008969584.db2.gz KXDIQQFHILEBAQ-DEOSSOPVSA-N 2 0 424.585 3.730 20 0 HHADRP COc1cccc(OC)c1OCCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519724003 1008977539 /nfs/dbraw/zinc/97/75/39/1008977539.db2.gz JTCYGAKUZHAHNU-BGYRXZFFSA-N 2 0 420.594 3.684 20 0 HHADRP C[NH+](C)CC1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000519795070 1009013331 /nfs/dbraw/zinc/01/33/31/1009013331.db2.gz XZQIYAOZVBYWAR-UHFFFAOYSA-N 2 0 405.178 3.817 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn(-c4ccccc4C)nn3)CC2)c1 ZINC000519787161 1009006593 /nfs/dbraw/zinc/00/65/93/1009006593.db2.gz PRHQQNZRYADJQI-UHFFFAOYSA-N 2 0 418.589 3.576 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460037 1009044845 /nfs/dbraw/zinc/04/48/45/1009044845.db2.gz GHVSZNLYWPTAIO-MPGHIAIKSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@@H](NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045628 /nfs/dbraw/zinc/04/56/28/1009045628.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 3 0 404.687 3.862 20 0 HHADRP C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461624 1009047627 /nfs/dbraw/zinc/04/76/27/1009047627.db2.gz OKPCECKVSASATC-HZPDHXFCSA-N 2 0 413.635 3.937 20 0 HHADRP C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461625 1009048532 /nfs/dbraw/zinc/04/85/32/1009048532.db2.gz OKPCECKVSASATC-JKSUJKDBSA-N 2 0 413.635 3.937 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000519973608 1009118462 /nfs/dbraw/zinc/11/84/62/1009118462.db2.gz JJTJXNZGWKTPSN-UHFFFAOYSA-N 2 0 423.605 3.600 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000543535973 1009126961 /nfs/dbraw/zinc/12/69/61/1009126961.db2.gz OEMQWMHKLYDKOI-KRWDZBQOSA-N 2 0 422.017 3.676 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000520129799 1009282570 /nfs/dbraw/zinc/28/25/70/1009282570.db2.gz TTYDHAVKXAGYAJ-RTBURBONSA-N 2 0 424.580 3.796 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543683701 1009292446 /nfs/dbraw/zinc/29/24/46/1009292446.db2.gz CEGHVJVUQXVJBP-YWMUFLPLSA-N 2 0 424.992 3.844 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000520149566 1009299990 /nfs/dbraw/zinc/29/99/90/1009299990.db2.gz KZBVKZPCFMXTLB-RUZDIDTESA-N 2 0 418.585 3.822 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000543765820 1009336555 /nfs/dbraw/zinc/33/65/55/1009336555.db2.gz OTKCHXMBQMELGZ-VWLOTQADSA-N 2 0 417.553 3.907 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000520377902 1009514245 /nfs/dbraw/zinc/51/42/45/1009514245.db2.gz VAXDCPJHALNHQD-CWAQXLGLSA-N 2 0 406.574 3.743 20 0 HHADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000544008252 1009609010 /nfs/dbraw/zinc/60/90/10/1009609010.db2.gz ODOHBNSKFYUROJ-KRWDZBQOSA-N 2 0 423.527 3.955 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000544070765 1009674236 /nfs/dbraw/zinc/67/42/36/1009674236.db2.gz GNIXCSZFRBKLFZ-UHFFFAOYSA-N 2 0 406.014 3.977 20 0 HHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000520634373 1009711624 /nfs/dbraw/zinc/71/16/24/1009711624.db2.gz FGURXJOLNXMDDG-DEOSSOPVSA-N 2 0 409.574 3.513 20 0 HHADRP CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000550280388 1009828650 /nfs/dbraw/zinc/82/86/50/1009828650.db2.gz LLBPXIWFMJNNKX-PQNGQFLHSA-N 2 0 415.622 3.635 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000520764672 1009833743 /nfs/dbraw/zinc/83/37/43/1009833743.db2.gz ZJUDDNFNTBCQPJ-LJQANCHMSA-N 2 0 424.564 3.536 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000544349928 1009975129 /nfs/dbraw/zinc/97/51/29/1009975129.db2.gz SIMHFCQQKAHXQT-UHFFFAOYSA-N 2 0 421.520 3.552 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000550507554 1009987135 /nfs/dbraw/zinc/98/71/35/1009987135.db2.gz NVGYMCAWEBILMN-CYXNTTPDSA-N 2 0 417.597 3.907 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2csc(Br)c2)[C@H](c2ccccc2)C1 ZINC000520951084 1010001545 /nfs/dbraw/zinc/00/15/45/1010001545.db2.gz ONVYDJDRMVMEKV-SFHVURJKSA-N 2 0 408.409 3.979 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000521066295 1010084427 /nfs/dbraw/zinc/08/44/27/1010084427.db2.gz YOFQYMGADVLYGJ-QFIPXVFZSA-N 2 0 416.997 3.586 20 0 HHADRP C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521067531 1010085453 /nfs/dbraw/zinc/08/54/53/1010085453.db2.gz XZPJCZGQZXTZOW-KRWDZBQOSA-N 2 0 414.516 3.511 20 0 HHADRP CS(=O)(=O)CC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000551030166 1010326985 /nfs/dbraw/zinc/32/69/85/1010326985.db2.gz ZJZHGMKZRFSQSI-UHFFFAOYSA-N 2 0 413.027 3.745 20 0 HHADRP CC[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000544790908 1010386345 /nfs/dbraw/zinc/38/63/45/1010386345.db2.gz MSNCWQHBQXUXPK-QFIPXVFZSA-N 2 0 410.562 3.755 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551226783 1010449717 /nfs/dbraw/zinc/44/97/17/1010449717.db2.gz CWRVOPFNSCXRIQ-UHFFFAOYSA-N 2 0 405.546 3.647 20 0 HHADRP O=C(C[NH2+][C@@H](CCO)C1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544898830 1010474854 /nfs/dbraw/zinc/47/48/54/1010474854.db2.gz WVTMCRWFXQWFCP-FCHUYYIVSA-N 2 0 422.013 3.514 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000551267114 1010483860 /nfs/dbraw/zinc/48/38/60/1010483860.db2.gz LFHONFHOWSXCCL-XTWGIRIWSA-N 2 0 415.603 3.689 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521688933 1010552326 /nfs/dbraw/zinc/55/23/26/1010552326.db2.gz KQJKOVPAGKRGOK-OAQYLSRUSA-N 2 0 410.553 3.549 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770408 1010605103 /nfs/dbraw/zinc/60/51/03/1010605103.db2.gz CPPASIHKLUSUIY-PKTZIBPZSA-N 2 0 400.611 3.505 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521815146 1010637267 /nfs/dbraw/zinc/63/72/67/1010637267.db2.gz KGTXLYZFSBPLSP-UHFFFAOYSA-N 2 0 407.562 3.558 20 0 HHADRP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000551585225 1010678095 /nfs/dbraw/zinc/67/80/95/1010678095.db2.gz BPXIIDMCDUCTEO-HYBUGGRVSA-N 2 0 423.601 3.727 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048952 1010778391 /nfs/dbraw/zinc/77/83/91/1010778391.db2.gz HSRBPTIWPJAPJF-GGAORHGYSA-N 2 0 414.638 3.751 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000522127125 1010824786 /nfs/dbraw/zinc/82/47/86/1010824786.db2.gz BYBDNEOGAKJYKN-XMMPIXPASA-N 2 0 421.589 3.824 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000522173810 1010846867 /nfs/dbraw/zinc/84/68/67/1010846867.db2.gz DXGWKDQZSUJHCO-QFIPXVFZSA-N 2 0 416.610 3.786 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000522199453 1010862087 /nfs/dbraw/zinc/86/20/87/1010862087.db2.gz SWBGUGADHMZZRJ-QHCPKHFHSA-N 2 0 416.610 3.786 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(Br)cn3)CC2)c1 ZINC000522239483 1010882858 /nfs/dbraw/zinc/88/28/58/1010882858.db2.gz RCPYBHBAPOLYGV-UHFFFAOYSA-N 2 0 417.395 3.845 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000522276246 1010900040 /nfs/dbraw/zinc/90/00/40/1010900040.db2.gz WWJAVQHXIZELPN-RUZDIDTESA-N 2 0 420.601 3.923 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000522287882 1010908243 /nfs/dbraw/zinc/90/82/43/1010908243.db2.gz LGCASIBYTWCTMY-RUZDIDTESA-N 2 0 422.617 3.633 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323797 1010930176 /nfs/dbraw/zinc/93/01/76/1010930176.db2.gz CPQCBBXNEBWNIQ-ZRCGQRJVSA-N 2 0 400.611 3.694 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[NH+](C)C)cc1 ZINC000522408380 1010988715 /nfs/dbraw/zinc/98/87/15/1010988715.db2.gz BXBMFXBNZDTEMR-QFIPXVFZSA-N 2 0 414.619 3.871 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000522823340 1011256840 /nfs/dbraw/zinc/25/68/40/1011256840.db2.gz NYNHWDQLFCZTFP-FQEVSTJZSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)cc1 ZINC000522830472 1011267036 /nfs/dbraw/zinc/26/70/36/1011267036.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 2 0 420.601 3.984 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522869318 1011311521 /nfs/dbraw/zinc/31/15/21/1011311521.db2.gz OOWQKKSSNNDGEZ-VWLOTQADSA-N 2 0 420.601 3.986 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919306 1011587181 /nfs/dbraw/zinc/58/71/81/1011587181.db2.gz VRLHYACCAGWFNP-UIFIKXQLSA-N 2 0 404.986 3.603 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991770 1011624822 /nfs/dbraw/zinc/62/48/22/1011624822.db2.gz KMKKEUCSBJFLKA-GHTZIAJQSA-N 2 0 406.448 3.929 20 0 HHADRP C[C@H](O)C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536413847 1011627372 /nfs/dbraw/zinc/62/73/72/1011627372.db2.gz YEYAQBVRLKTVQI-ICSRJNTNSA-N 2 0 401.982 3.736 20 0 HHADRP CN(C)c1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000536413337 1011627411 /nfs/dbraw/zinc/62/74/11/1011627411.db2.gz SPXDLXPTOGAEFO-UHFFFAOYSA-N 2 0 423.992 3.996 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000523179772 1011664787 /nfs/dbraw/zinc/66/47/87/1011664787.db2.gz JLVDLYPZQJUMHS-IBGZPJMESA-N 2 0 400.592 3.607 20 0 HHADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711494 1011883070 /nfs/dbraw/zinc/88/30/70/1011883070.db2.gz ZYBRHPGWOIGQQC-NZQKXSOJSA-N 2 0 404.618 3.908 20 0 HHADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711496 1011884156 /nfs/dbraw/zinc/88/41/56/1011884156.db2.gz ZYBRHPGWOIGQQC-REWPJTCUSA-N 2 0 404.618 3.908 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000541215349 1011886650 /nfs/dbraw/zinc/88/66/50/1011886650.db2.gz WVQANJYJJVHKQM-KRWDZBQOSA-N 2 0 403.567 3.665 20 0 HHADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724941 1011896712 /nfs/dbraw/zinc/89/67/12/1011896712.db2.gz XIJVAYLLIATETK-XXBNENTESA-N 2 0 422.573 3.648 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000541378975 1012096135 /nfs/dbraw/zinc/09/61/35/1012096135.db2.gz YRJKRWLEFROZLE-NTKDMRAZSA-N 2 0 406.530 3.991 20 0 HHADRP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000536866390 1012102923 /nfs/dbraw/zinc/10/29/23/1012102923.db2.gz ZSRFWWGYJJLWIW-IUKKYPGJSA-N 2 0 415.603 3.501 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000536867109 1012104636 /nfs/dbraw/zinc/10/46/36/1012104636.db2.gz BPSWHGMSGAWXFC-LPHOPBHVSA-N 2 0 406.958 3.659 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000536867111 1012105114 /nfs/dbraw/zinc/10/51/14/1012105114.db2.gz BPSWHGMSGAWXFC-VQIMIIECSA-N 2 0 406.958 3.659 20 0 HHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)c3cccc(Br)c3)CC2)C1 ZINC000536869131 1012108132 /nfs/dbraw/zinc/10/81/32/1012108132.db2.gz IXZNTDGLMHSBMX-JXFKEZNVSA-N 2 0 422.411 3.812 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)nnn1-c1ccccc1 ZINC000536875249 1012117742 /nfs/dbraw/zinc/11/77/42/1012117742.db2.gz GLJWZQXADOFELY-NRFANRHFSA-N 2 0 418.589 3.829 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000552331665 1012339638 /nfs/dbraw/zinc/33/96/38/1012339638.db2.gz HTZMMYYBFXUPNM-FQEVSTJZSA-N 2 0 404.624 3.620 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000552365593 1012375034 /nfs/dbraw/zinc/37/50/34/1012375034.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 2 0 417.544 3.619 20 0 HHADRP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000552434300 1012454354 /nfs/dbraw/zinc/45/43/54/1012454354.db2.gz IOPBZVKEVFELOG-RUZDIDTESA-N 2 0 421.585 3.831 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000552437818 1012457171 /nfs/dbraw/zinc/45/71/71/1012457171.db2.gz WEJOBTDAWSVVEA-NRFANRHFSA-N 2 0 408.546 3.541 20 0 HHADRP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745287 1012603210 /nfs/dbraw/zinc/60/32/10/1012603210.db2.gz YNKREKLRMWCZKL-DHIUTWEWSA-N 2 0 400.588 3.931 20 0 HHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537293387 1012752332 /nfs/dbraw/zinc/75/23/32/1012752332.db2.gz QECHETUXIGUJNH-LJQANCHMSA-N 2 0 400.380 3.903 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000541889036 1012756411 /nfs/dbraw/zinc/75/64/11/1012756411.db2.gz KTHFGKJKZJJUGZ-VNRZQXBUSA-N 2 0 407.602 3.776 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919152 1012779527 /nfs/dbraw/zinc/77/95/27/1012779527.db2.gz UKXIEJQYSJCWLI-KXBFYZLASA-N 2 0 406.473 3.714 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985057 1012860357 /nfs/dbraw/zinc/86/03/57/1012860357.db2.gz VUAXFXAEEMVMCC-HSZRJFAPSA-N 2 0 419.613 3.752 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000537397187 1012880567 /nfs/dbraw/zinc/88/05/67/1012880567.db2.gz RMMJHWSQNKLQDJ-OFVILXPXSA-N 2 0 407.606 3.542 20 0 HHADRP CCCn1c2ccccc2nc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000524114645 1012890749 /nfs/dbraw/zinc/89/07/49/1012890749.db2.gz HUDDVLSIMVZYDV-XMMPIXPASA-N 2 0 405.590 3.915 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000552899818 1012901286 /nfs/dbraw/zinc/90/12/86/1012901286.db2.gz VZFFSEIITQUYJV-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000542053281 1012964155 /nfs/dbraw/zinc/96/41/55/1012964155.db2.gz KWKYHRLDXNXVNY-HJTBJCSRSA-N 2 0 406.617 3.553 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc2F)CC1 ZINC001648988551 1071812798 /nfs/dbraw/zinc/81/27/98/1071812798.db2.gz VKJQINRUMXEBDS-REWPJTCUSA-N 2 0 410.537 3.599 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272056 1072058768 /nfs/dbraw/zinc/05/87/68/1072058768.db2.gz KBHSHFOUPLSSLC-ZEQRLZLVSA-N 2 0 406.570 3.918 20 0 HHADRP C[N@H+](Cc1ccccc1CNC(=S)NCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000760478552 1072386932 /nfs/dbraw/zinc/38/69/32/1072386932.db2.gz MIEPKYPTNJVLBB-UHFFFAOYSA-N 2 0 402.652 3.757 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2c2cccnc2)CC1 ZINC001168303721 1072468599 /nfs/dbraw/zinc/46/85/99/1072468599.db2.gz ANSLHKYSZXAWPS-HAMDTZRPSA-N 2 0 402.583 3.842 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2cc(Br)sc2Br)CC1 ZINC001168303965 1072469245 /nfs/dbraw/zinc/46/92/45/1072469245.db2.gz HQMBLQGZIYPBAG-UHFFFAOYSA-N 2 0 424.202 3.918 20 0 HHADRP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+]C3CCC([NH+](C)C)CC3)ccc12 ZINC001168304789 1072474679 /nfs/dbraw/zinc/47/46/79/1072474679.db2.gz DJNQOUOSVKZQLB-XTXLOEGASA-N 2 0 413.562 3.917 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)C(=O)Nc2cc(Br)ccc23)CC1 ZINC001168315526 1072495347 /nfs/dbraw/zinc/49/53/47/1072495347.db2.gz XWPWXDWOVNNJCT-UHFFFAOYSA-N 2 0 406.368 3.608 20 0 HHADRP CC(C)CCN1[C@]2(CC[N@@H+](C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318896 1072497014 /nfs/dbraw/zinc/49/70/14/1072497014.db2.gz HVSPOIPTKKWUFK-XPJNUEMQSA-N 2 0 419.635 3.511 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)CC1 ZINC001168322180 1072502499 /nfs/dbraw/zinc/50/24/99/1072502499.db2.gz PDDJEQWKMHUCEN-UHFFFAOYSA-N 2 0 407.602 3.912 20 0 HHADRP O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168379067 1072656478 /nfs/dbraw/zinc/65/64/78/1072656478.db2.gz BWFRJGIALZBXEV-XMMPIXPASA-N 2 0 407.602 3.937 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574766 1072661288 /nfs/dbraw/zinc/66/12/88/1072661288.db2.gz CIQJEUIEXKDYKC-OEMFJLHTSA-N 2 0 407.606 3.967 20 0 HHADRP Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379383 1072664504 /nfs/dbraw/zinc/66/45/04/1072664504.db2.gz JGABNASJYUKYCR-XMMPIXPASA-N 2 0 424.633 3.919 20 0 HHADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871899 1072917240 /nfs/dbraw/zinc/91/72/40/1072917240.db2.gz ZWCCQZAJIQJWGD-OHUGHZGNSA-N 2 0 424.585 3.897 20 0 HHADRP CC1CCN(CC[N@@H+]2CCCC3(CCCN(CC[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000554947397 1072979374 /nfs/dbraw/zinc/97/93/74/1072979374.db2.gz ZRJWPOLVELSFOU-UHFFFAOYSA-N 2 0 404.687 3.628 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000588708715 1073154954 /nfs/dbraw/zinc/15/49/54/1073154954.db2.gz CZDIXZCFNFMBOA-CALCHBBNSA-N 2 0 404.580 3.552 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000588709510 1073156055 /nfs/dbraw/zinc/15/60/55/1073156055.db2.gz CBUFWLLZRMZQKJ-PQNGQFLHSA-N 2 0 413.606 3.561 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000588770148 1073220962 /nfs/dbraw/zinc/22/09/62/1073220962.db2.gz NMCLBFCAIWOWTJ-JOCHJYFZSA-N 2 0 410.562 3.972 20 0 HHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000555379793 1073389019 /nfs/dbraw/zinc/38/90/19/1073389019.db2.gz MCGIWJOACKTZFD-UHFFFAOYSA-N 2 0 422.617 3.974 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1)C1CC1 ZINC000591465009 1074310435 /nfs/dbraw/zinc/31/04/35/1074310435.db2.gz HEPADBZETCWLAC-UHFFFAOYSA-N 2 0 421.585 3.558 20 0 HHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000573358739 1074354545 /nfs/dbraw/zinc/35/45/45/1074354545.db2.gz NYRQBQWZIOSPJW-CQSZACIVSA-N 2 0 410.331 3.644 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000591522929 1074363607 /nfs/dbraw/zinc/36/36/07/1074363607.db2.gz YZBRHKGQOQOVOE-LJQANCHMSA-N 2 0 402.583 3.664 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591548554 1074384086 /nfs/dbraw/zinc/38/40/86/1074384086.db2.gz PGXZJSLEURTOEM-OAQYLSRUSA-N 2 0 404.986 3.574 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591558133 1074406311 /nfs/dbraw/zinc/40/63/11/1074406311.db2.gz FCSPTOFWGOBEAF-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000591656077 1074456040 /nfs/dbraw/zinc/45/60/40/1074456040.db2.gz HSQFEEWIFMHETD-XZOQPEGZSA-N 2 0 414.594 3.514 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000591656075 1074456079 /nfs/dbraw/zinc/45/60/79/1074456079.db2.gz HSQFEEWIFMHETD-GOTSBHOMSA-N 2 0 414.594 3.514 20 0 HHADRP C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574096181 1075166606 /nfs/dbraw/zinc/16/66/06/1075166606.db2.gz MTFDLWIHFZTFCW-HYLPIGKTSA-N 2 0 421.585 3.523 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000574101981 1075167345 /nfs/dbraw/zinc/16/73/45/1075167345.db2.gz RWKHMKCEABRFFP-AAVWJAMMSA-N 2 0 408.586 3.942 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000593501342 1075205247 /nfs/dbraw/zinc/20/52/47/1075205247.db2.gz RLMXKZAIQCXGSP-UHFFFAOYSA-N 2 0 410.562 3.803 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000574486380 1075255320 /nfs/dbraw/zinc/25/53/20/1075255320.db2.gz CENVCLIDYYPWND-UHFFFAOYSA-N 2 0 417.601 3.917 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000575031420 1075447174 /nfs/dbraw/zinc/44/71/74/1075447174.db2.gz XOBRETWTROQNFA-OYRHEFFESA-N 2 0 416.610 3.582 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000595637219 1075494895 /nfs/dbraw/zinc/49/48/95/1075494895.db2.gz UPAJVEWQALGEMU-HSZRJFAPSA-N 2 0 400.611 3.647 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510366 /nfs/dbraw/zinc/51/03/66/1075510366.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 2 0 422.658 3.611 20 0 HHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619704 719011805 /nfs/dbraw/zinc/01/18/05/719011805.db2.gz WVAPIRVRPSVBTR-VGSWGCGISA-N 2 0 405.970 3.615 20 0 HHADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OCC3CC[NH2+]CC3)cn2)cc1 ZINC001164621619 719111996 /nfs/dbraw/zinc/11/19/96/719111996.db2.gz AIGUNJJEMLFYBB-UPVQGACJSA-N 2 0 406.574 3.561 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164714243 720123211 /nfs/dbraw/zinc/12/32/11/720123211.db2.gz BCGRFGYLELJLSL-FQEVSTJZSA-N 2 0 405.546 3.774 20 0 HHADRP Cc1cccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164775856 721329834 /nfs/dbraw/zinc/32/98/34/721329834.db2.gz ALEWILHPAZOPBU-BWKNWUBXSA-N 2 0 422.573 3.522 20 0 HHADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164784930 721461518 /nfs/dbraw/zinc/46/15/18/721461518.db2.gz KVBICUUDTRLLMS-NRFANRHFSA-N 2 0 417.594 3.603 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023329 721798041 /nfs/dbraw/zinc/79/80/41/721798041.db2.gz JMVKOGLXRJVCGQ-ILWGZMRPSA-N 2 0 406.578 3.517 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001165027854 721823233 /nfs/dbraw/zinc/82/32/33/721823233.db2.gz UEPFLCHHEOWQHO-QPTUXGOLSA-N 2 0 405.590 3.809 20 0 HHADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]cc21 ZINC001164956134 722021265 /nfs/dbraw/zinc/02/12/65/722021265.db2.gz XBPQFMOUPXXGRF-UHFFFAOYSA-N 2 0 419.529 3.627 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164961934 722051081 /nfs/dbraw/zinc/05/10/81/722051081.db2.gz ZDRHVYSMROUJSD-XAISMOLKSA-N 2 0 421.589 3.929 20 0 HHADRP CC(C)[NH+]1CCC(N(C)c2ncc(Cl)c(N(C)C3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000301688055 971027988 /nfs/dbraw/zinc/02/79/88/971027988.db2.gz IWECSZMCDIVJMQ-UHFFFAOYSA-N 2 0 423.049 3.748 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2cc1OCC ZINC000301824671 971077035 /nfs/dbraw/zinc/07/70/35/971077035.db2.gz IIEALBLXGVDOQD-YOFSQIOKSA-N 2 0 424.589 3.779 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303108493 971508298 /nfs/dbraw/zinc/50/82/98/971508298.db2.gz JUJMRWNNUAXHES-OAQYLSRUSA-N 2 0 411.512 3.820 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@H](c5cc[nH]n5)C4)c3)C2)n[nH]1 ZINC000303219690 971566691 /nfs/dbraw/zinc/56/66/91/971566691.db2.gz RKRSXOUGVWGPHL-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488679 971787266 /nfs/dbraw/zinc/78/72/66/971787266.db2.gz RRYOFSCGLHYOMC-CTNGQTDRSA-N 2 0 414.619 3.780 20 0 HHADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000303488681 971787387 /nfs/dbraw/zinc/78/73/87/971787387.db2.gz RRYOFSCGLHYOMC-PZJWPPBQSA-N 2 0 414.619 3.780 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000303820080 972052418 /nfs/dbraw/zinc/05/24/18/972052418.db2.gz JVZLYCKTTIWNMH-IRXDYDNUSA-N 2 0 418.969 3.754 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000542316720 1013272674 /nfs/dbraw/zinc/27/26/74/1013272674.db2.gz ACOSROQUGPPJCO-KRWDZBQOSA-N 2 0 412.335 3.707 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553406616 1013333104 /nfs/dbraw/zinc/33/31/04/1013333104.db2.gz GXDLYQORXKOZAM-FQEVSTJZSA-N 2 0 419.660 3.700 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000542395943 1013349859 /nfs/dbraw/zinc/34/98/59/1013349859.db2.gz DVQAMAWIIWICHA-XMMPIXPASA-N 2 0 415.622 3.545 20 0 HHADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843676 1013406874 /nfs/dbraw/zinc/40/68/74/1013406874.db2.gz SNSMOTRRWAKRJJ-LJQANCHMSA-N 2 0 412.553 3.506 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000537843390 1013405330 /nfs/dbraw/zinc/40/53/30/1013405330.db2.gz PRJGTRJNMMRSEK-OAQYLSRUSA-N 2 0 403.954 3.713 20 0 HHADRP COc1c(C)cnc(CN2CCC([N@H+](C)C[C@H](O)CCc3ccccc3)CC2)c1C ZINC000542510056 1013453934 /nfs/dbraw/zinc/45/39/34/1013453934.db2.gz IGYCETNERBBKOX-HSZRJFAPSA-N 2 0 411.590 3.597 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000048711072 964034621 /nfs/dbraw/zinc/03/46/21/964034621.db2.gz HCYMAPJCQALSTA-JOCHJYFZSA-N 2 0 404.002 3.504 20 0 HHADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537940986 1013524498 /nfs/dbraw/zinc/52/44/98/1013524498.db2.gz DLTNTOSQZLUWGM-QRWLVFNGSA-N 2 0 407.352 3.774 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)s1 ZINC000537969476 1013546526 /nfs/dbraw/zinc/54/65/26/1013546526.db2.gz BPIKRUKQLOYDDA-CYBMUJFWSA-N 2 0 410.381 3.653 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975618 1013552037 /nfs/dbraw/zinc/55/20/37/1013552037.db2.gz WMWYMRQZYBDNMC-FUHWJXTLSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989278 1013563494 /nfs/dbraw/zinc/56/34/94/1013563494.db2.gz ALZXJSBTDDDEFU-BWKNWUBXSA-N 2 0 401.554 3.897 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718935 965621492 /nfs/dbraw/zinc/62/14/92/965621492.db2.gz UIPGEXGCRCZARZ-YKSBVNFPSA-N 2 0 406.574 3.917 20 0 HHADRP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513382 965713123 /nfs/dbraw/zinc/71/31/23/965713123.db2.gz NRQSARWMHFEDNP-OAQYLSRUSA-N 2 0 422.617 3.792 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000553778001 1013607411 /nfs/dbraw/zinc/60/74/11/1013607411.db2.gz CRXIRUNDYRTKPD-UHFFFAOYSA-N 2 0 412.578 3.716 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000553796189 1013621137 /nfs/dbraw/zinc/62/11/37/1013621137.db2.gz MYDHTLNPMQQYRF-CMTIAEDTSA-N 2 0 417.597 3.765 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000542712717 1013625378 /nfs/dbraw/zinc/62/53/78/1013625378.db2.gz MITNESBXMNLKML-OFNKIYASSA-N 2 0 400.611 3.831 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000060523923 966190413 /nfs/dbraw/zinc/19/04/13/966190413.db2.gz ZBUUPLIVUQCNQJ-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000060524211 966190532 /nfs/dbraw/zinc/19/05/32/966190532.db2.gz KVTOMKNSIVLLCK-QFIPXVFZSA-N 2 0 417.601 3.963 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000060549694 966200841 /nfs/dbraw/zinc/20/08/41/966200841.db2.gz XHDPAWJWYBKQRN-OAQYLSRUSA-N 2 0 416.610 3.738 20 0 HHADRP Cc1cc(Cl)c(C)c(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1Cl ZINC000060561927 966206309 /nfs/dbraw/zinc/20/63/09/966206309.db2.gz ZDUIRKYNHTYIKT-UHFFFAOYSA-N 2 0 424.438 3.504 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000060798169 966293163 /nfs/dbraw/zinc/29/31/63/966293163.db2.gz GULFHPVHGXJAQX-VXKWHMMOSA-N 2 0 410.562 3.861 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[NH+]2CCCCC2)cc1 ZINC000060954848 966335316 /nfs/dbraw/zinc/33/53/16/966335316.db2.gz XOFRUTYPFFRENO-JOCHJYFZSA-N 2 0 404.599 3.640 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000061231003 966404311 /nfs/dbraw/zinc/40/43/11/966404311.db2.gz XAMPZCRIJSMZHD-OAQYLSRUSA-N 2 0 412.603 3.980 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)o1 ZINC000056813631 966477180 /nfs/dbraw/zinc/47/71/80/966477180.db2.gz LVWFLGDZWUIDOU-UHFFFAOYSA-N 2 0 412.578 3.847 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061902166 966578410 /nfs/dbraw/zinc/57/84/10/966578410.db2.gz XAKNWLGXXLQMIV-DEOSSOPVSA-N 2 0 406.574 3.746 20 0 HHADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000538098068 1013667745 /nfs/dbraw/zinc/66/77/45/1013667745.db2.gz AZQLEBNZNXAOHP-QHCPKHFHSA-N 2 0 409.530 3.977 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528348 966698645 /nfs/dbraw/zinc/69/86/45/966698645.db2.gz PYSSANVPLQHGPA-UHFFFAOYSA-N 2 0 418.601 3.944 20 0 HHADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000553883004 1013675493 /nfs/dbraw/zinc/67/54/93/1013675493.db2.gz ZWBCFLBOIBZZPR-RXVVDRJESA-N 2 0 419.013 3.820 20 0 HHADRP CCc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441353 966858538 /nfs/dbraw/zinc/85/85/38/966858538.db2.gz NMPLHHWHRHLQPE-UHFFFAOYSA-O 2 0 410.607 3.776 20 0 HHADRP CC(C)Cc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1 ZINC000063441768 966858772 /nfs/dbraw/zinc/85/87/72/966858772.db2.gz TUVIVOKVWBTTQL-UHFFFAOYSA-O 2 0 410.607 3.795 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000043167253 966922832 /nfs/dbraw/zinc/92/28/32/966922832.db2.gz BTXSKWZMOMJTSW-NRFANRHFSA-N 2 0 402.583 3.714 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)CC(C)C ZINC000043490523 966983431 /nfs/dbraw/zinc/98/34/31/966983431.db2.gz NEYSYCUGKWJPNB-NRFANRHFSA-N 2 0 403.615 3.625 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000064237163 967100768 /nfs/dbraw/zinc/10/07/68/967100768.db2.gz QKKUAKFCLVLGLA-QHCPKHFHSA-N 2 0 400.611 3.943 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1F ZINC000538141023 1013702265 /nfs/dbraw/zinc/70/22/65/1013702265.db2.gz HFCXIZVCUBBZIU-LJQANCHMSA-N 2 0 413.537 3.528 20 0 HHADRP O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000542841608 1013702712 /nfs/dbraw/zinc/70/27/12/1013702712.db2.gz YZMLRUOVZVQGBC-UHFFFAOYSA-N 2 0 408.384 3.566 20 0 HHADRP CC[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141423 1013702718 /nfs/dbraw/zinc/70/27/18/1013702718.db2.gz MITCBTRRNSJXOT-NTKDMRAZSA-N 2 0 409.574 3.905 20 0 HHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000542844928 1013704028 /nfs/dbraw/zinc/70/40/28/1013704028.db2.gz ZUYCUZQZYGDWIZ-OAQYLSRUSA-N 2 0 408.590 3.894 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848723 1013707533 /nfs/dbraw/zinc/70/75/33/1013707533.db2.gz AYGYBKIWHFLYSD-YADARESESA-N 2 0 407.558 3.621 20 0 HHADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045192104 967376692 /nfs/dbraw/zinc/37/66/92/967376692.db2.gz ZXBYIJBQDDEVPN-UHFFFAOYSA-N 2 0 408.590 3.598 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000065438546 967466183 /nfs/dbraw/zinc/46/61/83/967466183.db2.gz ZCQPNYXVNJPULG-UNMCSNQZSA-N 2 0 421.589 3.704 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000065518337 967503695 /nfs/dbraw/zinc/50/36/95/967503695.db2.gz IFLSSCHODIRPIR-GMAHTHKFSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000065522900 967506704 /nfs/dbraw/zinc/50/67/04/967506704.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 2 0 406.574 3.786 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000045757754 967548394 /nfs/dbraw/zinc/54/83/94/967548394.db2.gz QVVSUMNUKAEMLP-NRFANRHFSA-N 2 0 400.611 3.913 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccn1C ZINC000538205711 1013759780 /nfs/dbraw/zinc/75/97/80/1013759780.db2.gz ZSPYRYOTVRYYDR-KRWDZBQOSA-N 2 0 409.500 3.692 20 0 HHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000538278387 1013817169 /nfs/dbraw/zinc/81/71/69/1013817169.db2.gz VXOLWIZIVVEACS-NRFANRHFSA-N 2 0 420.601 3.850 20 0 HHADRP COC(=O)c1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000538307603 1013839598 /nfs/dbraw/zinc/83/95/98/1013839598.db2.gz CRZCKDWFILMPAO-FQEVSTJZSA-N 2 0 410.514 3.560 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000110434855 969667349 /nfs/dbraw/zinc/66/73/49/969667349.db2.gz HLHJILOOAZETOR-IRXDYDNUSA-N 2 0 411.384 3.649 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000110434852 969667440 /nfs/dbraw/zinc/66/74/40/969667440.db2.gz HLHJILOOAZETOR-CALCHBBNSA-N 2 0 411.384 3.649 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110990676 969755568 /nfs/dbraw/zinc/75/55/68/969755568.db2.gz ZCVSGCSRUJZSLD-HDICACEKSA-N 2 0 405.608 3.558 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)CC2)cc1 ZINC000554352350 1013918877 /nfs/dbraw/zinc/91/88/77/1013918877.db2.gz KZUQNJYRHMJYSP-IBGZPJMESA-N 2 0 405.546 3.839 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000195668041 969943840 /nfs/dbraw/zinc/94/38/40/969943840.db2.gz VKGIONKEOPYGRZ-SANMLTNESA-N 2 0 421.585 3.779 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702058 969967816 /nfs/dbraw/zinc/96/78/16/969967816.db2.gz HKTFANUMOZTRRK-PKTZIBPZSA-N 2 0 419.569 3.755 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000142217137 970145851 /nfs/dbraw/zinc/14/58/51/970145851.db2.gz MLAKBYSLBWDOPM-NRFANRHFSA-N 2 0 418.582 3.701 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000236632936 970149847 /nfs/dbraw/zinc/14/98/47/970149847.db2.gz LWMUAXNVGVNHCE-GOSISDBHSA-N 2 0 404.002 3.622 20 0 HHADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236698068 970157489 /nfs/dbraw/zinc/15/74/89/970157489.db2.gz UVYWNBGXQUDYLA-UHFFFAOYSA-N 2 0 403.574 3.764 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236848696 970179384 /nfs/dbraw/zinc/17/93/84/970179384.db2.gz HRQOZLQWYSYMLN-QFIPXVFZSA-N 2 0 417.601 3.714 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236840662 970179642 /nfs/dbraw/zinc/17/96/42/970179642.db2.gz HEOQUZRHDDBKEV-JOCHJYFZSA-N 2 0 417.601 3.903 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236874296 970183192 /nfs/dbraw/zinc/18/31/92/970183192.db2.gz JZAXAVXMERYUDN-HSZRJFAPSA-N 2 0 409.574 3.516 20 0 HHADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)c1 ZINC000236978922 970198770 /nfs/dbraw/zinc/19/87/70/970198770.db2.gz YBDVQUOQOPCKMT-UHFFFAOYSA-N 2 0 417.347 3.955 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237164159 970233372 /nfs/dbraw/zinc/23/33/72/970233372.db2.gz ZSGQBUWEGHQSTN-UHFFFAOYSA-N 2 0 424.420 3.851 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237166687 970234190 /nfs/dbraw/zinc/23/41/90/970234190.db2.gz JKPYIGPVRIKGGU-UHFFFAOYSA-N 2 0 404.002 3.567 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237173501 970236103 /nfs/dbraw/zinc/23/61/03/970236103.db2.gz HBOMBCGNMXTEDC-UHFFFAOYSA-N 2 0 423.424 3.690 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000237208414 970242134 /nfs/dbraw/zinc/24/21/34/970242134.db2.gz XLFNESQOSOZCJH-UHFFFAOYSA-N 2 0 408.409 3.905 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145498265 970263151 /nfs/dbraw/zinc/26/31/51/970263151.db2.gz QYLLYZWWGNLCSV-UHFFFAOYSA-N 2 0 410.631 3.589 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000237421592 970282571 /nfs/dbraw/zinc/28/25/71/970282571.db2.gz IKVWHNFDCGNVLS-NRFANRHFSA-N 2 0 403.574 3.512 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237502968 970303038 /nfs/dbraw/zinc/30/30/38/970303038.db2.gz PPDJFJNAXMHSHE-IBGZPJMESA-N 2 0 423.992 3.918 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000237570049 970315075 /nfs/dbraw/zinc/31/50/75/970315075.db2.gz UYKPDEUHBHULIR-MRXNPFEDSA-N 2 0 424.420 3.520 20 0 HHADRP C[C@H](C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)CN1CC[NH+](C)CC1 ZINC000237600721 970320253 /nfs/dbraw/zinc/32/02/53/970320253.db2.gz AQWBSDZZERRQHT-OAHLLOKOSA-N 2 0 411.040 3.921 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575220 1013980922 /nfs/dbraw/zinc/98/09/22/1013980922.db2.gz BKPOTXYVJTWGTB-NZQKXSOJSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000237876509 970386683 /nfs/dbraw/zinc/38/66/83/970386683.db2.gz MSXHZUDVYFJNGB-UHFFFAOYSA-N 2 0 417.557 3.501 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237880223 970387726 /nfs/dbraw/zinc/38/77/26/970387726.db2.gz RYCMWQUGCVETKR-NRFANRHFSA-N 2 0 404.986 3.528 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000195547993 970505463 /nfs/dbraw/zinc/50/54/63/970505463.db2.gz UUVXLHHNFWSVEM-FQEVSTJZSA-N 2 0 404.624 3.695 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000410304719 973843221 /nfs/dbraw/zinc/84/32/21/973843221.db2.gz DQLMPTUBUNTTRC-XMMPIXPASA-N 2 0 414.638 3.893 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312419 973855687 /nfs/dbraw/zinc/85/56/87/973855687.db2.gz RISSVRDVWZFSPW-RUZDIDTESA-N 2 0 420.601 3.830 20 0 HHADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)CCC(F)(F)F ZINC000425977047 974085922 /nfs/dbraw/zinc/08/59/22/974085922.db2.gz JBPAXGJYWPKHMD-IEBWSBKVSA-N 2 0 414.516 3.613 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995998 974109766 /nfs/dbraw/zinc/10/97/66/974109766.db2.gz NXSIUMKCLISUEY-RDJZCZTQSA-N 2 0 420.545 3.705 20 0 HHADRP C[NH+](C)CCN(C(=O)Nc1ccc(Br)cc1Cl)C1CC[NH+](C)CC1 ZINC000426661574 974588840 /nfs/dbraw/zinc/58/88/40/974588840.db2.gz DMFTUYOWHGTASI-UHFFFAOYSA-N 2 0 417.779 3.592 20 0 HHADRP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426766161 974643274 /nfs/dbraw/zinc/64/32/74/974643274.db2.gz XJMKITFZRNUYOC-HBMCJLEFSA-N 2 0 413.606 3.566 20 0 HHADRP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426814231 974679829 /nfs/dbraw/zinc/67/98/29/974679829.db2.gz DKEBYYZXAQBHCH-QHAWAJNXSA-N 2 0 405.627 3.593 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000426814345 974680069 /nfs/dbraw/zinc/68/00/69/974680069.db2.gz FKQCHYMVNPCEJH-QZTJIDSGSA-N 2 0 407.986 3.880 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830482 974694941 /nfs/dbraw/zinc/69/49/41/974694941.db2.gz YMBRBDHFIOOISK-BHIFYINESA-N 2 0 415.622 3.553 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884843 974730982 /nfs/dbraw/zinc/73/09/82/974730982.db2.gz WIWDXIKTPYSSPV-AHRSYUTCSA-N 2 0 409.496 3.831 20 0 HHADRP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427674022 975233845 /nfs/dbraw/zinc/23/38/45/975233845.db2.gz YRNVGJIQGBTYQN-MQSCRBSSSA-N 2 0 418.622 3.761 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846672 975318859 /nfs/dbraw/zinc/31/88/59/975318859.db2.gz ANKNMWLWKUMMON-QUCCMNQESA-N 2 0 405.464 3.834 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000428204068 975529158 /nfs/dbraw/zinc/52/91/58/975529158.db2.gz HWMXJODTTPMZFC-VABKMULXSA-N 2 0 407.606 3.827 20 0 HHADRP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243756 975559580 /nfs/dbraw/zinc/55/95/80/975559580.db2.gz UPEIXSMZLXRGCV-BPJRBCGYSA-N 2 0 407.606 3.669 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000428719982 976008135 /nfs/dbraw/zinc/00/81/35/976008135.db2.gz QKDVGCMEHNUDRS-JTHBVZDNSA-N 2 0 415.622 3.542 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428918181 976218913 /nfs/dbraw/zinc/21/89/13/976218913.db2.gz AVYMYZDDJBTQJC-WMZHIEFXSA-N 2 0 412.553 3.610 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)C[NH+](C)C ZINC000428963659 976252881 /nfs/dbraw/zinc/25/28/81/976252881.db2.gz FNGMHFNARZPDRI-QGZVFWFLSA-N 2 0 409.018 3.828 20 0 HHADRP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429018255 976299583 /nfs/dbraw/zinc/29/95/83/976299583.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 2 0 408.384 3.812 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000429074169 976358933 /nfs/dbraw/zinc/35/89/33/976358933.db2.gz FVBIUCNXQJAKQO-SOAGJPPSSA-N 2 0 406.640 3.941 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608384 /nfs/dbraw/zinc/60/83/84/976608384.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 2 0 423.601 3.939 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Br)c1 ZINC000429435326 976714351 /nfs/dbraw/zinc/71/43/51/976714351.db2.gz UCWQTZQAALOFLD-SFHVURJKSA-N 2 0 409.412 3.987 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430219266 977398741 /nfs/dbraw/zinc/39/87/41/977398741.db2.gz OJIHQQXUYNUELC-VWLOTQADSA-N 2 0 424.589 3.940 20 0 HHADRP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136353 978041636 /nfs/dbraw/zinc/04/16/36/978041636.db2.gz IXJRGBNMRRIYDZ-HXUWFJFHSA-N 2 0 424.593 3.587 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C(F)(F)F)C1 ZINC000431254956 978140495 /nfs/dbraw/zinc/14/04/95/978140495.db2.gz JSTDIJBFLHKIPV-RTBURBONSA-N 2 0 411.512 3.676 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000431285378 978171706 /nfs/dbraw/zinc/17/17/06/978171706.db2.gz YVPRJPKAVUDZDI-QHCPKHFHSA-N 2 0 412.622 3.662 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431922375 978603054 /nfs/dbraw/zinc/60/30/54/978603054.db2.gz JHSMFHBXUKQSQM-RUZDIDTESA-N 2 0 422.617 3.706 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805679 /nfs/dbraw/zinc/80/56/79/978805679.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 2 0 411.512 3.847 20 0 HHADRP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000432770911 978969119 /nfs/dbraw/zinc/96/91/19/978969119.db2.gz YJAVSROXDNWEFJ-IBGZPJMESA-N 2 0 416.635 3.616 20 0 HHADRP COc1cc(C[NH+]2CCOCC3(CCC3)C2)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000432838547 978988482 /nfs/dbraw/zinc/98/84/82/978988482.db2.gz FPHIZXGTHLFZBO-UHFFFAOYSA-N 2 0 414.590 3.700 20 0 HHADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc2c(c1)OCO2 ZINC000433124900 979085690 /nfs/dbraw/zinc/08/56/90/979085690.db2.gz GTAZVWSUXYHGDG-UHFFFAOYSA-N 2 0 421.541 3.732 20 0 HHADRP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126784 979087471 /nfs/dbraw/zinc/08/74/71/979087471.db2.gz PRUDEJPOPQUNFI-DEOSSOPVSA-N 2 0 403.570 3.994 20 0 HHADRP O=c1[nH]c(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc21 ZINC000433172803 979117564 /nfs/dbraw/zinc/11/75/64/979117564.db2.gz IJYFYFDEPBETOQ-UHFFFAOYSA-N 2 0 402.542 3.866 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433181804 979124444 /nfs/dbraw/zinc/12/44/44/979124444.db2.gz YUUXOILLXOJFKK-FQEVSTJZSA-N 2 0 409.549 3.819 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000433239692 979170792 /nfs/dbraw/zinc/17/07/92/979170792.db2.gz IHAIAAAADDDVPO-UYTYNIKBSA-N 2 0 403.533 3.759 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433366007 979257787 /nfs/dbraw/zinc/25/77/87/979257787.db2.gz NJVJQSNAULLCAQ-IERDGZPVSA-N 2 0 403.929 3.964 20 0 HHADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000433959014 979716405 /nfs/dbraw/zinc/71/64/05/979716405.db2.gz RQLCQPKPVMVVDW-OAQYLSRUSA-N 2 0 404.986 3.621 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000435525107 980919790 /nfs/dbraw/zinc/91/97/90/980919790.db2.gz HWVMTDVBQRFHFG-FGZHOGPDSA-N 2 0 424.593 3.587 20 0 HHADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000436289428 981284876 /nfs/dbraw/zinc/28/48/76/981284876.db2.gz MXICZKRKAYSMEY-JOCHJYFZSA-N 2 0 419.635 3.535 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000436369012 981330425 /nfs/dbraw/zinc/33/04/25/981330425.db2.gz ULUHRMYWILSOSV-CEXWTWQISA-N 2 0 400.567 3.701 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000436379745 981337383 /nfs/dbraw/zinc/33/73/83/981337383.db2.gz RVHDHONZNIQELI-QFIPXVFZSA-N 2 0 422.573 3.519 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448210410 981624055 /nfs/dbraw/zinc/62/40/55/981624055.db2.gz ZYRWRMMFADRMTC-ZXMXYHOLSA-N 2 0 410.606 3.555 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000448211651 981625540 /nfs/dbraw/zinc/62/55/40/981625540.db2.gz HTNARSARNMKQHO-UXHICEINSA-N 2 0 406.640 3.627 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448213680 981627857 /nfs/dbraw/zinc/62/78/57/981627857.db2.gz NGRWJUMYLRBBQX-VWNXMTODSA-N 2 0 410.606 3.831 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000448258932 981659518 /nfs/dbraw/zinc/65/95/18/981659518.db2.gz ZQWFAPQCWZSRTH-HJNYFJLDSA-N 2 0 400.611 3.801 20 0 HHADRP Cc1nn(C)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1Br ZINC000448342659 981710568 /nfs/dbraw/zinc/71/05/68/981710568.db2.gz GVGXOYVMZHZBSR-UHFFFAOYSA-N 2 0 417.395 3.979 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC000448461687 981795674 /nfs/dbraw/zinc/79/56/74/981795674.db2.gz NGBYUQGICAQBLX-UTKZUKDTSA-N 2 0 407.002 3.676 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466115 981800979 /nfs/dbraw/zinc/80/09/79/981800979.db2.gz MIGILULBEDXFGB-YZGWKJHDSA-N 2 0 402.608 3.543 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469708 981809187 /nfs/dbraw/zinc/80/91/87/981809187.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000448472320 981813298 /nfs/dbraw/zinc/81/32/98/981813298.db2.gz HPDJXXLUOZVRRP-DEOSSOPVSA-N 2 0 414.638 3.908 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819355 /nfs/dbraw/zinc/81/93/55/981819355.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448519930 981848877 /nfs/dbraw/zinc/84/88/77/981848877.db2.gz GRHRPPPGXFAHBV-VCPJMCHLSA-N 2 0 424.633 3.801 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854426 /nfs/dbraw/zinc/85/44/26/981854426.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 2 0 414.638 3.831 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000460143493 981915382 /nfs/dbraw/zinc/91/53/82/981915382.db2.gz OUFAOHZLEGOQGG-YTFSRNRJSA-N 2 0 424.589 3.826 20 0 HHADRP C[NH+](C)CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)(C)C ZINC000460339345 982111335 /nfs/dbraw/zinc/11/13/35/982111335.db2.gz CFXNUNXEOUXDBC-VSKRKVRLSA-N 2 0 400.611 3.516 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729014 982322115 /nfs/dbraw/zinc/32/21/15/982322115.db2.gz GAPIBSAZHGOMHV-VQTJNVASSA-N 2 0 402.583 3.745 20 0 HHADRP CCSc1ccc(Cl)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000438074868 982572813 /nfs/dbraw/zinc/57/28/13/982572813.db2.gz PTFWQPQITVRSNS-UHFFFAOYSA-N 2 0 418.994 3.789 20 0 HHADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327498 982725434 /nfs/dbraw/zinc/72/54/34/982725434.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 2 0 413.610 3.513 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438482358 982829167 /nfs/dbraw/zinc/82/91/67/982829167.db2.gz YBCVXSSISGOXMZ-RLWLMLJZSA-N 2 0 405.586 3.819 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000438542820 982881286 /nfs/dbraw/zinc/88/12/86/982881286.db2.gz VYLIOLGGDKAJDZ-KRWDZBQOSA-N 2 0 400.489 3.894 20 0 HHADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443381 983107783 /nfs/dbraw/zinc/10/77/83/983107783.db2.gz ARPUYQCAOHWZDA-TWJOJJKGSA-N 2 0 417.597 3.879 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842788 983110640 /nfs/dbraw/zinc/11/06/40/983110640.db2.gz SVJDIPHVPHNQKO-HYBUGGRVSA-N 2 0 421.589 3.571 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861617 983127153 /nfs/dbraw/zinc/12/71/53/983127153.db2.gz JGIOWGYDCUYPCV-CVDCTZTESA-N 2 0 409.578 3.518 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438864273 983129679 /nfs/dbraw/zinc/12/96/79/983129679.db2.gz JOCLGXNKGOIQAE-UGKGYDQZSA-N 2 0 401.599 3.561 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439132641 983266113 /nfs/dbraw/zinc/26/61/13/983266113.db2.gz HOQGLOLEKHFJIF-GOSISDBHSA-N 2 0 400.430 3.969 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000439194328 983303157 /nfs/dbraw/zinc/30/31/57/983303157.db2.gz VCIMWKGCZNRIFN-NRFANRHFSA-N 2 0 400.592 3.658 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197786 983305825 /nfs/dbraw/zinc/30/58/25/983305825.db2.gz JCHPQPOQWPGDHR-YKSBVNFPSA-N 2 0 421.589 3.743 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000439204556 983309776 /nfs/dbraw/zinc/30/97/76/983309776.db2.gz YOADILMAOSIROY-KQVJYAISSA-N 2 0 413.610 3.513 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756937 983526639 /nfs/dbraw/zinc/52/66/39/983526639.db2.gz MHWIRZRWXYTKCW-UGKGYDQZSA-N 2 0 424.564 3.775 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000440184281 983673981 /nfs/dbraw/zinc/67/39/81/983673981.db2.gz HBDIIISMKFLCMC-HXUWFJFHSA-N 2 0 415.626 3.761 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185195 983674454 /nfs/dbraw/zinc/67/44/54/983674454.db2.gz JLOVRXCEPLEBFF-RDPSFJRHSA-N 2 0 421.589 3.523 20 0 HHADRP c1nc(-c2ccncc2)sc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000440336607 983727397 /nfs/dbraw/zinc/72/73/97/983727397.db2.gz GMVCJJNBAZVVTL-UHFFFAOYSA-N 2 0 407.587 3.897 20 0 HHADRP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441181130 984104417 /nfs/dbraw/zinc/10/44/17/984104417.db2.gz RZVQGLDMDKMLOD-FQEVSTJZSA-N 2 0 407.505 3.591 20 0 HHADRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1OCc1ccc(F)cc1 ZINC000441354792 984203463 /nfs/dbraw/zinc/20/34/63/984203463.db2.gz IROBNSXJDZDKTM-UHFFFAOYSA-N 2 0 415.553 3.529 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000441519734 984299892 /nfs/dbraw/zinc/29/98/92/984299892.db2.gz BCCVQMOPMSMUTO-WDTLCOQZSA-N 2 0 412.622 3.803 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441528797 984305464 /nfs/dbraw/zinc/30/54/64/984305464.db2.gz ZFKMEIIOZRDNCW-OOMBGRCJSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461879631 984904279 /nfs/dbraw/zinc/90/42/79/984904279.db2.gz CIQRQMKOPHIHTL-UHFFFAOYSA-N 2 0 401.545 3.736 20 0 HHADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)c1 ZINC000461998634 984979563 /nfs/dbraw/zinc/97/95/63/984979563.db2.gz ZYSINJIKAGYYMY-JOCHJYFZSA-N 2 0 422.617 3.753 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000462126105 985096144 /nfs/dbraw/zinc/09/61/44/985096144.db2.gz MTTIHNXRYHMDSI-CTNGQTDRSA-N 2 0 400.592 3.692 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520334 985470233 /nfs/dbraw/zinc/47/02/33/985470233.db2.gz HDTDJCAZWWLAFN-CYFREDJKSA-N 2 0 424.564 3.610 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c2ccccc2)CC1 ZINC000467973337 985616327 /nfs/dbraw/zinc/61/63/27/985616327.db2.gz MKJJPNLRCQLTEO-HSZRJFAPSA-N 2 0 413.606 3.611 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(OCC(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000462680075 985618925 /nfs/dbraw/zinc/61/89/25/985618925.db2.gz TUYFFCFECSUIOE-JOCHJYFZSA-N 2 0 403.517 3.799 20 0 HHADRP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714186 985660898 /nfs/dbraw/zinc/66/08/98/985660898.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 2 0 420.601 3.717 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750040 985691239 /nfs/dbraw/zinc/69/12/39/985691239.db2.gz LQQHJSJVTZDQQI-ZEQRLZLVSA-N 2 0 412.622 3.662 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462750711 985692445 /nfs/dbraw/zinc/69/24/45/985692445.db2.gz QEJUMRHJLSDWBK-QHCPKHFHSA-N 2 0 400.611 3.806 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462750710 985692763 /nfs/dbraw/zinc/69/27/63/985692763.db2.gz QEJUMRHJLSDWBK-HSZRJFAPSA-N 2 0 400.611 3.806 20 0 HHADRP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000462798831 985730714 /nfs/dbraw/zinc/73/07/14/985730714.db2.gz UAYYMERDLNMCOY-UHFFFAOYSA-N 2 0 410.558 3.888 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2ccc(F)cc2)CC1 ZINC000462806497 985738901 /nfs/dbraw/zinc/73/89/01/985738901.db2.gz QGMKGRKQNHWSOT-YADHBBJMSA-N 2 0 410.599 3.936 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824453 985748343 /nfs/dbraw/zinc/74/83/43/985748343.db2.gz YPXCXCLKIDAFAK-KNQAVFIVSA-N 2 0 410.599 3.793 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443604083 985781045 /nfs/dbraw/zinc/78/10/45/985781045.db2.gz SBYCKFCZGFSXPI-GOSISDBHSA-N 2 0 400.567 3.560 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000443636949 985821067 /nfs/dbraw/zinc/82/10/67/985821067.db2.gz HFQDYIPDCXTMNB-VLVHOKLOSA-N 2 0 400.611 3.646 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443846773 986050223 /nfs/dbraw/zinc/05/02/23/986050223.db2.gz WPZQPFZVVABCNR-AUSIDOKSSA-N 2 0 424.589 3.583 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)C1 ZINC000468377806 986077160 /nfs/dbraw/zinc/07/71/60/986077160.db2.gz REGLJMGWHIBMDJ-OAQYLSRUSA-N 2 0 420.601 3.918 20 0 HHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000468377796 986077528 /nfs/dbraw/zinc/07/75/28/986077528.db2.gz RBFPWZVVRCDTSK-FNEOHHHZSA-N 2 0 408.590 3.899 20 0 HHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000463128640 986093526 /nfs/dbraw/zinc/09/35/26/986093526.db2.gz FUADUADLTSSBPH-UHFFFAOYSA-N 2 0 411.638 3.865 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000468412036 986110106 /nfs/dbraw/zinc/11/01/06/986110106.db2.gz LMEHDSXJCSMDMV-UHFFFAOYSA-N 2 0 405.549 3.771 20 0 HHADRP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000468509824 986211182 /nfs/dbraw/zinc/21/11/82/986211182.db2.gz IIVXHBQNCGPFQK-IFMALSPDSA-N 2 0 407.606 3.935 20 0 HHADRP F[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(Cc2cccs2)C1 ZINC000463282526 986249792 /nfs/dbraw/zinc/24/97/92/986249792.db2.gz NHVJVUZQNDEXAY-UNMCSNQZSA-N 2 0 401.595 3.957 20 0 HHADRP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000463447630 986427596 /nfs/dbraw/zinc/42/75/96/986427596.db2.gz ZQVGRUYCIZJGGB-PMACEKPBSA-N 2 0 411.384 3.671 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000444558660 986751345 /nfs/dbraw/zinc/75/13/45/986751345.db2.gz VVMVJEATVFGNGU-UHFFFAOYSA-N 2 0 421.585 3.742 20 0 HHADRP CCCOc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c(OCCC)c1 ZINC000469110545 986827448 /nfs/dbraw/zinc/82/74/48/986827448.db2.gz YNTGBVDBCADPIQ-UHFFFAOYSA-N 2 0 417.594 3.553 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000444725866 986901393 /nfs/dbraw/zinc/90/13/93/986901393.db2.gz BUSWASHRUIFHDY-LJQANCHMSA-N 2 0 407.558 3.659 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)s1 ZINC000444760008 986921266 /nfs/dbraw/zinc/92/12/66/986921266.db2.gz IKBPQYSWKVRGSR-DZGCQCFKSA-N 2 0 410.381 3.580 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000444886123 987037301 /nfs/dbraw/zinc/03/73/01/987037301.db2.gz DAOFRAFIKZPKEN-NRFANRHFSA-N 2 0 407.002 3.897 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)[C@H](C)C1 ZINC000469761588 987415101 /nfs/dbraw/zinc/41/51/01/987415101.db2.gz AOJCYXCFGXFKNA-CRAIPNDOSA-N 2 0 416.347 3.518 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000469794157 987437666 /nfs/dbraw/zinc/43/76/66/987437666.db2.gz NDMDLQMSRCPPOT-DPLHUUCSSA-N 2 0 423.601 3.882 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000469869180 987507104 /nfs/dbraw/zinc/50/71/04/987507104.db2.gz COOOHTNZUWGDLF-GOSISDBHSA-N 2 0 407.986 3.564 20 0 HHADRP C[C@H]1C[N@H+](CCCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CCCO1 ZINC000470103211 988004912 /nfs/dbraw/zinc/00/49/12/988004912.db2.gz FHJBNGFZVWONSO-NRFANRHFSA-N 2 0 409.574 3.549 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463956400 988068396 /nfs/dbraw/zinc/06/83/96/988068396.db2.gz ZFRQRPIDJPEZKP-RBBKRZOGSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000470165388 988078910 /nfs/dbraw/zinc/07/89/10/988078910.db2.gz JNYYMUGEPVUAKO-YOEHRIQHSA-N 2 0 402.505 3.584 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288077 988245946 /nfs/dbraw/zinc/24/59/46/988245946.db2.gz RSUOWORFSLYXLP-DHIUTWEWSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000464326974 988461662 /nfs/dbraw/zinc/46/16/62/988461662.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 2 0 423.523 3.822 20 0 HHADRP CCC1(CC)C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580136 988758374 /nfs/dbraw/zinc/75/83/74/988758374.db2.gz FUKISDMJUMMCHA-IBGZPJMESA-N 2 0 403.636 3.763 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1Cl ZINC000470737692 988773920 /nfs/dbraw/zinc/77/39/20/988773920.db2.gz QUEGCJXCKZRALR-WIYYLYMNSA-N 2 0 407.002 3.850 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470738670 988775820 /nfs/dbraw/zinc/77/58/20/988775820.db2.gz XACRDVLMOBIEOE-RBBKRZOGSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470744483 988783583 /nfs/dbraw/zinc/78/35/83/988783583.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748428 988789595 /nfs/dbraw/zinc/78/95/95/988789595.db2.gz WNNWFYUNFHKNQT-ZFGGDYGUSA-N 2 0 412.622 3.792 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755985 988797267 /nfs/dbraw/zinc/79/72/67/988797267.db2.gz NPLDVYFCJCDDQO-PMACEKPBSA-N 2 0 404.624 3.648 20 0 HHADRP C[C@H](OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998559 989064250 /nfs/dbraw/zinc/06/42/50/989064250.db2.gz YWPLWUGBPQKUQQ-IVDSKFSHSA-N 2 0 414.977 3.842 20 0 HHADRP C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845009 989094494 /nfs/dbraw/zinc/09/44/94/989094494.db2.gz CYGBOULSMOBEQE-FPOVZHCZSA-N 2 0 422.491 3.899 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953961 989250157 /nfs/dbraw/zinc/25/01/57/989250157.db2.gz QMILYXIWNXVWBC-NZQKXSOJSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000465185715 989521223 /nfs/dbraw/zinc/52/12/23/989521223.db2.gz NSAYDFPNBHAEFD-IBGZPJMESA-N 2 0 411.546 3.600 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465419394 989764661 /nfs/dbraw/zinc/76/46/61/989764661.db2.gz AXCMTPOHJMDEAW-CVDCTZTESA-N 2 0 412.553 3.734 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465419395 989765168 /nfs/dbraw/zinc/76/51/68/989765168.db2.gz AXCMTPOHJMDEAW-WMZHIEFXSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000471580258 989783431 /nfs/dbraw/zinc/78/34/31/989783431.db2.gz HFUFAYNAUTXKIK-ACJLOTCBSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000471610057 989814376 /nfs/dbraw/zinc/81/43/76/989814376.db2.gz DUVCNMSBHQYDKH-FZKQIMNGSA-N 2 0 400.792 3.705 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477588 989825105 /nfs/dbraw/zinc/82/51/05/989825105.db2.gz PAZHEDOUHRYCDA-LEWJYISDSA-N 2 0 407.002 3.849 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)Cc1ccccc1 ZINC000465518753 989871826 /nfs/dbraw/zinc/87/18/26/989871826.db2.gz DWRCMVFTDALZIF-XPWALMASSA-N 2 0 400.611 3.596 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000465535366 989897869 /nfs/dbraw/zinc/89/78/69/989897869.db2.gz BCTGEQDNZZAAKC-MQSCRBSSSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465536990 989900928 /nfs/dbraw/zinc/90/09/28/989900928.db2.gz FXQBONJHFUPACK-SRYPRDQNSA-N 2 0 400.611 3.789 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713553 989912250 /nfs/dbraw/zinc/91/22/50/989912250.db2.gz FYPCQZDZMFGVRQ-WVLNKYAVSA-N 2 0 418.548 3.601 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557311 989921222 /nfs/dbraw/zinc/92/12/22/989921222.db2.gz GAMJRHFIXIVUHP-APWZRJJASA-N 2 0 414.516 3.824 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000465558321 989922992 /nfs/dbraw/zinc/92/29/92/989922992.db2.gz OPQYAIVNLCCZQU-RTWAWAEBSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611561 989996982 /nfs/dbraw/zinc/99/69/82/989996982.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 2 0 400.611 3.947 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC000465646866 990033005 /nfs/dbraw/zinc/03/30/05/990033005.db2.gz SYJKNWIURDUAGE-NRFANRHFSA-N 2 0 416.610 3.566 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000465650845 990037146 /nfs/dbraw/zinc/03/71/46/990037146.db2.gz DATHXGFQGIJJML-RBUKOAKNSA-N 2 0 400.567 3.860 20 0 HHADRP C[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691075 990076766 /nfs/dbraw/zinc/07/67/66/990076766.db2.gz JBYIQDSEVOCEAQ-FGZHOGPDSA-N 2 0 420.601 3.739 20 0 HHADRP C[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000465691077 990077283 /nfs/dbraw/zinc/07/72/83/990077283.db2.gz JBYIQDSEVOCEAQ-VXKWHMMOSA-N 2 0 420.601 3.739 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695385 990081625 /nfs/dbraw/zinc/08/16/25/990081625.db2.gz SCDACMSVAAFIER-RBBKRZOGSA-N 2 0 416.610 3.596 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)([NH+](C)C)C1 ZINC000465704315 990090964 /nfs/dbraw/zinc/09/09/64/990090964.db2.gz GZZPFHUWBNERPK-VFSLUADLSA-N 2 0 406.640 3.941 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000465720269 990105797 /nfs/dbraw/zinc/10/57/97/990105797.db2.gz OECVPQHJARCGGS-GGAORHGYSA-N 2 0 400.611 3.833 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465724701 990110418 /nfs/dbraw/zinc/11/04/18/990110418.db2.gz NQINVCPYROKMRF-ONTIZHBOSA-N 2 0 414.619 3.603 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472056897 990221557 /nfs/dbraw/zinc/22/15/57/990221557.db2.gz AQAAFJQQMGFUIS-GHTZIAJQSA-N 2 0 424.992 3.989 20 0 HHADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000465870846 990984279 /nfs/dbraw/zinc/98/42/79/990984279.db2.gz MYHLCLLWSPBDNX-DEOSSOPVSA-N 2 0 414.638 3.847 20 0 HHADRP C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872578 990986181 /nfs/dbraw/zinc/98/61/81/990986181.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 2 0 408.590 3.670 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000465888365 991012439 /nfs/dbraw/zinc/01/24/39/991012439.db2.gz CXBPDLFRDUZDJR-YADHBBJMSA-N 2 0 404.574 3.724 20 0 HHADRP CCSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000465890208 991014806 /nfs/dbraw/zinc/01/48/06/991014806.db2.gz NERAMWYMTCSGDH-UYAOXDASSA-N 2 0 406.640 3.917 20 0 HHADRP CCSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000465890205 991014816 /nfs/dbraw/zinc/01/48/16/991014816.db2.gz NERAMWYMTCSGDH-AZUAARDMSA-N 2 0 406.640 3.917 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011096 991176406 /nfs/dbraw/zinc/17/64/06/991176406.db2.gz BTXCFJPPGUAPFH-FCHUYYIVSA-N 2 0 402.627 3.906 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073883 991246863 /nfs/dbraw/zinc/24/68/63/991246863.db2.gz FLFWDCXWNFMOCO-ICSRJNTNSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000466084604 991263375 /nfs/dbraw/zinc/26/33/75/991263375.db2.gz YNBSWHBLWPYFKI-SVFBPWRDSA-N 2 0 404.624 3.791 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466085939 991264673 /nfs/dbraw/zinc/26/46/73/991264673.db2.gz STOXPIUMCZQJLD-RBBKRZOGSA-N 2 0 414.619 3.904 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000466097554 991276085 /nfs/dbraw/zinc/27/60/85/991276085.db2.gz HKDAGUGSKXQCMS-LAUBAEHRSA-N 2 0 416.591 3.893 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466101829 991280867 /nfs/dbraw/zinc/28/08/67/991280867.db2.gz QKOQKGNCIMHUIM-REWPJTCUSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000466240530 991470512 /nfs/dbraw/zinc/47/05/12/991470512.db2.gz DGTZXARQZJGGTI-UHFFFAOYSA-N 2 0 422.573 3.736 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000466290301 991539746 /nfs/dbraw/zinc/53/97/46/991539746.db2.gz XLMRODFYRRWIMY-XMMPIXPASA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466512283 991798124 /nfs/dbraw/zinc/79/81/24/991798124.db2.gz DRKKXQOVZGGNLB-TZIWHRDSSA-N 2 0 410.562 3.548 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466532433 991832608 /nfs/dbraw/zinc/83/26/08/991832608.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 2 0 420.601 3.813 20 0 HHADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000466925622 992238237 /nfs/dbraw/zinc/23/82/37/992238237.db2.gz OVFQSSWUMQPZEV-OFNKIYASSA-N 2 0 401.595 3.609 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467086519 992391578 /nfs/dbraw/zinc/39/15/78/992391578.db2.gz UVAUSKFLYBGBSB-SQJMNOBHSA-N 2 0 422.617 3.985 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)CC2)CC1 ZINC000467096935 992402720 /nfs/dbraw/zinc/40/27/20/992402720.db2.gz UYMWRCXIHHNCJG-UHFFFAOYSA-N 2 0 400.611 3.633 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000467203670 992528592 /nfs/dbraw/zinc/52/85/92/992528592.db2.gz WXTJKIIHUUJYTL-NHCUHLMSSA-N 2 0 423.601 3.982 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000467776143 993015874 /nfs/dbraw/zinc/01/58/74/993015874.db2.gz KHIHTRMWQHKJGK-RUZDIDTESA-N 2 0 420.601 3.957 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1c1ccccc1 ZINC000472116373 993167842 /nfs/dbraw/zinc/16/78/42/993167842.db2.gz XIJMQZFUDGIYMM-GHBBCFCZSA-N 2 0 424.511 3.536 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000472136656 993190621 /nfs/dbraw/zinc/19/06/21/993190621.db2.gz OJTMOULHMIVWGT-MRXNPFEDSA-N 2 0 406.368 3.825 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472290760 993306709 /nfs/dbraw/zinc/30/67/09/993306709.db2.gz IKIYRZDGDLFSKQ-MRXNPFEDSA-N 2 0 402.366 3.755 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472297207 993310744 /nfs/dbraw/zinc/31/07/44/993310744.db2.gz KKZRMPCQHJPAPS-QHCPKHFHSA-N 2 0 408.590 3.718 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306123 993318445 /nfs/dbraw/zinc/31/84/45/993318445.db2.gz PJDRTUGOZDQTCH-GOTSBHOMSA-N 2 0 424.614 3.845 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000472384082 993379023 /nfs/dbraw/zinc/37/90/23/993379023.db2.gz GQGKBNWFIRTFTN-DEOSSOPVSA-N 2 0 412.622 3.806 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(OC)c(NC(C)=O)c3)cc2)CC1 ZINC000480722371 993590599 /nfs/dbraw/zinc/59/05/99/993590599.db2.gz PKDDLLNAUOYVKQ-IBGZPJMESA-N 2 0 424.589 3.642 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000480727623 993595164 /nfs/dbraw/zinc/59/51/64/993595164.db2.gz DCGQPPUEJSTNEU-INIZCTEOSA-N 2 0 408.575 3.511 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728549 993595949 /nfs/dbraw/zinc/59/59/49/993595949.db2.gz QHMHQCHGUOLFBD-VAMGGRTRSA-N 2 0 404.562 3.991 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728548 993596226 /nfs/dbraw/zinc/59/62/26/993596226.db2.gz QHMHQCHGUOLFBD-HSALFYBXSA-N 2 0 404.562 3.991 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000480735535 993601542 /nfs/dbraw/zinc/60/15/42/993601542.db2.gz KUHJJOJNJJYOAQ-DEOSSOPVSA-N 2 0 409.574 3.836 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1NC(C)=O ZINC000480779471 993645974 /nfs/dbraw/zinc/64/59/74/993645974.db2.gz LDOXMKHIEXZRKA-YADARESESA-N 2 0 424.589 3.683 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000480782683 993649302 /nfs/dbraw/zinc/64/93/02/993649302.db2.gz WRPHASUAEUOFLX-HXUWFJFHSA-N 2 0 424.589 3.512 20 0 HHADRP COc1cc(F)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000480797801 993666945 /nfs/dbraw/zinc/66/69/45/993666945.db2.gz RNHOMIFEZLSWMK-PGRDOPGGSA-N 2 0 415.553 3.872 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906480 993763038 /nfs/dbraw/zinc/76/30/38/993763038.db2.gz BMDVODFWANFAOQ-HRNNMHKYSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000480914406 993769653 /nfs/dbraw/zinc/76/96/53/993769653.db2.gz QDLQLRDUZDUXHP-OAQYLSRUSA-N 2 0 403.574 3.530 20 0 HHADRP Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000481054851 993896896 /nfs/dbraw/zinc/89/68/96/993896896.db2.gz HVLPUSRVTBWNHV-UHFFFAOYSA-N 2 0 404.603 3.624 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(-c4c(OC)ccc5ccccc54)no3)C2)CC1 ZINC000481122048 993957389 /nfs/dbraw/zinc/95/73/89/993957389.db2.gz VJMFBRMFHTUZPH-HXUWFJFHSA-N 2 0 420.557 3.715 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000481192322 994025663 /nfs/dbraw/zinc/02/56/63/994025663.db2.gz SLUAEQSUSPAEEL-NQSCKRDGSA-N 2 0 422.491 3.945 20 0 HHADRP COc1cccc(C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000481256203 994079003 /nfs/dbraw/zinc/07/90/03/994079003.db2.gz VRRSLXOSFPRHGO-VWLOTQADSA-N 2 0 416.569 3.916 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000481262403 994082892 /nfs/dbraw/zinc/08/28/92/994082892.db2.gz QNIZFHSFUAXENI-IBGZPJMESA-N 2 0 419.342 3.512 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000481638959 994504433 /nfs/dbraw/zinc/50/44/33/994504433.db2.gz HGZTZAPXFFDFBM-INIZCTEOSA-N 2 0 413.528 3.853 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000481729905 994587894 /nfs/dbraw/zinc/58/78/94/994587894.db2.gz YOJRWBDNZRHCBC-XDBZFTIUSA-N 2 0 400.588 3.995 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000481729903 994588260 /nfs/dbraw/zinc/58/82/60/994588260.db2.gz YOJRWBDNZRHCBC-KWMCUTETSA-N 2 0 400.588 3.995 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000481734836 994592117 /nfs/dbraw/zinc/59/21/17/994592117.db2.gz XHOYUNBNHOXZJO-KRWDZBQOSA-N 2 0 421.632 3.561 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473746594 994651040 /nfs/dbraw/zinc/65/10/40/994651040.db2.gz HECISPNXNWHFNW-QNWVGRARSA-N 2 0 400.611 3.831 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000473822476 994750920 /nfs/dbraw/zinc/75/09/20/994750920.db2.gz OMASPYKQKZKJSF-MRXNPFEDSA-N 2 0 400.489 3.894 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c2)CC1 ZINC000473825539 994754414 /nfs/dbraw/zinc/75/44/14/994754414.db2.gz WYPMKEYBJBOIOV-QHCPKHFHSA-N 2 0 409.578 3.561 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835364 994768479 /nfs/dbraw/zinc/76/84/79/994768479.db2.gz KMBZMZXDVNAMKI-REWPJTCUSA-N 2 0 421.589 3.786 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c2)CC1 ZINC000473839421 994774435 /nfs/dbraw/zinc/77/44/35/994774435.db2.gz IPARYJZNVWXBOZ-HXUWFJFHSA-N 2 0 401.599 3.605 20 0 HHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915212 994786766 /nfs/dbraw/zinc/78/67/66/994786766.db2.gz LMQSJINTAFCPMI-VQIMIIECSA-N 2 0 416.031 3.801 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962913 994943750 /nfs/dbraw/zinc/94/37/50/994943750.db2.gz HDCVTAPICLNPAA-FUDKSRODSA-N 2 0 400.611 3.974 20 0 HHADRP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474027647 995019210 /nfs/dbraw/zinc/01/92/10/995019210.db2.gz JJKCZYMYLVLEJM-NFBKMPQASA-N 2 0 400.611 3.975 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000482116682 995063502 /nfs/dbraw/zinc/06/35/02/995063502.db2.gz XBIJCKAFRODNFP-LJQANCHMSA-N 2 0 422.552 3.578 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000482124330 995072624 /nfs/dbraw/zinc/07/26/24/995072624.db2.gz JCJAYWQKVNGXPC-KRWDZBQOSA-N 2 0 408.468 3.843 20 0 HHADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125403 995073754 /nfs/dbraw/zinc/07/37/54/995073754.db2.gz VAPNQTVSAONKKN-GBXCKJPGSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000482234588 995217575 /nfs/dbraw/zinc/21/75/75/995217575.db2.gz NIUCXQKDRZMNFM-LJQANCHMSA-N 2 0 402.542 3.891 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482284521 995263512 /nfs/dbraw/zinc/26/35/12/995263512.db2.gz BQFLEQLVEUOPGZ-UPVQGACJSA-N 2 0 410.606 3.557 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474331755 995313532 /nfs/dbraw/zinc/31/35/32/995313532.db2.gz REIHRDRIJQAPGK-DEOSSOPVSA-N 2 0 406.574 3.567 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000482353964 995334389 /nfs/dbraw/zinc/33/43/89/995334389.db2.gz QYPITLLVRJQTIF-SFHVURJKSA-N 2 0 400.636 3.967 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474361423 995341636 /nfs/dbraw/zinc/34/16/36/995341636.db2.gz CNTNHKWFZRAJRN-XPPIMPSXSA-N 2 0 412.622 3.776 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000474377577 995355262 /nfs/dbraw/zinc/35/52/62/995355262.db2.gz YIDLZEPZTVZYBN-UHFFFAOYSA-N 2 0 410.587 3.732 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000482388516 995373253 /nfs/dbraw/zinc/37/32/53/995373253.db2.gz PSMGAHBJEHBGSW-UHFFFAOYSA-N 2 0 409.574 3.549 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482415425 995403444 /nfs/dbraw/zinc/40/34/44/995403444.db2.gz ZWLPPTWGEGVPMP-UHFFFAOYSA-N 2 0 409.574 3.549 20 0 HHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000474465936 995428318 /nfs/dbraw/zinc/42/83/18/995428318.db2.gz BAKSSMOTSMQNNH-PMACEKPBSA-N 2 0 411.590 3.733 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436145 995428679 /nfs/dbraw/zinc/42/86/79/995428679.db2.gz IPKNQDIDROLMGE-CTNGQTDRSA-N 2 0 415.603 3.663 20 0 HHADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1OC ZINC000482439569 995434027 /nfs/dbraw/zinc/43/40/27/995434027.db2.gz OSKIDMYDEZGBOV-HXUWFJFHSA-N 2 0 417.985 3.782 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000474475533 995435015 /nfs/dbraw/zinc/43/50/15/995435015.db2.gz MTILAXIZHHKOSY-MOPGFXCFSA-N 2 0 412.574 3.942 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(-c2ccncc2)c1 ZINC000482441980 995437358 /nfs/dbraw/zinc/43/73/58/995437358.db2.gz WPIPNZPBBUKCPE-OAQYLSRUSA-N 2 0 416.573 3.792 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2ccccc2)o1 ZINC000482444685 995441317 /nfs/dbraw/zinc/44/13/17/995441317.db2.gz ILCQUQOFPVJZNC-HXUWFJFHSA-N 2 0 405.546 3.990 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000474511576 995472714 /nfs/dbraw/zinc/47/27/14/995472714.db2.gz CMSHFKMEOHXLNF-RMNGQBEXSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000474516421 995480140 /nfs/dbraw/zinc/48/01/40/995480140.db2.gz JRKBTFBYPWCQGM-SKWRMQMOSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482506150 995516092 /nfs/dbraw/zinc/51/60/92/995516092.db2.gz PHRADKYWYQBORB-CJFMBICVSA-N 2 0 413.581 3.981 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532944 995541995 /nfs/dbraw/zinc/54/19/95/995541995.db2.gz LCVIACODOUUOII-WMZOPIPTSA-N 2 0 416.566 3.504 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000482550664 995558063 /nfs/dbraw/zinc/55/80/63/995558063.db2.gz GEXSUGOWUWELIU-ROUUACIJSA-N 2 0 408.525 3.570 20 0 HHADRP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634334 995580361 /nfs/dbraw/zinc/58/03/61/995580361.db2.gz OWKSKIVAPHGNIW-NRFANRHFSA-N 2 0 410.562 3.674 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000482610933 995608467 /nfs/dbraw/zinc/60/84/67/995608467.db2.gz ZEDCPGBTOYVYQF-KRWDZBQOSA-N 2 0 404.002 3.549 20 0 HHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643710 995638599 /nfs/dbraw/zinc/63/85/99/995638599.db2.gz QGWQQJPTZHOXKV-WSCWJOSJSA-N 2 0 409.549 3.936 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647417 995641946 /nfs/dbraw/zinc/64/19/46/995641946.db2.gz AYUHKLAAYFGZAI-OXQOHEQNSA-N 2 0 417.500 3.836 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653341 995646878 /nfs/dbraw/zinc/64/68/78/995646878.db2.gz WZTUWKKUECYLQR-QFBILLFUSA-N 2 0 417.500 3.836 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000474731719 995665800 /nfs/dbraw/zinc/66/58/00/995665800.db2.gz SEMOWBDFGSDJSP-OYMFQORVSA-N 2 0 405.558 3.740 20 0 HHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000474802492 995715789 /nfs/dbraw/zinc/71/57/89/995715789.db2.gz XJTIIBFLEFVZJF-RBUKOAKNSA-N 2 0 412.574 3.942 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815306 995768496 /nfs/dbraw/zinc/76/84/96/995768496.db2.gz NDFIUNBJVZVHMZ-OXJNMPFZSA-N 2 0 417.500 3.836 20 0 HHADRP Cc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816978 995769063 /nfs/dbraw/zinc/76/90/63/995769063.db2.gz CTBBJDUDUHKNNC-RPBOFIJWSA-N 2 0 405.586 3.803 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878565 995811826 /nfs/dbraw/zinc/81/18/26/995811826.db2.gz UZQAYKPECRAALW-HBFSDRIKSA-N 2 0 424.427 3.754 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000474947637 995818723 /nfs/dbraw/zinc/81/87/23/995818723.db2.gz YWJZJISTFBZJJM-PWHSHALESA-N 2 0 412.574 3.942 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475105706 995925000 /nfs/dbraw/zinc/92/50/00/995925000.db2.gz DYTNOSOJVKLMKL-RUZDIDTESA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000475147959 995954212 /nfs/dbraw/zinc/95/42/12/995954212.db2.gz ARXKLWHASCXYSK-BEFAXECRSA-N 2 0 409.452 3.655 20 0 HHADRP CCN(C(=O)NCc1cccc(C[NH+](C)CC)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475156960 995958948 /nfs/dbraw/zinc/95/89/48/995958948.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182374 995978541 /nfs/dbraw/zinc/97/85/41/995978541.db2.gz KDIDBLBZUJRSJU-QHCPKHFHSA-N 2 0 400.611 3.949 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000475297068 996052885 /nfs/dbraw/zinc/05/28/85/996052885.db2.gz KNSOFWCRNWBWEQ-RUZDIDTESA-N 2 0 420.601 3.564 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483523476 996231869 /nfs/dbraw/zinc/23/18/69/996231869.db2.gz KMOPITFYFSLYCQ-SFHVURJKSA-N 2 0 406.546 3.637 20 0 HHADRP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727016 996327006 /nfs/dbraw/zinc/32/70/06/996327006.db2.gz BRIGFQAPHRIBGC-UKILVPOCSA-N 2 0 412.549 3.691 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000483736243 996357580 /nfs/dbraw/zinc/35/75/80/996357580.db2.gz XWUFURULOHRTGX-NZQKXSOJSA-N 2 0 400.611 3.933 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000483744165 996361664 /nfs/dbraw/zinc/36/16/64/996361664.db2.gz HWUVSWMNXQHQRP-UHFFFAOYSA-N 2 0 410.672 3.549 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483843400 996421977 /nfs/dbraw/zinc/42/19/77/996421977.db2.gz VLHVSILWTBLAJW-UHFFFAOYSA-N 2 0 402.583 3.936 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@@H+]2C2CC2)c1 ZINC000483972873 996499576 /nfs/dbraw/zinc/49/95/76/996499576.db2.gz IWEVXTSBBZESON-LEWJYISDSA-N 2 0 414.594 3.581 20 0 HHADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979279 996503125 /nfs/dbraw/zinc/50/31/25/996503125.db2.gz PNLFWGVALONTNU-ZFGGDYGUSA-N 2 0 420.601 3.643 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484001199 996514843 /nfs/dbraw/zinc/51/48/43/996514843.db2.gz KDOGMCOQKRSOSM-UHFFFAOYSA-N 2 0 400.611 3.947 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041664 996561149 /nfs/dbraw/zinc/56/11/49/996561149.db2.gz HYKMDXRGTRRNEX-NOZRDPDXSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000484293339 996683962 /nfs/dbraw/zinc/68/39/62/996683962.db2.gz KQFXHAOVJITYBN-IBGZPJMESA-N 2 0 407.624 3.635 20 0 HHADRP COc1ccc(C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccc(OC)cc2)cc1 ZINC000484467113 996786715 /nfs/dbraw/zinc/78/67/15/996786715.db2.gz MOPRSGFIHUXFAT-VWLOTQADSA-N 2 0 411.590 3.603 20 0 HHADRP COc1cc(CN2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614630 996947947 /nfs/dbraw/zinc/94/79/47/996947947.db2.gz KLOMOOZQJPYTRN-OAQYLSRUSA-N 2 0 401.595 3.665 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1)C[C@H]1CCCCO1 ZINC000484656667 996993586 /nfs/dbraw/zinc/99/35/86/996993586.db2.gz RKGZSXRFOMQKID-FYYLOGMGSA-N 2 0 416.610 3.882 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624011 997144001 /nfs/dbraw/zinc/14/40/01/997144001.db2.gz HZCOJVPRTFKCRQ-GBXCKJPGSA-N 2 0 424.589 3.652 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCC(OCCC[NH+](C)C)CC3)c2cc1OCC ZINC000484829263 997193094 /nfs/dbraw/zinc/19/30/94/997193094.db2.gz LSIYTSLMJPHZRO-UHFFFAOYSA-N 2 0 401.551 3.969 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[NH+](C)C)cc1 ZINC000484835926 997201595 /nfs/dbraw/zinc/20/15/95/997201595.db2.gz ISLFBGAIYSGAJI-HSZRJFAPSA-N 2 0 400.611 3.661 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000476871714 997447510 /nfs/dbraw/zinc/44/75/10/997447510.db2.gz FVLCNDSQDJUAPQ-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000476906098 997512233 /nfs/dbraw/zinc/51/22/33/997512233.db2.gz MFGDLEMMMPRDEE-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000476932155 997546637 /nfs/dbraw/zinc/54/66/37/997546637.db2.gz VRJSHUNXBILJAG-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000485220679 997594774 /nfs/dbraw/zinc/59/47/74/997594774.db2.gz RHLOLPNKESKIKG-DEOSSOPVSA-N 2 0 424.589 3.509 20 0 HHADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476983141 997605376 /nfs/dbraw/zinc/60/53/76/997605376.db2.gz KNKCHTVWUSLBNN-VIZSFHNOSA-N 2 0 413.606 3.991 20 0 HHADRP COc1cccc(COC[C@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986389 997610249 /nfs/dbraw/zinc/61/02/49/997610249.db2.gz PTJXDNBQLKAIMA-NFBKMPQASA-N 2 0 404.595 3.549 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000476990987 997617049 /nfs/dbraw/zinc/61/70/49/997617049.db2.gz XZCJSCWRSQJBLJ-PMACEKPBSA-N 2 0 401.595 3.676 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485343551 997762631 /nfs/dbraw/zinc/76/26/31/997762631.db2.gz HOICMOQHWZJXQJ-AUSIDOKSSA-N 2 0 410.537 3.723 20 0 HHADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000485393349 997821518 /nfs/dbraw/zinc/82/15/18/997821518.db2.gz MPTOTLAWXHXKHY-OAQYLSRUSA-N 2 0 408.590 3.898 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000477338641 998025855 /nfs/dbraw/zinc/02/58/55/998025855.db2.gz MNIDQUNGJSSLMF-XUZZJYLKSA-N 2 0 423.605 3.598 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000477338643 998026548 /nfs/dbraw/zinc/02/65/48/998026548.db2.gz MNIDQUNGJSSLMF-ZJSXRUAMSA-N 2 0 423.605 3.598 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250145 /nfs/dbraw/zinc/25/01/45/998250145.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 2 0 412.622 3.585 20 0 HHADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2=O)cc1 ZINC000477909244 998649379 /nfs/dbraw/zinc/64/93/79/998649379.db2.gz DJOCSRSBMDYBFL-VPBXCIAMSA-N 2 0 403.570 3.596 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000486214191 998651583 /nfs/dbraw/zinc/65/15/83/998651583.db2.gz LKOFRUGOACVGIN-CWKRKGSWSA-N 2 0 400.611 3.878 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000486217880 998654642 /nfs/dbraw/zinc/65/46/42/998654642.db2.gz BSDHBSDBIIMIIW-DHIUTWEWSA-N 2 0 400.611 3.934 20 0 HHADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccc(F)c(F)c1 ZINC000477941268 998670965 /nfs/dbraw/zinc/67/09/65/998670965.db2.gz RYUAGEBRTXEKTE-VMIIQTFKSA-N 2 0 400.513 3.616 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000486477927 998787458 /nfs/dbraw/zinc/78/74/58/998787458.db2.gz PQVXDSTYBYZFBV-MZYLBHOOSA-N 2 0 424.589 3.935 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000478620748 999050014 /nfs/dbraw/zinc/05/00/14/999050014.db2.gz KJQLTKFKSXREOW-NRFANRHFSA-N 2 0 405.627 3.525 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487061357 999051241 /nfs/dbraw/zinc/05/12/41/999051241.db2.gz DAZBASDFJPKKLT-NQIIRXRSSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487213453 999098761 /nfs/dbraw/zinc/09/87/61/999098761.db2.gz VJVGXOXWSLVHNR-ZEYPLWLESA-N 2 0 412.553 3.638 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478728851 999111061 /nfs/dbraw/zinc/11/10/61/999111061.db2.gz YKODZBWJEFXKQF-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478728852 999111078 /nfs/dbraw/zinc/11/10/78/999111078.db2.gz YKODZBWJEFXKQF-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000478896503 999199277 /nfs/dbraw/zinc/19/92/77/999199277.db2.gz FITUQDKBXMKJDB-SQJMNOBHSA-N 2 0 422.617 3.993 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520375 999206458 /nfs/dbraw/zinc/20/64/58/999206458.db2.gz PJSOZOGSPLTCBL-OFVILXPXSA-N 2 0 420.601 3.861 20 0 HHADRP Cc1c2ccccc2oc1[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000478970056 999228383 /nfs/dbraw/zinc/22/83/83/999228383.db2.gz ZUTMEBXXXZAIAG-IBGZPJMESA-N 2 0 421.545 3.709 20 0 HHADRP Cc1ccc(OCCC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1C ZINC000487875398 999301362 /nfs/dbraw/zinc/30/13/62/999301362.db2.gz OPUVOUCZLGSDNM-UHFFFAOYSA-N 2 0 415.622 3.777 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479311296 999378674 /nfs/dbraw/zinc/37/86/74/999378674.db2.gz KRWNCZXCJAJIQP-QMMLZNLJSA-N 2 0 404.986 3.745 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000479348814 999397801 /nfs/dbraw/zinc/39/78/01/999397801.db2.gz NEISNKMUJOPMTC-NHCUHLMSSA-N 2 0 418.607 3.740 20 0 HHADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479521066 999458001 /nfs/dbraw/zinc/45/80/01/999458001.db2.gz ZFWZGHVHXCMBAZ-HXUWFJFHSA-N 2 0 422.658 3.562 20 0 HHADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479552953 999474062 /nfs/dbraw/zinc/47/40/62/999474062.db2.gz HVYIFBTZNGGWAT-NRFANRHFSA-N 2 0 422.658 3.562 20 0 HHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479556534 999475949 /nfs/dbraw/zinc/47/59/49/999475949.db2.gz QZYMNUMKEXEHLD-CALCHBBNSA-N 2 0 401.016 3.981 20 0 HHADRP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616186 999547109 /nfs/dbraw/zinc/54/71/09/999547109.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479768300 999581145 /nfs/dbraw/zinc/58/11/45/999581145.db2.gz JBPHLWSCXIDNRI-SJORKVTESA-N 2 0 424.010 3.982 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000488868201 999631809 /nfs/dbraw/zinc/63/18/09/999631809.db2.gz ZRELDESEUVFJEY-UHFFFAOYSA-N 2 0 424.589 3.547 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479883677 999635447 /nfs/dbraw/zinc/63/54/47/999635447.db2.gz MINAMIQDXPEHOH-KRWDZBQOSA-N 2 0 401.436 3.963 20 0 HHADRP Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000488995484 999667287 /nfs/dbraw/zinc/66/72/87/999667287.db2.gz IECFCWPTVBCWIZ-SFTDATJTSA-N 2 0 406.574 3.699 20 0 HHADRP CC[NH+]1CCC(N[C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000480034926 999695274 /nfs/dbraw/zinc/69/52/74/999695274.db2.gz BFSIUCUKQWTLFS-MRXNPFEDSA-N 2 0 400.304 3.579 20 0 HHADRP CN(c1ccccc1CNCc1cccnc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000480035232 999695646 /nfs/dbraw/zinc/69/56/46/999695646.db2.gz DCTLXJAZEDTTCC-UHFFFAOYSA-N 2 0 404.505 3.546 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000489141846 999710915 /nfs/dbraw/zinc/71/09/15/999710915.db2.gz RPYASZHWXCPHNO-VQTJNVASSA-N 2 0 407.002 3.724 20 0 HHADRP Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)nc(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000480088957 999714228 /nfs/dbraw/zinc/71/42/28/999714228.db2.gz DIGVVOMPLKXBAF-UHFFFAOYSA-N 2 0 403.619 3.530 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000489210024 999723120 /nfs/dbraw/zinc/72/31/20/999723120.db2.gz ZXQPTVQMQGRKGT-JQVVWYNYSA-N 2 0 414.619 3.951 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000480164404 999734632 /nfs/dbraw/zinc/73/46/32/999734632.db2.gz LJFLKZOXIJMWOX-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000489274869 999735019 /nfs/dbraw/zinc/73/50/19/999735019.db2.gz FJXBPYSGBWDMGY-AREMUKBSSA-N 2 0 420.601 3.946 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000489290221 999738263 /nfs/dbraw/zinc/73/82/63/999738263.db2.gz AZPCMBUNJHDSAJ-YFXJRYMSSA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@@H+](C2CCC2)C1 ZINC000489403562 999760003 /nfs/dbraw/zinc/76/00/03/999760003.db2.gz ODRMWYCEYCAZCT-BBTUJRGHSA-N 2 0 404.624 3.647 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccco1 ZINC000489420608 999763910 /nfs/dbraw/zinc/76/39/10/999763910.db2.gz AGWHVEACRVYBSP-JOCHJYFZSA-N 2 0 412.578 3.969 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000489444495 999768878 /nfs/dbraw/zinc/76/88/78/999768878.db2.gz XXVWJKIAQYDEGM-YFXJRYMSSA-N 2 0 412.553 3.638 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000489462059 999772293 /nfs/dbraw/zinc/77/22/93/999772293.db2.gz VUZICTAYEDKJOA-UHFFFAOYSA-N 2 0 408.590 3.733 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000480459989 999804223 /nfs/dbraw/zinc/80/42/23/999804223.db2.gz JKBPWFYKQSZKEZ-QGZVFWFLSA-N 2 0 404.576 3.791 20 0 HHADRP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466826 999805932 /nfs/dbraw/zinc/80/59/32/999805932.db2.gz ZEPOQRKEEJWJQM-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480535892 999820805 /nfs/dbraw/zinc/82/08/05/999820805.db2.gz MFZOXJOXPWWNLS-LJQANCHMSA-N 2 0 402.583 3.942 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480535891 999820831 /nfs/dbraw/zinc/82/08/31/999820831.db2.gz MFZOXJOXPWWNLS-IBGZPJMESA-N 2 0 402.583 3.942 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480541482 999821911 /nfs/dbraw/zinc/82/19/11/999821911.db2.gz ZIAWVWBZWFRHIC-ZWKOTPCHSA-N 2 0 412.441 3.848 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480541479 999822046 /nfs/dbraw/zinc/82/20/46/999822046.db2.gz ZIAWVWBZWFRHIC-ROUUACIJSA-N 2 0 412.441 3.848 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489726920 999825718 /nfs/dbraw/zinc/82/57/18/999825718.db2.gz ICEHJHXHAYJUGE-PWRODBHTSA-N 2 0 412.622 3.659 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604393 999838704 /nfs/dbraw/zinc/83/87/04/999838704.db2.gz BELAAQRMGIHKCL-LEWJYISDSA-N 2 0 421.589 3.590 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480607164 999839372 /nfs/dbraw/zinc/83/93/72/999839372.db2.gz DLGGHEJAYVGERY-WOJBJXKFSA-N 2 0 409.640 3.880 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480616859 999842233 /nfs/dbraw/zinc/84/22/33/999842233.db2.gz WJCKGWGOOOQNRU-SJORKVTESA-N 2 0 402.608 3.804 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000480635527 999847045 /nfs/dbraw/zinc/84/70/45/999847045.db2.gz ATHFDSCCNDPMAU-OALUTQOASA-N 2 0 415.603 3.820 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000480660860 999853515 /nfs/dbraw/zinc/85/35/15/999853515.db2.gz QBGKOIJDYOGPGH-OYRHEFFESA-N 2 0 410.606 3.932 20 0 HHADRP CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000480671725 999855487 /nfs/dbraw/zinc/85/54/87/999855487.db2.gz FNVSEZUIGGRWIM-IBGZPJMESA-N 2 0 417.619 3.891 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490019894 999878953 /nfs/dbraw/zinc/87/89/53/999878953.db2.gz LAENDSOUDRSYSJ-BWKNWUBXSA-N 2 0 420.601 3.732 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490019895 999879006 /nfs/dbraw/zinc/87/90/06/999879006.db2.gz LAENDSOUDRSYSJ-OFVILXPXSA-N 2 0 420.601 3.732 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000490124237 999896516 /nfs/dbraw/zinc/89/65/16/999896516.db2.gz JIDNAXCGKVOYGM-DEOSSOPVSA-N 2 0 409.574 3.990 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2C1 ZINC000490162590 999902618 /nfs/dbraw/zinc/90/26/18/999902618.db2.gz AGMUAKHFEGXWSP-AREMUKBSSA-N 2 0 420.601 3.672 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)CC3 ZINC000490168158 999903512 /nfs/dbraw/zinc/90/35/12/999903512.db2.gz RWXLOODBKCAXSL-FQEVSTJZSA-N 2 0 403.574 3.531 20 0 HHADRP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825907 1000012493 /nfs/dbraw/zinc/01/24/93/1000012493.db2.gz LKVWKXYOPCFHSA-OFVILXPXSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000490940541 1000025962 /nfs/dbraw/zinc/02/59/62/1000025962.db2.gz SXMSURRQBDLKLU-ZCNNSNEGSA-N 2 0 418.651 3.766 20 0 HHADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000205 1000032250 /nfs/dbraw/zinc/03/22/50/1000032250.db2.gz ZNPCSTRDFBTRSB-UYAOXDASSA-N 2 0 413.528 3.822 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491022229 1000034951 /nfs/dbraw/zinc/03/49/51/1000034951.db2.gz PBIFHNHXVCOPRB-JOCHJYFZSA-N 2 0 403.517 3.995 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000491052966 1000039684 /nfs/dbraw/zinc/03/96/84/1000039684.db2.gz RPOKHAXNMLTWDQ-JOCHJYFZSA-N 2 0 409.574 3.611 20 0 HHADRP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491331356 1000065825 /nfs/dbraw/zinc/06/58/25/1000065825.db2.gz XTFRVBVGBMWDKJ-QHCPKHFHSA-N 2 0 417.981 3.674 20 0 HHADRP Cc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)c2ccccc2Cl)cc1 ZINC000493012057 1000154161 /nfs/dbraw/zinc/15/41/61/1000154161.db2.gz XFBNUZWXYBMEMA-XMMPIXPASA-N 2 0 416.009 3.718 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000493227565 1000163874 /nfs/dbraw/zinc/16/38/74/1000163874.db2.gz KJSQNVGHBJXIRO-IBGZPJMESA-N 2 0 407.327 3.724 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1)C1CCOCC1 ZINC000493827469 1000196215 /nfs/dbraw/zinc/19/62/15/1000196215.db2.gz ZRQBOJWSWARVHL-TZRRMPRUSA-N 2 0 414.590 3.614 20 0 HHADRP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861258 1000198644 /nfs/dbraw/zinc/19/86/44/1000198644.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 2 0 411.512 3.678 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](COC)c3ccc(Cl)cc3)cc2)CC1 ZINC000493971291 1000244970 /nfs/dbraw/zinc/24/49/70/1000244970.db2.gz WPXPHHGZZMGVQA-HSZRJFAPSA-N 2 0 401.982 3.955 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000504737220 1000348411 /nfs/dbraw/zinc/34/84/11/1000348411.db2.gz JJXBNNQLZGIXQT-UHFFFAOYSA-N 2 0 408.590 3.597 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566965 1000557557 /nfs/dbraw/zinc/55/75/57/1000557557.db2.gz XMKASADKIOLLDZ-DEOSSOPVSA-N 2 0 409.549 3.773 20 0 HHADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000505137512 1000570694 /nfs/dbraw/zinc/57/06/94/1000570694.db2.gz ZNSHWTVHDMTCMU-HXUWFJFHSA-N 2 0 415.419 3.660 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)(N2CCCCC2)CC1 ZINC000495088286 1000829452 /nfs/dbraw/zinc/82/94/52/1000829452.db2.gz UUZUMLIRBOGSIL-OFNKIYASSA-N 2 0 403.586 3.833 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605656 1000931001 /nfs/dbraw/zinc/93/10/01/1000931001.db2.gz HPSHFVTXTCRMHO-GBXCKJPGSA-N 2 0 408.590 3.638 20 0 HHADRP C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000495414642 1001004270 /nfs/dbraw/zinc/00/42/70/1001004270.db2.gz IUBYIABLQXSEBE-HNNXBMFYSA-N 2 0 420.351 3.679 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495420372 1001005987 /nfs/dbraw/zinc/00/59/87/1001005987.db2.gz HLQXPJCPGMFBOG-WAOWUJCRSA-N 2 0 401.576 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785803 1001022667 /nfs/dbraw/zinc/02/26/67/1001022667.db2.gz WWRUFPFXTJGFLG-IBGZPJMESA-N 2 0 418.582 3.746 20 0 HHADRP O=C([C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000506047075 1001189306 /nfs/dbraw/zinc/18/93/06/1001189306.db2.gz GVLALPXANWCDPH-XMMPIXPASA-N 2 0 413.606 3.565 20 0 HHADRP COC(=O)c1cc2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)ccc2o1 ZINC000506046992 1001189330 /nfs/dbraw/zinc/18/93/30/1001189330.db2.gz FXYSOHPUHCVLCR-UHFFFAOYSA-N 2 0 400.519 3.544 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245941 1001304262 /nfs/dbraw/zinc/30/42/62/1001304262.db2.gz CMJAIJDILCSDJW-JOCHJYFZSA-N 2 0 406.574 3.679 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000497611014 1001458174 /nfs/dbraw/zinc/45/81/74/1001458174.db2.gz LFRJWBQZOILHIM-NTKDMRAZSA-N 2 0 424.589 3.823 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619826 1001461258 /nfs/dbraw/zinc/46/12/58/1001461258.db2.gz FCQNASNNQFEELN-IFMALSPDSA-N 2 0 419.013 3.678 20 0 HHADRP CN(c1ccccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1)C1CC[NH+](C)CC1 ZINC000506619542 1001473447 /nfs/dbraw/zinc/47/34/47/1001473447.db2.gz WMQPBCSDPVNRBY-UHFFFAOYSA-N 2 0 413.997 3.588 20 0 HHADRP [NH3+]C1(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CCCCC1 ZINC000506690171 1001495154 /nfs/dbraw/zinc/49/51/54/1001495154.db2.gz ZPACQSRGMNWKSJ-UHFFFAOYSA-N 2 0 406.574 3.605 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922046 1001594784 /nfs/dbraw/zinc/59/47/84/1001594784.db2.gz MPHMXBZYNIRUCI-YPAWHYETSA-N 2 0 412.622 3.729 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507359962 1002021774 /nfs/dbraw/zinc/02/17/74/1002021774.db2.gz MDOVBSNPFJEZFK-GGAORHGYSA-N 2 0 408.590 3.521 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000507413220 1002058638 /nfs/dbraw/zinc/05/86/38/1002058638.db2.gz ISMXKZNYNVMAHA-OAQYLSRUSA-N 2 0 408.590 3.946 20 0 HHADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000507513869 1002124649 /nfs/dbraw/zinc/12/46/49/1002124649.db2.gz RTOBICLHCSPRRE-FTBPSBKWSA-N 2 0 424.633 3.993 20 0 HHADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000507513873 1002124851 /nfs/dbraw/zinc/12/48/51/1002124851.db2.gz RTOBICLHCSPRRE-IEZKXTBUSA-N 2 0 424.633 3.993 20 0 HHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507722911 1002310293 /nfs/dbraw/zinc/31/02/93/1002310293.db2.gz KKHRUFDTFXBMHT-UHFFFAOYSA-N 2 0 404.505 3.679 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507839571 1002380133 /nfs/dbraw/zinc/38/01/33/1002380133.db2.gz DKSMVHKARJYVSL-UHFFFAOYSA-N 2 0 413.606 3.637 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000499001069 1002380342 /nfs/dbraw/zinc/38/03/42/1002380342.db2.gz CERCVZRFZTUYEO-ISKFKSNPSA-N 2 0 423.605 3.537 20 0 HHADRP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113373 1002502957 /nfs/dbraw/zinc/50/29/57/1002502957.db2.gz PLVHPLSATIAUEH-JBXUNAHCSA-N 2 0 418.585 3.744 20 0 HHADRP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113377 1002503347 /nfs/dbraw/zinc/50/33/47/1002503347.db2.gz PLVHPLSATIAUEH-ZFFYZDHPSA-N 2 0 418.585 3.744 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000508131867 1002664096 /nfs/dbraw/zinc/66/40/96/1002664096.db2.gz LLDLBCFDANQZFM-PMACEKPBSA-N 2 0 400.611 3.648 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501797 1002983694 /nfs/dbraw/zinc/98/36/94/1002983694.db2.gz FMWYGFLESJRRKI-OAQYLSRUSA-N 2 0 407.549 3.724 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508692826 1003130785 /nfs/dbraw/zinc/13/07/85/1003130785.db2.gz BENOKFZMKMMGHK-CTNGQTDRSA-N 2 0 409.549 3.931 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718990 1003159078 /nfs/dbraw/zinc/15/90/78/1003159078.db2.gz OOMSCOCFWQTULM-YGPDHOBYSA-N 3 0 420.645 3.865 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508868486 1003288810 /nfs/dbraw/zinc/28/88/10/1003288810.db2.gz FTTNQADKGBHRNJ-WMZHIEFXSA-N 2 0 412.578 3.885 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877433 1003298134 /nfs/dbraw/zinc/29/81/34/1003298134.db2.gz YCOIRVSQXQLEBC-WMZHIEFXSA-N 2 0 409.578 3.641 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000508883283 1003306464 /nfs/dbraw/zinc/30/64/64/1003306464.db2.gz VGSXTIQXWPWZBU-HTAPYJJXSA-N 2 0 418.532 3.729 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508899036 1003330956 /nfs/dbraw/zinc/33/09/56/1003330956.db2.gz SIEVQNJLFGRFLR-JTSKRJEESA-N 2 0 418.532 3.729 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508924447 1003364065 /nfs/dbraw/zinc/36/40/65/1003364065.db2.gz PPSRNADXDIGZRE-XMSQKQJNSA-N 2 0 400.542 3.590 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000500049437 1003384042 /nfs/dbraw/zinc/38/40/42/1003384042.db2.gz LJYDMEXBJJGPRA-UHFFFAOYSA-N 2 0 416.525 3.816 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020027 1003492014 /nfs/dbraw/zinc/49/20/14/1003492014.db2.gz BHIOQPYHARNIQS-ILBGXUMGSA-N 2 0 406.618 3.699 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1)CC(C)C ZINC000509027468 1003498567 /nfs/dbraw/zinc/49/85/67/1003498567.db2.gz DNRLJEKCGIBYGD-UHFFFAOYSA-N 2 0 404.624 3.687 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030056 1003500913 /nfs/dbraw/zinc/50/09/13/1003500913.db2.gz HHDAYWVVWWSMQI-GHTZIAJQSA-N 2 0 407.002 3.850 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000500160547 1003514451 /nfs/dbraw/zinc/51/44/51/1003514451.db2.gz NKJGMMALTXJNJU-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000500422103 1003706834 /nfs/dbraw/zinc/70/68/34/1003706834.db2.gz DOUJDIXDYFRRKF-UHFFFAOYSA-N 2 0 406.530 3.878 20 0 HHADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500421776 1003706899 /nfs/dbraw/zinc/70/68/99/1003706899.db2.gz OPCMNFQZHAODGM-XMMPIXPASA-N 2 0 407.558 3.858 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000511832408 1003806822 /nfs/dbraw/zinc/80/68/22/1003806822.db2.gz ABSQJSWBDDOCJU-RUZDIDTESA-N 2 0 423.601 3.704 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@H]1c1ccccc1 ZINC000500791132 1003958876 /nfs/dbraw/zinc/95/88/76/1003958876.db2.gz JFVYKMQMEYPPKT-QHCPKHFHSA-N 2 0 407.562 3.531 20 0 HHADRP CC[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000500802264 1003966805 /nfs/dbraw/zinc/96/68/05/1003966805.db2.gz DIWYNUYYFAHVAN-QHCPKHFHSA-N 2 0 400.611 3.587 20 0 HHADRP CC(C)[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCC(C)CC1 ZINC000500809292 1003970963 /nfs/dbraw/zinc/97/09/63/1003970963.db2.gz NWADGLHFNCKSJD-HSZRJFAPSA-N 2 0 415.626 3.696 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000500816561 1003976554 /nfs/dbraw/zinc/97/65/54/1003976554.db2.gz XPHHWXDIYJMZPP-XMMPIXPASA-N 2 0 423.605 3.805 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000512158239 1004065102 /nfs/dbraw/zinc/06/51/02/1004065102.db2.gz KKJHKNQJRDVKCT-JRFVFWCSSA-N 2 0 424.633 3.945 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512170786 1004074065 /nfs/dbraw/zinc/07/40/65/1004074065.db2.gz DNHLHXVBCMUYCO-QFIPXVFZSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509777149 1004088660 /nfs/dbraw/zinc/08/86/60/1004088660.db2.gz LVKUHBJCFUYUGY-RDPSFJRHSA-N 2 0 408.590 3.848 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783075 1004092949 /nfs/dbraw/zinc/09/29/49/1004092949.db2.gz OVQVNXAFLSXLOW-IPMKNSEASA-N 2 0 411.512 3.534 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000512195900 1004096714 /nfs/dbraw/zinc/09/67/14/1004096714.db2.gz OHGVIBPGUTUXDJ-PWGHIRGTSA-N 2 0 410.650 3.804 20 0 HHADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018118 1004120867 /nfs/dbraw/zinc/12/08/67/1004120867.db2.gz CNWXFEUKDHYAAI-XMMPIXPASA-N 2 0 408.590 3.786 20 0 HHADRP CC(C)C[NH+]1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000509829021 1004128589 /nfs/dbraw/zinc/12/85/89/1004128589.db2.gz VTAYFBWOENWHIK-UHFFFAOYSA-N 2 0 422.013 3.856 20 0 HHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC2)CC1 ZINC000501033011 1004135595 /nfs/dbraw/zinc/13/55/95/1004135595.db2.gz RFOIPKYVEJWASX-UHFFFAOYSA-N 2 0 401.595 3.632 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004135970 /nfs/dbraw/zinc/13/59/70/1004135970.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 2 0 418.585 3.612 20 0 HHADRP C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051948 1004154527 /nfs/dbraw/zinc/15/45/27/1004154527.db2.gz ZTTWKMJZPRSRBA-UHFFFAOYSA-N 2 0 413.522 3.617 20 0 HHADRP C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067980 1004170134 /nfs/dbraw/zinc/17/01/34/1004170134.db2.gz JLQFNBRKNRXSIE-ILBGXUMGSA-N 2 0 409.574 3.685 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000501069977 1004172656 /nfs/dbraw/zinc/17/26/56/1004172656.db2.gz CNUPDLOUMGQMNK-UHFFFAOYSA-N 2 0 413.610 3.737 20 0 HHADRP Cc1cc(C)c(CCNC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501072559 1004175826 /nfs/dbraw/zinc/17/58/26/1004175826.db2.gz ZMRNHSIDNOBULC-UHFFFAOYSA-N 2 0 408.590 3.514 20 0 HHADRP C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077534 1004182265 /nfs/dbraw/zinc/18/22/65/1004182265.db2.gz IMWMRYCMNZHKTP-UHFFFAOYSA-N 2 0 409.559 3.629 20 0 HHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501086357 1004192133 /nfs/dbraw/zinc/19/21/33/1004192133.db2.gz JQPQUJQINIOIJN-FUHIMQAGSA-N 2 0 410.965 3.646 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512316189 1004211382 /nfs/dbraw/zinc/21/13/82/1004211382.db2.gz XDKWCZXBEADBAW-RUZDIDTESA-N 2 0 405.586 3.565 20 0 HHADRP C[NH+](C)CCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000509939243 1004220127 /nfs/dbraw/zinc/22/01/27/1004220127.db2.gz CFJLRMRHBYXUCF-QFIPXVFZSA-N 2 0 423.605 3.639 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501172728 1004253248 /nfs/dbraw/zinc/25/32/48/1004253248.db2.gz IZBLZDHNSRRTGR-AVRDEDQJSA-N 2 0 414.619 3.877 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512406433 1004275589 /nfs/dbraw/zinc/27/55/89/1004275589.db2.gz PXJCESQNHRYIHK-QPPBQGQZSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425058 1004291046 /nfs/dbraw/zinc/29/10/46/1004291046.db2.gz WXXHBCGDFXEGHF-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000501222266 1004291294 /nfs/dbraw/zinc/29/12/94/1004291294.db2.gz QYXBAFSZZGQICI-HSZRJFAPSA-N 2 0 400.611 3.599 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000510067155 1004301173 /nfs/dbraw/zinc/30/11/73/1004301173.db2.gz ZLYTWOZNMFBRJR-UHFFFAOYSA-N 2 0 400.567 3.643 20 0 HHADRP Fc1ccc(-c2cc(CN3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481753 1004334430 /nfs/dbraw/zinc/33/44/30/1004334430.db2.gz XXTAWUMGNARMHQ-HSZRJFAPSA-N 2 0 420.532 3.873 20 0 HHADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501328677 1004351765 /nfs/dbraw/zinc/35/17/65/1004351765.db2.gz LXCVRYXYPXRSSR-DEOSSOPVSA-N 2 0 408.590 3.597 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143276 1004353816 /nfs/dbraw/zinc/35/38/16/1004353816.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 2 0 411.384 3.671 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000501337976 1004355649 /nfs/dbraw/zinc/35/56/49/1004355649.db2.gz ZKRJWCNMMXDGMF-VXKWHMMOSA-N 2 0 410.562 3.553 20 0 HHADRP CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376572 1004376496 /nfs/dbraw/zinc/37/64/96/1004376496.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 2 0 400.611 3.777 20 0 HHADRP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401995 1004394047 /nfs/dbraw/zinc/39/40/47/1004394047.db2.gz GTWPZCPIOAISMM-HARLFGEKSA-N 2 0 412.553 3.638 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000501402316 1004394871 /nfs/dbraw/zinc/39/48/71/1004394871.db2.gz YUHPFYIUJZUHFK-XZOQPEGZSA-N 2 0 416.610 3.642 20 0 HHADRP O[C@]1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611232 1004424946 /nfs/dbraw/zinc/42/49/46/1004424946.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 2 0 419.613 3.514 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@H]3C2)cc1 ZINC000512612303 1004425894 /nfs/dbraw/zinc/42/58/94/1004425894.db2.gz OJOSIQFWSVWATN-CCDWMCETSA-N 2 0 405.586 3.914 20 0 HHADRP CC1CC[NH+](CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000501494562 1004464877 /nfs/dbraw/zinc/46/48/77/1004464877.db2.gz KWOHTCSHUSNGMM-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527076 1004491419 /nfs/dbraw/zinc/49/14/19/1004491419.db2.gz GGFOQRARIGFGDC-FQEVSTJZSA-N 2 0 407.480 3.852 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713326 1004512432 /nfs/dbraw/zinc/51/24/32/1004512432.db2.gz ZLSWWAIIHBYQOH-OALUTQOASA-N 2 0 402.583 3.538 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000501615708 1004554705 /nfs/dbraw/zinc/55/47/05/1004554705.db2.gz HUDQEZAFHCZZTH-JOCHJYFZSA-N 2 0 424.564 3.808 20 0 HHADRP FC(F)OC[C@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](COC(F)F)C3)cc2)C1 ZINC000512796587 1004563752 /nfs/dbraw/zinc/56/37/52/1004563752.db2.gz IMLPFOBXKJCOIW-ROUUACIJSA-N 2 0 404.448 3.809 20 0 HHADRP CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510455500 1004578326 /nfs/dbraw/zinc/57/83/26/1004578326.db2.gz GPWOAFRWDKRUMM-PKTZIBPZSA-N 2 0 424.589 3.861 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000512820770 1004579915 /nfs/dbraw/zinc/57/99/15/1004579915.db2.gz NTNUNYIWNVYTPP-FYYLOGMGSA-N 2 0 416.610 3.736 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462741 1004583429 /nfs/dbraw/zinc/58/34/29/1004583429.db2.gz XPEKMFLIOUATAH-FGZHOGPDSA-N 2 0 410.562 3.689 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510484735 1004601732 /nfs/dbraw/zinc/60/17/32/1004601732.db2.gz YMCYYQVJWFWGCD-TZIWHRDSSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501706788 1004626356 /nfs/dbraw/zinc/62/63/56/1004626356.db2.gz CTCNXURMEAMONF-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000512911766 1004682352 /nfs/dbraw/zinc/68/23/52/1004682352.db2.gz JWTWDSAGJHRKIT-GMAHTHKFSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510561331 1004704604 /nfs/dbraw/zinc/70/46/04/1004704604.db2.gz NCPFMTOZFZDJKV-QUCCMNQESA-N 2 0 416.585 3.742 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510575638 1004721664 /nfs/dbraw/zinc/72/16/64/1004721664.db2.gz ZMHLPLYBNDACES-ZJOUEHCJSA-N 2 0 402.583 3.759 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000501804422 1004746121 /nfs/dbraw/zinc/74/61/21/1004746121.db2.gz KSGMCFBPCISXCH-IBGZPJMESA-N 2 0 419.635 3.584 20 0 HHADRP C[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)(N2CCCCC2)CC1 ZINC000513035130 1004770403 /nfs/dbraw/zinc/77/04/03/1004770403.db2.gz JJWOFVGBRMBFGX-UHFFFAOYSA-N 2 0 419.057 3.844 20 0 HHADRP C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501857972 1004780329 /nfs/dbraw/zinc/78/03/29/1004780329.db2.gz MFHVPRGOCPXOIJ-SYVJQLTCSA-N 2 0 424.633 3.947 20 0 HHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000510666207 1004788513 /nfs/dbraw/zinc/78/85/13/1004788513.db2.gz DGYPZNCPERXQDD-PXNSSMCTSA-N 2 0 415.528 3.773 20 0 HHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000510686366 1004798867 /nfs/dbraw/zinc/79/88/67/1004798867.db2.gz MDAWXYOHBOPHFI-KRWDZBQOSA-N 2 0 406.496 3.963 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000501938563 1004819406 /nfs/dbraw/zinc/81/94/06/1004819406.db2.gz NBYAXVARTZPBCA-IBGZPJMESA-N 2 0 410.400 3.621 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000513212481 1004863481 /nfs/dbraw/zinc/86/34/81/1004863481.db2.gz MHYBBKFXTYLYIC-LJQANCHMSA-N 2 0 411.569 3.682 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1CCCCCC1 ZINC000510869527 1004901919 /nfs/dbraw/zinc/90/19/19/1004901919.db2.gz YDIGKBBFMVWMLU-IBGZPJMESA-N 2 0 400.567 3.704 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397651 1004943111 /nfs/dbraw/zinc/94/31/11/1004943111.db2.gz MTDIWJOTHZXMKC-NHCUHLMSSA-N 2 0 405.533 3.621 20 0 HHADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000510942856 1004946326 /nfs/dbraw/zinc/94/63/26/1004946326.db2.gz COFSSEYCCZCXJR-QEGGNFSNSA-N 2 0 417.597 3.720 20 0 HHADRP Cc1c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494272 1004990427 /nfs/dbraw/zinc/99/04/27/1004990427.db2.gz GZYATTMPLJNKEO-NFBKMPQASA-N 2 0 418.585 3.875 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502434185 1005074401 /nfs/dbraw/zinc/07/44/01/1005074401.db2.gz YHPHESVBYBCXER-IBGZPJMESA-N 2 0 409.578 3.675 20 0 HHADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511209996 1005075310 /nfs/dbraw/zinc/07/53/10/1005075310.db2.gz YBOSEQLLFTXRIK-QHCPKHFHSA-N 2 0 409.599 3.630 20 0 HHADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000513692308 1005084500 /nfs/dbraw/zinc/08/45/00/1005084500.db2.gz YYHAWTVUIDKVHO-WBADGQHESA-N 2 0 407.606 3.997 20 0 HHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000502475110 1005086577 /nfs/dbraw/zinc/08/65/77/1005086577.db2.gz IWOYBFLWGCNJLB-WMZHIEFXSA-N 2 0 412.574 3.690 20 0 HHADRP CC[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000511266576 1005098140 /nfs/dbraw/zinc/09/81/40/1005098140.db2.gz MOOXIDGZFDKGEY-XMMPIXPASA-N 2 0 423.626 3.802 20 0 HHADRP COc1c(Br)cc(Br)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513725947 1005098250 /nfs/dbraw/zinc/09/82/50/1005098250.db2.gz UZGMJTPTBLKJLF-UHFFFAOYSA-N 2 0 420.189 3.994 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000511266867 1005098719 /nfs/dbraw/zinc/09/87/19/1005098719.db2.gz NLTLJGGYLARCAA-UHFFFAOYSA-N 2 0 422.017 3.866 20 0 HHADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000513733098 1005101086 /nfs/dbraw/zinc/10/10/86/1005101086.db2.gz NQGMGSKIAXOABQ-UHFFFAOYSA-N 2 0 407.299 3.833 20 0 HHADRP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1=CC[NH+](C)CC1 ZINC000511284817 1005107437 /nfs/dbraw/zinc/10/74/37/1005107437.db2.gz FBVXNFUSWSHLHE-DYESRHJHSA-N 2 0 404.986 3.644 20 0 HHADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511295576 1005112629 /nfs/dbraw/zinc/11/26/29/1005112629.db2.gz VJVWGCQWQIPVME-ADGBJGEGSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511295579 1005112824 /nfs/dbraw/zinc/11/28/24/1005112824.db2.gz VJVWGCQWQIPVME-WOOVXOMTSA-N 2 0 412.622 3.849 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000502598701 1005134350 /nfs/dbraw/zinc/13/43/50/1005134350.db2.gz ARAKAPIYYZJRLU-UHFFFAOYSA-N 2 0 408.999 3.809 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891124 1005175387 /nfs/dbraw/zinc/17/53/87/1005175387.db2.gz APBKVIVHZACPIS-AGILITTLSA-N 2 0 406.574 3.958 20 0 HHADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000513926579 1005191330 /nfs/dbraw/zinc/19/13/30/1005191330.db2.gz WBPMYKGDIJGOMQ-LOSJGSFVSA-N 2 0 405.586 3.891 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502821097 1005232076 /nfs/dbraw/zinc/23/20/76/1005232076.db2.gz DYUMJECBNBWEOO-KXTRFFEISA-N 2 0 412.622 3.945 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000514030448 1005235083 /nfs/dbraw/zinc/23/50/83/1005235083.db2.gz GQZWEDSCKDEDRL-UHFFFAOYSA-N 2 0 420.601 3.994 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000502840489 1005239964 /nfs/dbraw/zinc/23/99/64/1005239964.db2.gz HATVEBBLHSYZHK-RBBKRZOGSA-N 2 0 416.610 3.786 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000502843697 1005240851 /nfs/dbraw/zinc/24/08/51/1005240851.db2.gz JPRXXRPXNIPTDH-NZQKXSOJSA-N 2 0 416.610 3.786 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)C1CC1 ZINC000511644347 1005258286 /nfs/dbraw/zinc/25/82/86/1005258286.db2.gz GSOMSDNAUXFYJL-UHFFFAOYSA-N 2 0 407.558 3.798 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000511649380 1005261225 /nfs/dbraw/zinc/26/12/25/1005261225.db2.gz RWUNNBGGMQCSAX-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000502891971 1005261794 /nfs/dbraw/zinc/26/17/94/1005261794.db2.gz IETZKZVXUPMREF-BGYRXZFFSA-N 2 0 404.599 3.644 20 0 HHADRP CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502952588 1005290318 /nfs/dbraw/zinc/29/03/18/1005290318.db2.gz UGERSXXSKVOPEN-HSZRJFAPSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccco1 ZINC000514173306 1005298336 /nfs/dbraw/zinc/29/83/36/1005298336.db2.gz VPPSZKGRMJPLLD-QZTJIDSGSA-N 2 0 404.580 3.860 20 0 HHADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185039 1005303056 /nfs/dbraw/zinc/30/30/56/1005303056.db2.gz BUTZNGHGDLBPQV-VWLOTQADSA-N 2 0 405.586 3.914 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217835 1005318409 /nfs/dbraw/zinc/31/84/09/1005318409.db2.gz FYLCBCWZHFBBAJ-HUVFLSCGSA-N 2 0 406.574 3.958 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000503079571 1005341745 /nfs/dbraw/zinc/34/17/45/1005341745.db2.gz CGCXZQALYIEQPF-UWJYYQICSA-N 2 0 400.542 3.857 20 0 HHADRP COc1cccc([C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000503104793 1005348411 /nfs/dbraw/zinc/34/84/11/1005348411.db2.gz NNZGPOTYLKHJCZ-DEOSSOPVSA-N 2 0 424.589 3.604 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000503337269 1005393141 /nfs/dbraw/zinc/39/31/41/1005393141.db2.gz CPNBJGKPZYSICT-NHCUHLMSSA-N 2 0 404.599 3.816 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)CC1 ZINC000503398123 1005407898 /nfs/dbraw/zinc/40/78/98/1005407898.db2.gz ZTGAAVJUDHRIIA-QFIPXVFZSA-N 2 0 412.622 3.588 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401706 1005409038 /nfs/dbraw/zinc/40/90/38/1005409038.db2.gz QWDIRBCFTQGISQ-FIXSFTCYSA-N 2 0 412.622 3.975 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402257 1005409328 /nfs/dbraw/zinc/40/93/28/1005409328.db2.gz SPYPVHOJTAMQSM-ZEQRLZLVSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503416834 1005413964 /nfs/dbraw/zinc/41/39/64/1005413964.db2.gz AUPLLXCLBXPTBS-XJUOHMSHSA-N 2 0 414.638 3.607 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000504041196 1005539062 /nfs/dbraw/zinc/53/90/62/1005539062.db2.gz ZXMZLMICWQCISZ-FQEVSTJZSA-N 2 0 406.640 3.941 20 0 HHADRP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000504267820 1005585890 /nfs/dbraw/zinc/58/58/90/1005585890.db2.gz PHFPBTBCTINLPS-JOCHJYFZSA-N 2 0 403.636 3.722 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000504296832 1005591649 /nfs/dbraw/zinc/59/16/49/1005591649.db2.gz VEWGWQILTYJHQC-DHIUTWEWSA-N 2 0 406.574 3.841 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1 ZINC000514509471 1006012965 /nfs/dbraw/zinc/01/29/65/1006012965.db2.gz BMPIIZCGQUHJKP-XMMPIXPASA-N 2 0 423.605 3.951 20 0 HHADRP C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000531167327 1006025759 /nfs/dbraw/zinc/02/57/59/1006025759.db2.gz BILHGMVNMHBJPY-JOCHJYFZSA-N 2 0 407.602 3.968 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531204704 1006045857 /nfs/dbraw/zinc/04/58/57/1006045857.db2.gz MIKRMZJNAGBWET-UHFFFAOYSA-N 2 0 408.590 3.977 20 0 HHADRP CCC(CC)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000531300485 1006103400 /nfs/dbraw/zinc/10/34/00/1006103400.db2.gz WMBDFAXTRWYCOI-HFZDXXHNSA-N 2 0 423.601 3.649 20 0 HHADRP CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000531405982 1006176976 /nfs/dbraw/zinc/17/69/76/1006176976.db2.gz RUGZIODWVPVFMR-UHFFFAOYSA-N 2 0 423.601 3.934 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)cc1 ZINC000531441810 1006198253 /nfs/dbraw/zinc/19/82/53/1006198253.db2.gz CJBLUFGVRDEVGC-XMMPIXPASA-N 2 0 406.574 3.868 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000534227038 1006225163 /nfs/dbraw/zinc/22/51/63/1006225163.db2.gz SNLJYRXUFSJLQS-HSZRJFAPSA-N 2 0 412.622 3.662 20 0 HHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000531535447 1006261297 /nfs/dbraw/zinc/26/12/97/1006261297.db2.gz NIHUUBGGRDOWOU-UHFFFAOYSA-N 2 0 417.553 3.943 20 0 HHADRP CN(c1ccccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000531594502 1006292695 /nfs/dbraw/zinc/29/26/95/1006292695.db2.gz BJVWVCSTAJWCJY-XMMPIXPASA-N 2 0 406.618 3.971 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000531621024 1006310494 /nfs/dbraw/zinc/31/04/94/1006310494.db2.gz XUSPRESCOHSXHB-PQNGQFLHSA-N 2 0 420.601 3.566 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000531656369 1006334757 /nfs/dbraw/zinc/33/47/57/1006334757.db2.gz DDNPQQRXGIYFDM-OAHLLOKOSA-N 2 0 413.463 3.577 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000531721398 1006378417 /nfs/dbraw/zinc/37/84/17/1006378417.db2.gz HXRAGVRWCOWVCK-BPYKYCOYSA-N 2 0 411.590 3.567 20 0 HHADRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735352 1006388469 /nfs/dbraw/zinc/38/84/69/1006388469.db2.gz FOSGAXYUYUSJON-QPXQOZNCSA-N 2 0 400.588 3.897 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448941 1006430469 /nfs/dbraw/zinc/43/04/69/1006430469.db2.gz YILIMHZIGDSINC-BJKOFHAPSA-N 2 0 412.622 3.833 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531860045 1006480949 /nfs/dbraw/zinc/48/09/49/1006480949.db2.gz JNIDBEMXGJSMIM-NHCUHLMSSA-N 2 0 420.601 3.879 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476573 1006489303 /nfs/dbraw/zinc/48/93/03/1006489303.db2.gz LYZZKUZNROPSAQ-PZJWPPBQSA-N 2 0 410.562 3.720 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476570 1006489444 /nfs/dbraw/zinc/48/94/44/1006489444.db2.gz LYZZKUZNROPSAQ-CTNGQTDRSA-N 2 0 410.562 3.720 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000534515829 1006511753 /nfs/dbraw/zinc/51/17/53/1006511753.db2.gz XRSGICXMFZGGOM-HSZRJFAPSA-N 2 0 406.574 3.806 20 0 HHADRP CC(C)[NH+]1CCC(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000531955504 1006544186 /nfs/dbraw/zinc/54/41/86/1006544186.db2.gz PECUEBWBQDBASH-UHFFFAOYSA-N 2 0 411.569 3.510 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532103235 1006637285 /nfs/dbraw/zinc/63/72/85/1006637285.db2.gz QERRGZMUKZWTMP-OAQYLSRUSA-N 2 0 414.619 3.726 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000515756368 1006645399 /nfs/dbraw/zinc/64/53/99/1006645399.db2.gz AOOXJFVFGNHCFT-OALUTQOASA-N 2 0 422.573 3.537 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(F)cc1 ZINC000515756236 1006645666 /nfs/dbraw/zinc/64/56/66/1006645666.db2.gz SGZKBQGKWFQNRF-WOJBJXKFSA-N 2 0 411.565 3.895 20 0 HHADRP COc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388798 1006658084 /nfs/dbraw/zinc/65/80/84/1006658084.db2.gz CHZPQQKFNQBLDH-KBMIEXCESA-N 2 0 421.585 3.905 20 0 HHADRP COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392813 1006662675 /nfs/dbraw/zinc/66/26/75/1006662675.db2.gz OVCQSRVSQPNXCS-KUWBRRTOSA-N 2 0 407.558 3.515 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000532155446 1006679787 /nfs/dbraw/zinc/67/97/87/1006679787.db2.gz WPDMEPQUBKIIMO-HSALFYBXSA-N 2 0 419.585 3.556 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515821631 1006700182 /nfs/dbraw/zinc/70/01/82/1006700182.db2.gz VHFHWZDPULWGFG-SFHVURJKSA-N 2 0 407.002 3.726 20 0 HHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c(C)c1 ZINC000532188768 1006707194 /nfs/dbraw/zinc/70/71/94/1006707194.db2.gz XZVLAHKKFHQLGJ-FPOVZHCZSA-N 2 0 414.619 3.660 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000532206980 1006721024 /nfs/dbraw/zinc/72/10/24/1006721024.db2.gz RYNAALXSFDTZOW-AUSIDOKSSA-N 2 0 421.651 3.647 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000515871996 1006727425 /nfs/dbraw/zinc/72/74/25/1006727425.db2.gz ZRKCQKHGZSBUBX-UHFFFAOYSA-N 2 0 424.564 3.885 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000532330735 1006797590 /nfs/dbraw/zinc/79/75/90/1006797590.db2.gz ISXBRHORVGTSGW-LJQANCHMSA-N 2 0 411.569 3.814 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(N2CCOCC2)c1 ZINC000532358795 1006817149 /nfs/dbraw/zinc/81/71/49/1006817149.db2.gz UNYNAROXFADYAD-UHFFFAOYSA-N 2 0 422.617 3.652 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532517501 1006955141 /nfs/dbraw/zinc/95/51/41/1006955141.db2.gz GSPSCFQTEKTRFR-BKSPAHHJSA-N 2 0 411.590 3.567 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760143 1007043795 /nfs/dbraw/zinc/04/37/95/1007043795.db2.gz UQYWAJWDIHRPCY-FQEVSTJZSA-N 2 0 409.578 3.857 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(-c2ccccc2)cc1OC ZINC000532627260 1007049493 /nfs/dbraw/zinc/04/94/93/1007049493.db2.gz JZCIBAPDGZYTGK-GOTSBHOMSA-N 2 0 410.558 3.838 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000538853657 1007128353 /nfs/dbraw/zinc/12/83/53/1007128353.db2.gz UIYURGXUPYEESX-HXUWFJFHSA-N 2 0 415.626 3.840 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000516565031 1007160114 /nfs/dbraw/zinc/16/01/14/1007160114.db2.gz YCDYHGVJVMSDAV-OAQYLSRUSA-N 2 0 416.610 3.784 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200316 /nfs/dbraw/zinc/20/03/16/1007200316.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 2 0 412.622 3.654 20 0 HHADRP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945155 1007229311 /nfs/dbraw/zinc/22/93/11/1007229311.db2.gz WDIXCFNZSCOPHQ-NRFANRHFSA-N 2 0 408.590 3.676 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516684501 1007230942 /nfs/dbraw/zinc/23/09/42/1007230942.db2.gz FLMUDSDCCDSELJ-ZVDOUQERSA-N 2 0 400.611 3.625 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1)CC1CC1 ZINC000538951815 1007239481 /nfs/dbraw/zinc/23/94/81/1007239481.db2.gz YOZZRLLQBTUDEA-KRWDZBQOSA-N 2 0 418.557 3.696 20 0 HHADRP CC1(C)CC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000532860747 1007249866 /nfs/dbraw/zinc/24/98/66/1007249866.db2.gz BCYIRHIPOAXWGR-UHFFFAOYSA-N 2 0 402.583 3.982 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]CCCC[NH+]3CCN(c4cccc(C)c4)CC3)c(C)n2n1 ZINC000538987246 1007281395 /nfs/dbraw/zinc/28/13/95/1007281395.db2.gz SCCWDFXLTLRFHI-NRFANRHFSA-N 2 0 420.605 3.908 20 0 HHADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882525 1007327489 /nfs/dbraw/zinc/32/74/89/1007327489.db2.gz HWDDBKFYNHQBOH-AQNXPRMDSA-N 2 0 411.512 3.874 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539042748 1007340074 /nfs/dbraw/zinc/34/00/74/1007340074.db2.gz JLOZDTDXJCONSF-AOIWGVFYSA-N 2 0 405.384 3.924 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539065105 1007357512 /nfs/dbraw/zinc/35/75/12/1007357512.db2.gz PCELRPDNFQVVRJ-BULFRSBZSA-N 2 0 402.583 3.635 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539065106 1007357813 /nfs/dbraw/zinc/35/78/13/1007357813.db2.gz PCELRPDNFQVVRJ-HSQYWUDLSA-N 2 0 402.583 3.635 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000539073086 1007364371 /nfs/dbraw/zinc/36/43/71/1007364371.db2.gz YFEKGXGKGOEXFA-OAQYLSRUSA-N 2 0 413.562 3.978 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@H](C)C1 ZINC000539083137 1007372638 /nfs/dbraw/zinc/37/26/38/1007372638.db2.gz WPRMWCZDIBOHQY-JPYJTQIMSA-N 2 0 411.546 3.646 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000535366295 1007424154 /nfs/dbraw/zinc/42/41/54/1007424154.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 2 0 406.574 3.642 20 0 HHADRP Cc1[nH]nc2ncc(C[NH2+]CCc3ccc(OCC[NH+]4C[C@H](C)[C@@H](C)C4)cc3)cc12 ZINC000539223459 1007515731 /nfs/dbraw/zinc/51/57/31/1007515731.db2.gz DKWPOYVLAVBSHD-ROUUACIJSA-N 2 0 407.562 3.565 20 0 HHADRP CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC)cc1 ZINC000539243420 1007536750 /nfs/dbraw/zinc/53/67/50/1007536750.db2.gz MEQNFQSVIOYONJ-JOCHJYFZSA-N 2 0 413.587 3.923 20 0 HHADRP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(C[NH+]5CCCC5)CC4)nc(N)c23)C1 ZINC000533243737 1007563670 /nfs/dbraw/zinc/56/36/70/1007563670.db2.gz KWGFQNLGBQYHHH-INIZCTEOSA-N 2 0 413.635 3.749 20 0 HHADRP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000533248032 1007567132 /nfs/dbraw/zinc/56/71/32/1007567132.db2.gz NPQXPFKZPWYGLH-HSZRJFAPSA-N 2 0 401.595 3.803 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000517332435 1007573269 /nfs/dbraw/zinc/57/32/69/1007573269.db2.gz IRFGCYMSXRSMFL-MZKRTTBSSA-N 2 0 412.622 3.981 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000533271356 1007585898 /nfs/dbraw/zinc/58/58/98/1007585898.db2.gz FPLJMWZHLYUNML-QGZVFWFLSA-N 2 0 402.608 3.695 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539308412 1007606347 /nfs/dbraw/zinc/60/63/47/1007606347.db2.gz HXGIAJUYSIGSCZ-GOTSBHOMSA-N 2 0 400.588 3.861 20 0 HHADRP c1cn(C2CC[NH+](Cc3ccc(C[NH+]4CCC(n5ccnc5)CC4)cc3)CC2)cn1 ZINC000533348152 1007655585 /nfs/dbraw/zinc/65/55/85/1007655585.db2.gz IOULQMIXQGDWBY-UHFFFAOYSA-N 2 0 404.562 3.754 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2)c1 ZINC000539377104 1007682412 /nfs/dbraw/zinc/68/24/12/1007682412.db2.gz LAHZGGCVPVMQHA-ZFGGDYGUSA-N 2 0 420.601 3.717 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517606597 1007809635 /nfs/dbraw/zinc/80/96/35/1007809635.db2.gz DRQRFCUDLPVHEN-NRFANRHFSA-N 2 0 411.512 3.822 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000535839746 1007850402 /nfs/dbraw/zinc/85/04/02/1007850402.db2.gz KDFIURDGZQSFPN-UHFFFAOYSA-N 2 0 421.633 3.889 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517668557 1007882636 /nfs/dbraw/zinc/88/26/36/1007882636.db2.gz RMFLFGLVJJQXFS-OAQYLSRUSA-N 2 0 423.601 3.586 20 0 HHADRP CC(C)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539615474 1007930618 /nfs/dbraw/zinc/93/06/18/1007930618.db2.gz FUNGEHBLXXUMOQ-NHCUHLMSSA-N 2 0 422.976 3.929 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)C1 ZINC000535942100 1007974007 /nfs/dbraw/zinc/97/40/07/1007974007.db2.gz FTTBULVVPPTDIE-RDPSFJRHSA-N 2 0 412.622 3.792 20 0 HHADRP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)nnn1-c1ccccc1 ZINC000539687825 1008007683 /nfs/dbraw/zinc/00/76/83/1008007683.db2.gz FLNHOIDOJVFYCP-QGZVFWFLSA-N 2 0 405.550 3.674 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000517889968 1008032044 /nfs/dbraw/zinc/03/20/44/1008032044.db2.gz HJWFCHXCUZDTMP-FGZHOGPDSA-N 2 0 416.610 3.642 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000518012095 1008102375 /nfs/dbraw/zinc/10/23/75/1008102375.db2.gz NJWFFGQCZMJLMQ-UHFFFAOYSA-N 2 0 421.029 3.973 20 0 HHADRP Cc1cnn([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103413 /nfs/dbraw/zinc/10/34/13/1008103413.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 2 0 404.562 3.590 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536100532 1008124571 /nfs/dbraw/zinc/12/45/71/1008124571.db2.gz VWNHIRNWKMZRRP-LADGPHEKSA-N 2 0 424.589 3.652 20 0 HHADRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000539831462 1008124941 /nfs/dbraw/zinc/12/49/41/1008124941.db2.gz GRXORKCKYFHNCZ-UHFFFAOYSA-N 2 0 404.576 3.878 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518064978 1008139667 /nfs/dbraw/zinc/13/96/67/1008139667.db2.gz SZDLKNYFTHCJII-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893431 1008186955 /nfs/dbraw/zinc/18/69/55/1008186955.db2.gz WMZXCTFGGUXMOZ-FCHUYYIVSA-N 2 0 412.603 3.705 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047012 1008256768 /nfs/dbraw/zinc/25/67/68/1008256768.db2.gz LCDNXPWREHVEKT-WMZHIEFXSA-N 2 0 413.606 3.849 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000518451162 1008312740 /nfs/dbraw/zinc/31/27/40/1008312740.db2.gz OOVIZUKMBTZEOX-PCCBWWKXSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160783 1008316424 /nfs/dbraw/zinc/31/64/24/1008316424.db2.gz KYGCSIKEGVXMBJ-BTYIYWSLSA-N 2 0 419.928 3.876 20 0 HHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000540169081 1008320341 /nfs/dbraw/zinc/32/03/41/1008320341.db2.gz JVEXGFNJXSDNFX-DEOSSOPVSA-N 2 0 407.558 3.688 20 0 HHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000540170743 1008320757 /nfs/dbraw/zinc/32/07/57/1008320757.db2.gz VJVKMUDQIKJADL-MRXNPFEDSA-N 2 0 400.592 3.690 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000540172776 1008322293 /nfs/dbraw/zinc/32/22/93/1008322293.db2.gz UXTKMEHOKLKASN-RDGATRHJSA-N 2 0 421.585 3.770 20 0 HHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000540180216 1008325452 /nfs/dbraw/zinc/32/54/52/1008325452.db2.gz BXQNMQNIGPBPID-OXJNMPFZSA-N 2 0 422.411 3.812 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000540184252 1008326511 /nfs/dbraw/zinc/32/65/11/1008326511.db2.gz YMGGGYFWSLLJKZ-AUSIDOKSSA-N 2 0 402.579 3.804 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612974 1008365475 /nfs/dbraw/zinc/36/54/75/1008365475.db2.gz OBEPLZXDIOUAAE-WOJBJXKFSA-N 2 0 404.624 3.791 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540300065 1008372436 /nfs/dbraw/zinc/37/24/36/1008372436.db2.gz XDPOVLKYKPKNFK-HXUWFJFHSA-N 2 0 415.379 3.837 20 0 HHADRP CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000540325889 1008380870 /nfs/dbraw/zinc/38/08/70/1008380870.db2.gz IRTBKKJHPFQETJ-LJQANCHMSA-N 2 0 411.546 3.595 20 0 HHADRP COC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000540405630 1008418985 /nfs/dbraw/zinc/41/89/85/1008418985.db2.gz CSLIHPZCDXRICR-XZOQPEGZSA-N 2 0 403.517 3.621 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)NCCC2=CCCCC2)CC1 ZINC000540410249 1008421647 /nfs/dbraw/zinc/42/16/47/1008421647.db2.gz LYLZCSICAJGGOZ-IBGZPJMESA-N 2 0 416.585 3.625 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000518835808 1008439681 /nfs/dbraw/zinc/43/96/81/1008439681.db2.gz NCRBPJNONLGJGW-PCCBWWKXSA-N 2 0 404.986 3.621 20 0 HHADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461401 1008441003 /nfs/dbraw/zinc/44/10/03/1008441003.db2.gz OOVXGDJLSXWVIN-DHIUTWEWSA-N 2 0 415.622 3.701 20 0 HHADRP COc1cccc(N2CC[C@@H]([NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)c1 ZINC000540474987 1008446068 /nfs/dbraw/zinc/44/60/68/1008446068.db2.gz IYHOZIWKAAERQK-XXBNENTESA-N 2 0 407.558 3.852 20 0 HHADRP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)c1 ZINC000540474986 1008446205 /nfs/dbraw/zinc/44/62/05/1008446205.db2.gz IYHOZIWKAAERQK-WMZHIEFXSA-N 2 0 407.558 3.852 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012092 1008500738 /nfs/dbraw/zinc/50/07/38/1008500738.db2.gz OPOLGMPKKLPKDQ-JIMJEQGWSA-N 3 0 412.666 3.540 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000519012094 1008500869 /nfs/dbraw/zinc/50/08/69/1008500869.db2.gz OPOLGMPKKLPKDQ-TWJOJJKGSA-N 3 0 412.666 3.540 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000543019180 1008597094 /nfs/dbraw/zinc/59/70/94/1008597094.db2.gz VKJNEGSJHLGFLD-UHFFFAOYSA-N 2 0 415.626 3.590 20 0 HHADRP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000545593072 1008692979 /nfs/dbraw/zinc/69/29/79/1008692979.db2.gz GYINRRGNTSAKEX-AVRDEDQJSA-N 2 0 400.538 3.759 20 0 HHADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164575 1008735591 /nfs/dbraw/zinc/73/55/91/1008735591.db2.gz ICQLCCQGZPKXQF-GBXCKJPGSA-N 2 0 407.558 3.798 20 0 HHADRP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762271 /nfs/dbraw/zinc/76/22/71/1008762271.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 2 0 409.549 3.819 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000549209381 1008780661 /nfs/dbraw/zinc/78/06/61/1008780661.db2.gz MIEMJSTVYNLXSR-XZOQPEGZSA-N 2 0 412.622 3.947 20 0 HHADRP C[N@H+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)NC[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1)C2 ZINC000549231552 1008801417 /nfs/dbraw/zinc/80/14/17/1008801417.db2.gz JGSUFJNDAADWSM-FJXZYEQHSA-N 2 0 419.013 3.895 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000543395705 1008985726 /nfs/dbraw/zinc/98/57/26/1008985726.db2.gz QYNRMZAQEMSWIL-UHFFFAOYSA-N 2 0 401.308 3.849 20 0 HHADRP CCC[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000543445911 1009031354 /nfs/dbraw/zinc/03/13/54/1009031354.db2.gz KZSWSMMBPAYQHO-UHFFFAOYSA-N 2 0 405.178 3.818 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000519935698 1009089483 /nfs/dbraw/zinc/08/94/83/1009089483.db2.gz GYAVUYQFIOKNMB-HSZRJFAPSA-N 2 0 400.611 3.895 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000549584417 1009210301 /nfs/dbraw/zinc/21/03/01/1009210301.db2.gz LOPLMEHEDHDECC-HSZRJFAPSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCC(C)C ZINC000543618044 1009223513 /nfs/dbraw/zinc/22/35/13/1009223513.db2.gz KAJIATUWRXGKBI-UHFFFAOYSA-N 2 0 403.611 3.580 20 0 HHADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000543764322 1009334528 /nfs/dbraw/zinc/33/45/28/1009334528.db2.gz XAAQUAHTMBRZQC-UDJZJCJKSA-N 2 0 402.579 3.633 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000520205961 1009340190 /nfs/dbraw/zinc/34/01/90/1009340190.db2.gz KYGCNYBLZVKFSC-OYRHEFFESA-N 2 0 401.595 3.536 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775789 1009344573 /nfs/dbraw/zinc/34/45/73/1009344573.db2.gz UQUWQCOJDRTOCN-OXJNMPFZSA-N 2 0 419.338 3.932 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000520215330 1009346372 /nfs/dbraw/zinc/34/63/72/1009346372.db2.gz BVWZCDLNUPQPLG-FQEVSTJZSA-N 2 0 407.002 3.993 20 0 HHADRP COc1ccc([C@H]([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000549903048 1009523645 /nfs/dbraw/zinc/52/36/45/1009523645.db2.gz CNPYJBTUTGZGLB-AREMUKBSSA-N 2 0 421.585 3.825 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000520406090 1009536636 /nfs/dbraw/zinc/53/66/36/1009536636.db2.gz ZMGJJCSPYSMWTN-PMACEKPBSA-N 2 0 406.590 3.657 20 0 HHADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[C@H](C)C1 ZINC000543944957 1009538957 /nfs/dbraw/zinc/53/89/57/1009538957.db2.gz WPBVQOCNWOXTEM-UMXIMWEHSA-N 2 0 401.639 3.842 20 0 HHADRP Cc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000543944955 1009539057 /nfs/dbraw/zinc/53/90/57/1009539057.db2.gz WPBVQOCNWOXTEM-NMVJMZGASA-N 2 0 401.639 3.842 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000546619131 1009632011 /nfs/dbraw/zinc/63/20/11/1009632011.db2.gz IJLMDCGNTIESMK-NHCUHLMSSA-N 2 0 415.622 3.672 20 0 HHADRP C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000544041467 1009643925 /nfs/dbraw/zinc/64/39/25/1009643925.db2.gz NCZUXFBBXUZSGW-IVDHNXQLSA-N 2 0 414.594 3.548 20 0 HHADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+]1CCCCC1 ZINC000520709432 1009776480 /nfs/dbraw/zinc/77/64/80/1009776480.db2.gz OBEPCCWWUDSNOO-IBGZPJMESA-N 2 0 421.029 3.973 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@@H](C)O1 ZINC000544173216 1009777869 /nfs/dbraw/zinc/77/78/69/1009777869.db2.gz KAEVOUASIWJZMD-HUUCEWRRSA-N 2 0 412.365 3.553 20 0 HHADRP CC[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000550280387 1009828211 /nfs/dbraw/zinc/82/82/11/1009828211.db2.gz LLBPXIWFMJNNKX-IMSXRSKXSA-N 2 0 415.622 3.635 20 0 HHADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000520926087 1009980289 /nfs/dbraw/zinc/98/02/89/1009980289.db2.gz MPLHVWHGLHHWAD-HSZRJFAPSA-N 2 0 414.594 3.950 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000520993927 1010032789 /nfs/dbraw/zinc/03/27/89/1010032789.db2.gz DEFUJASJVDLRKI-TZIWHRDSSA-N 2 0 401.526 3.830 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4sc(Br)cc43)cn2)CC1 ZINC000550624324 1010070960 /nfs/dbraw/zinc/07/09/60/1010070960.db2.gz PBSKXEBEUKZHFJ-MRXNPFEDSA-N 2 0 421.408 3.825 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000521060835 1010080637 /nfs/dbraw/zinc/08/06/37/1010080637.db2.gz HRCOTDBOSLWJSP-FQEVSTJZSA-N 2 0 418.582 3.798 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000521061070 1010080809 /nfs/dbraw/zinc/08/08/09/1010080809.db2.gz OBXJSJRBJCHWRJ-UHFFFAOYSA-N 2 0 414.516 3.655 20 0 HHADRP COCC[NH+]1CCC(Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC1 ZINC000547312541 1010248594 /nfs/dbraw/zinc/24/85/94/1010248594.db2.gz LSOBQKNYCONHMX-UHFFFAOYSA-N 2 0 422.617 3.574 20 0 HHADRP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000551130103 1010390901 /nfs/dbraw/zinc/39/09/01/1010390901.db2.gz RZLGOGZSZDXCSZ-ZEQRLZLVSA-N 2 0 406.574 3.631 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544818819 1010411635 /nfs/dbraw/zinc/41/16/35/1010411635.db2.gz YBJCKCRTADDWOO-QFIPXVFZSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828486 1010441333 /nfs/dbraw/zinc/44/13/33/1010441333.db2.gz LKSHPDJWVHURAI-ZWSUVBHBSA-N 2 0 411.565 3.699 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671259 1010538933 /nfs/dbraw/zinc/53/89/33/1010538933.db2.gz GSKQKSVBJIWVNL-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@@H+](C)C(C)C)CC3)ncn2)CC1 ZINC000548445495 1010630131 /nfs/dbraw/zinc/63/01/31/1010630131.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 2 0 416.658 3.590 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482138 1010641186 /nfs/dbraw/zinc/64/11/86/1010641186.db2.gz XNJIGGCYZHDQJZ-XUZZJYLKSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483053 1010641861 /nfs/dbraw/zinc/64/18/61/1010641861.db2.gz QWSHSUZUJOENSG-IFMALSPDSA-N 2 0 407.606 3.935 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551704343 1010749396 /nfs/dbraw/zinc/74/93/96/1010749396.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 2 0 422.617 3.911 20 0 HHADRP FC(F)(F)c1ccc(-n2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000522035356 1010768700 /nfs/dbraw/zinc/76/87/00/1010768700.db2.gz PZCJCRATOXFNER-UHFFFAOYSA-N 2 0 422.495 3.968 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000522079363 1010796660 /nfs/dbraw/zinc/79/66/60/1010796660.db2.gz YMHOGMMMLQYTTE-LJQANCHMSA-N 2 0 418.601 3.990 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000522307785 1010920533 /nfs/dbraw/zinc/92/05/33/1010920533.db2.gz HDMHWRQFEAPHCX-UHFFFAOYSA-N 2 0 408.590 3.517 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000522308077 1010921198 /nfs/dbraw/zinc/92/11/98/1010921198.db2.gz XGFPYHPEINCUDD-OAQYLSRUSA-N 2 0 414.619 3.967 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522596926 1011100483 /nfs/dbraw/zinc/10/04/83/1011100483.db2.gz OCCLRVSWOMYAHR-MHTWAQMVSA-N 2 0 400.611 3.878 20 0 HHADRP CN(Cc1csc2ccccc12)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522726627 1011179965 /nfs/dbraw/zinc/17/99/65/1011179965.db2.gz YAOCCBOXDQJJIV-UHFFFAOYSA-N 2 0 423.586 3.650 20 0 HHADRP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)oc21 ZINC000540593517 1011250512 /nfs/dbraw/zinc/25/05/12/1011250512.db2.gz HWNNQYCMZWBBAJ-QGZVFWFLSA-N 2 0 409.530 3.974 20 0 HHADRP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231959 1011380760 /nfs/dbraw/zinc/38/07/60/1011380760.db2.gz IWUBAAPWKCYTJR-DNQXCXABSA-N 2 0 406.574 3.738 20 0 HHADRP O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523008178 1011464603 /nfs/dbraw/zinc/46/46/03/1011464603.db2.gz KDJYZCVWHNKTLS-HSZRJFAPSA-N 2 0 409.549 3.602 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000540914108 1011582600 /nfs/dbraw/zinc/58/26/00/1011582600.db2.gz SOYWJLKUEYBTFN-HFZDXXHNSA-N 2 0 402.586 3.912 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000541033230 1011666853 /nfs/dbraw/zinc/66/68/53/1011666853.db2.gz VIIDVUCEDHDRDM-FYYLOGMGSA-N 2 0 416.610 3.929 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536460774 1011681118 /nfs/dbraw/zinc/68/11/18/1011681118.db2.gz YIOCYMZMINURDP-YLJYHZDGSA-N 2 0 410.965 3.503 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000536483127 1011695568 /nfs/dbraw/zinc/69/55/68/1011695568.db2.gz UABWXOBFLRDWHO-SFHVURJKSA-N 2 0 412.553 3.912 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220153 1011708940 /nfs/dbraw/zinc/70/89/40/1011708940.db2.gz CKMKBWOSAQRJFH-HJNYFJLDSA-N 2 0 410.562 3.860 20 0 HHADRP C[C@@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(C)(C)C[NH+](C)C ZINC000536521435 1011713805 /nfs/dbraw/zinc/71/38/05/1011713805.db2.gz MWTFLOYWCUAFBO-HXUWFJFHSA-N 2 0 400.611 3.660 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000536590477 1011752777 /nfs/dbraw/zinc/75/27/77/1011752777.db2.gz HAGKWATXKQMTKP-UHFFFAOYSA-N 2 0 415.626 3.984 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523340136 1011818121 /nfs/dbraw/zinc/81/81/21/1011818121.db2.gz HMQKRUOWPCXOSJ-DEOSSOPVSA-N 2 0 408.590 3.664 20 0 HHADRP COCCCOc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000536710902 1011883605 /nfs/dbraw/zinc/88/36/05/1011883605.db2.gz UMSKWCLHYHJLKY-OYRHEFFESA-N 2 0 404.595 3.813 20 0 HHADRP COCCCOc1cccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000536710904 1011884212 /nfs/dbraw/zinc/88/42/12/1011884212.db2.gz UMSKWCLHYHJLKY-SFTDATJTSA-N 2 0 404.595 3.813 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536770385 1011973266 /nfs/dbraw/zinc/97/32/66/1011973266.db2.gz CZYIKMOBYJKCIO-UNMCSNQZSA-N 2 0 413.610 3.594 20 0 HHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536829469 1012058423 /nfs/dbraw/zinc/05/84/23/1012058423.db2.gz YISVMYODMJSXIK-KPQWGBOZSA-N 2 0 419.635 3.920 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000536828898 1012058479 /nfs/dbraw/zinc/05/84/79/1012058479.db2.gz SOAZDKYLLOCDQP-ZJOUEHCJSA-N 2 0 415.603 3.546 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536830950 1012060666 /nfs/dbraw/zinc/06/06/66/1012060666.db2.gz FRPKHQBBBBNCLC-VQTJNVASSA-N 2 0 409.640 3.736 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552045265 1012063884 /nfs/dbraw/zinc/06/38/84/1012063884.db2.gz AZLQRFZRKLLQEB-URBBEOKESA-N 3 0 412.666 3.540 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552045264 1012064718 /nfs/dbraw/zinc/06/47/18/1012064718.db2.gz AZLQRFZRKLLQEB-HMNRDNJPSA-N 3 0 412.666 3.540 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835145 1012065436 /nfs/dbraw/zinc/06/54/36/1012065436.db2.gz VZPWTNMSGRUYRR-RTWAWAEBSA-N 2 0 421.651 3.880 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000541383988 1012104572 /nfs/dbraw/zinc/10/45/72/1012104572.db2.gz PMVDIQUFNRRNCO-KRWDZBQOSA-N 2 0 404.436 3.535 20 0 HHADRP C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523656348 1012249464 /nfs/dbraw/zinc/24/94/64/1012249464.db2.gz LTQZANGWCHNCQO-GOSISDBHSA-N 2 0 415.969 3.650 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000552255857 1012266411 /nfs/dbraw/zinc/26/64/11/1012266411.db2.gz XNJDYMKQOJNCCU-KMDXXIMOSA-N 2 0 423.580 3.510 20 0 HHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552275169 1012289044 /nfs/dbraw/zinc/28/90/44/1012289044.db2.gz NBEJUNJHHFQMIJ-GOSISDBHSA-N 2 0 415.528 3.901 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1nc2ccccc2n1C ZINC000537000509 1012301966 /nfs/dbraw/zinc/30/19/66/1012301966.db2.gz HXSLSLCFHXINLJ-LJQANCHMSA-N 2 0 422.573 3.914 20 0 HHADRP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522684 1012304624 /nfs/dbraw/zinc/30/46/24/1012304624.db2.gz XJXATAOCXPQTDA-DHLKQENFSA-N 2 0 412.622 3.949 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000541537636 1012321588 /nfs/dbraw/zinc/32/15/88/1012321588.db2.gz XRLMVQIWXOLPHP-UHFFFAOYSA-N 3 0 418.589 3.576 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C[C@H]1C ZINC000537021595 1012327958 /nfs/dbraw/zinc/32/79/58/1012327958.db2.gz DSOOVSJWRQZQDW-BGYRXZFFSA-N 2 0 419.573 3.771 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000523773259 1012413421 /nfs/dbraw/zinc/41/34/21/1012413421.db2.gz NPYGWZKCDMOPLP-YADHBBJMSA-N 2 0 422.658 3.611 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@@H]1c1ccccc1 ZINC000552403567 1012416150 /nfs/dbraw/zinc/41/61/50/1012416150.db2.gz JTYAVWIIIOIGLQ-FSSWDIPSSA-N 2 0 413.512 3.705 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000537108123 1012478642 /nfs/dbraw/zinc/47/86/42/1012478642.db2.gz CXAJZPLFEQNWGM-INIZCTEOSA-N 2 0 417.500 3.744 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000537108959 1012481850 /nfs/dbraw/zinc/48/18/50/1012481850.db2.gz RLSJROFRMJCSQP-RBUKOAKNSA-N 2 0 412.553 3.954 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000523907289 1012623809 /nfs/dbraw/zinc/62/38/09/1012623809.db2.gz XKGBSMXCCZNPFQ-MBSDFSHPSA-N 2 0 412.553 3.953 20 0 HHADRP c1nc([C@H]2CCCO2)sc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000537225864 1012655018 /nfs/dbraw/zinc/65/50/18/1012655018.db2.gz SEKJVJUOWYDXDE-JOCHJYFZSA-N 2 0 414.619 3.682 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000541915099 1012773256 /nfs/dbraw/zinc/77/32/56/1012773256.db2.gz XWFBRGLJNOWAJK-MBSDFSHPSA-N 2 0 410.562 3.634 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915589 1012773848 /nfs/dbraw/zinc/77/38/48/1012773848.db2.gz RTAIOKZIVIBDEI-YYGZZXRFSA-N 3 0 419.613 3.644 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000524156081 1012946480 /nfs/dbraw/zinc/94/64/80/1012946480.db2.gz HSVDDMKWQTWTKZ-MRXNPFEDSA-N 2 0 410.400 3.679 20 0 HHADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000524155913 1012947155 /nfs/dbraw/zinc/94/71/55/1012947155.db2.gz QCAQRYRDTVRKKB-HXUWFJFHSA-N 2 0 409.574 3.544 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000542079016 1013000725 /nfs/dbraw/zinc/00/07/25/1013000725.db2.gz IMTPWDXGOKPBJX-NRFANRHFSA-N 2 0 404.599 3.960 20 0 HHADRP Cc1c2cccc(Br)c2oc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000542079523 1013001232 /nfs/dbraw/zinc/00/12/32/1013001232.db2.gz JISMNVUXEKZNNT-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266287 1071830626 /nfs/dbraw/zinc/83/06/26/1071830626.db2.gz DICARIGBNRFAEE-RPWUZVMVSA-N 2 0 421.585 3.561 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271720 1072043886 /nfs/dbraw/zinc/04/38/86/1072043886.db2.gz IFTJNDKNSWIXAP-NHCUHLMSSA-N 2 0 412.599 3.979 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)C1 ZINC000487816609 1072063663 /nfs/dbraw/zinc/06/36/63/1072063663.db2.gz DMKXIGPEUFYZCC-SVMVAKDDSA-N 2 0 419.013 3.676 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@H](C)C[C@@H]3n3cncn3)CC2)c1 ZINC000570189691 1072197009 /nfs/dbraw/zinc/19/70/09/1072197009.db2.gz HHKDCRVXVTXAHV-QTJGBDASSA-N 2 0 410.610 3.508 20 0 HHADRP CC(C)[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000913207653 1072348402 /nfs/dbraw/zinc/34/84/02/1072348402.db2.gz JHWFNKKKFNAGOR-UHFFFAOYSA-N 2 0 406.574 3.820 20 0 HHADRP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000760488038 1072388933 /nfs/dbraw/zinc/38/89/33/1072388933.db2.gz WHFBUOPAZWCFPS-FQEVSTJZSA-N 2 0 409.043 3.500 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=S)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000760493145 1072398744 /nfs/dbraw/zinc/39/87/44/1072398744.db2.gz YQJPLRFVMOBQOA-UHFFFAOYSA-N 2 0 424.658 3.837 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC2(c3cccnc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168305332 1072475310 /nfs/dbraw/zinc/47/53/10/1072475310.db2.gz IESRTUWPIVOAHN-UHFFFAOYSA-N 2 0 416.610 3.813 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(c3nc4ccc(Br)cn4n3)CC2)CC1 ZINC001168318548 1072497146 /nfs/dbraw/zinc/49/71/46/1072497146.db2.gz BBQBQXKLGBYJBD-UHFFFAOYSA-N 2 0 406.372 3.544 20 0 HHADRP Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323446 1072504771 /nfs/dbraw/zinc/50/47/71/1072504771.db2.gz ZMZZMGOOKIZCNK-STTLMXHVSA-N 2 0 401.595 3.651 20 0 HHADRP CNC(=O)N[C@H]1CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2cc(C)ccc21 ZINC001168379623 1072684262 /nfs/dbraw/zinc/68/42/62/1072684262.db2.gz MUWZYTQDJCJCJQ-QHCPKHFHSA-N 2 0 410.606 3.577 20 0 HHADRP Cc1ccc2c(ccc(C)c2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001626002265 1072709219 /nfs/dbraw/zinc/70/92/19/1072709219.db2.gz BDVUSQXVWDDNRY-UHFFFAOYSA-N 2 0 402.542 3.794 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000554922548 1072969861 /nfs/dbraw/zinc/96/98/61/1072969861.db2.gz HREKZHACEGHIPV-UHFFFAOYSA-N 2 0 405.546 3.649 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000555153014 1073205790 /nfs/dbraw/zinc/20/57/90/1073205790.db2.gz JKYHEAVWNWBJQZ-XZOQPEGZSA-N 2 0 400.611 3.566 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600028438 1073407765 /nfs/dbraw/zinc/40/77/65/1073407765.db2.gz MJPDMKPQSFZFOB-NRFANRHFSA-N 2 0 420.601 3.505 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060532 1073535480 /nfs/dbraw/zinc/53/54/80/1073535480.db2.gz IXCFDMNOYMJCJV-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060531 1073535564 /nfs/dbraw/zinc/53/55/64/1073535564.db2.gz IXCFDMNOYMJCJV-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060567 1073535611 /nfs/dbraw/zinc/53/56/11/1073535611.db2.gz RRKGXVUEQVTADZ-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000590123215 1073570625 /nfs/dbraw/zinc/57/06/25/1073570625.db2.gz WRRRABVMGHOCBT-DLBZAZTESA-N 2 0 400.394 3.829 20 0 HHADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000590125943 1073572095 /nfs/dbraw/zinc/57/20/95/1073572095.db2.gz XERHQEOZXLCHDA-HSZRJFAPSA-N 2 0 418.528 3.705 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000590147288 1073588651 /nfs/dbraw/zinc/58/86/51/1073588651.db2.gz OCRYFKOSCQQHJY-PMACEKPBSA-N 2 0 400.592 3.877 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000590147299 1073589269 /nfs/dbraw/zinc/58/92/69/1073589269.db2.gz OCRYFKOSCQQHJY-WOJBJXKFSA-N 2 0 400.592 3.877 20 0 HHADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000555614881 1073667716 /nfs/dbraw/zinc/66/77/16/1073667716.db2.gz UNTBPTKHKVLGSL-DEOSSOPVSA-N 2 0 422.617 3.945 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)NC3CC[NH+](C(C)(C)C)CC3)c2)CC1 ZINC000590305006 1073739659 /nfs/dbraw/zinc/73/96/59/1073739659.db2.gz VUGOKESPBYGVGY-UHFFFAOYSA-N 2 0 400.611 3.981 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)c2)CC1 ZINC000590306119 1073740867 /nfs/dbraw/zinc/74/08/67/1073740867.db2.gz CNPPUNLYOYCTTF-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000591076402 1074099209 /nfs/dbraw/zinc/09/92/09/1074099209.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 2 0 409.574 3.802 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000591375835 1074273070 /nfs/dbraw/zinc/27/30/70/1074273070.db2.gz JWWIBCACWUBLBB-UHFFFAOYSA-N 2 0 409.549 3.884 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419207 1074283496 /nfs/dbraw/zinc/28/34/96/1074283496.db2.gz GGLBYSMPKYLKAS-GMAHTHKFSA-N 2 0 421.585 3.944 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000573248579 1074323523 /nfs/dbraw/zinc/32/35/23/1074323523.db2.gz YUNLGCABAKJMAU-HNNXBMFYSA-N 2 0 404.440 3.708 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000591558071 1074405811 /nfs/dbraw/zinc/40/58/11/1074405811.db2.gz WEMPIKXZERQVRG-DHIUTWEWSA-N 2 0 400.611 3.599 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591558132 1074406423 /nfs/dbraw/zinc/40/64/23/1074406423.db2.gz FCSPTOFWGOBEAF-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000591656076 1074456145 /nfs/dbraw/zinc/45/61/45/1074456145.db2.gz HSQFEEWIFMHETD-PKTZIBPZSA-N 2 0 414.594 3.514 20 0 HHADRP CC(C)[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000593499618 1075204364 /nfs/dbraw/zinc/20/43/64/1075204364.db2.gz CDUUEFBABROLQO-JOCHJYFZSA-N 2 0 404.599 3.895 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000593501222 1075205515 /nfs/dbraw/zinc/20/55/15/1075205515.db2.gz XWTGLPKPRQEBRO-QHCPKHFHSA-N 2 0 410.562 3.976 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000575085532 1075472935 /nfs/dbraw/zinc/47/29/35/1075472935.db2.gz PROQYXZLQQGDOT-JOCHJYFZSA-N 2 0 414.981 3.637 20 0 HHADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691064 719802778 /nfs/dbraw/zinc/80/27/78/719802778.db2.gz DPEHOHCLQPOKSA-UHFFFAOYSA-N 2 0 400.596 3.641 20 0 HHADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCCC4)cc(C)[nH+]2)CC3)cs1 ZINC001164692863 719802935 /nfs/dbraw/zinc/80/29/35/719802935.db2.gz QESLZZUCTADCAV-UHFFFAOYSA-N 2 0 412.607 3.785 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819027 720195513 /nfs/dbraw/zinc/19/55/13/720195513.db2.gz VNHXYIDAFZOGEQ-OYRHQHFDSA-N 2 0 412.622 3.813 20 0 HHADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4[nH]ccc4c(C)[nH+]3)C2)C1 ZINC001164780781 721362875 /nfs/dbraw/zinc/36/28/75/721362875.db2.gz HIPXLEGWNYAEBJ-QHCPKHFHSA-N 2 0 409.534 3.595 20 0 HHADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164784933 721461464 /nfs/dbraw/zinc/46/14/64/721461464.db2.gz KVBICUUDTRLLMS-OAQYLSRUSA-N 2 0 417.594 3.603 20 0 HHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)c2)CC1 ZINC001164796255 721507531 /nfs/dbraw/zinc/50/75/31/721507531.db2.gz QQCHXSWVQMMCRR-YADARESESA-N 2 0 408.546 3.635 20 0 HHADRP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019580 721802297 /nfs/dbraw/zinc/80/22/97/721802297.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 2 0 406.578 3.517 20 0 HHADRP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]21 ZINC001165020640 721826230 /nfs/dbraw/zinc/82/62/30/721826230.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 2 0 405.590 3.808 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000301532987 970969285 /nfs/dbraw/zinc/96/92/85/970969285.db2.gz ICLSWYBDEUVPAT-MRXNPFEDSA-N 2 0 404.352 3.773 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303179530 971545002 /nfs/dbraw/zinc/54/50/02/971545002.db2.gz KBKDWBOHDUKYDN-LEWJYISDSA-N 2 0 402.583 3.714 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)c2)CC1 ZINC000303204982 971559558 /nfs/dbraw/zinc/55/95/58/971559558.db2.gz PGAKOAQHBGXTPR-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000524288395 1013095913 /nfs/dbraw/zinc/09/59/13/1013095913.db2.gz ADAMEZSAHYNWID-QHCPKHFHSA-N 2 0 406.574 3.795 20 0 HHADRP CCN1CCN(C(=O)CC2CC[NH+](CCCOc3cccc4ccccc43)CC2)CC1 ZINC000303349831 971649168 /nfs/dbraw/zinc/64/91/68/971649168.db2.gz NJQCCWGGZNREAC-UHFFFAOYSA-N 2 0 423.601 3.875 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000303820070 972051862 /nfs/dbraw/zinc/05/18/62/972051862.db2.gz JVZLYCKTTIWNMH-CALCHBBNSA-N 2 0 418.969 3.754 20 0 HHADRP Cc1cc(OCC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1C(C)C ZINC000303855670 972395688 /nfs/dbraw/zinc/39/56/88/972395688.db2.gz FMAKPDSKQYWMKI-UHFFFAOYSA-N 2 0 417.638 3.913 20 0 HHADRP CC(C)[NH+]1CCC(N2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000537662021 1013223297 /nfs/dbraw/zinc/22/32/97/1013223297.db2.gz ZVWSPYARLPJGQQ-UHFFFAOYSA-N 2 0 400.655 3.635 20 0 HHADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000553308097 1013262203 /nfs/dbraw/zinc/26/22/03/1013262203.db2.gz FIKRZUQCQRBQTE-UHFFFAOYSA-N 2 0 412.622 3.807 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015404493 962749001 /nfs/dbraw/zinc/74/90/01/962749001.db2.gz BGOKDGHCTQHKDC-OAQYLSRUSA-N 2 0 406.574 3.822 20 0 HHADRP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH+]1CCCCC1 ZINC000542464033 1013412022 /nfs/dbraw/zinc/41/20/22/1013412022.db2.gz WDZJLNZLDWUIJU-ZWKOTPCHSA-N 2 0 400.567 3.606 20 0 HHADRP C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845748 1013409519 /nfs/dbraw/zinc/40/95/19/1013409519.db2.gz MQNXDKRPRHHRCB-LEWJYISDSA-N 2 0 408.590 3.928 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465710 1013413425 /nfs/dbraw/zinc/41/34/25/1013413425.db2.gz KEELVYQGNVIRQA-HXUWFJFHSA-N 2 0 415.497 3.716 20 0 HHADRP C[C@H](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1 ZINC000537855480 1013424692 /nfs/dbraw/zinc/42/46/92/1013424692.db2.gz ALNFXMUDKLCCKD-IBGZPJMESA-N 2 0 414.981 3.632 20 0 HHADRP C[NH+]1CCN(Cc2cccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000542502543 1013447019 /nfs/dbraw/zinc/44/70/19/1013447019.db2.gz LGMOUNUNXWGJMC-UHFFFAOYSA-N 2 0 420.601 3.675 20 0 HHADRP CCC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000553555723 1013452995 /nfs/dbraw/zinc/45/29/95/1013452995.db2.gz AVTWULYFWLKBQE-DHIUTWEWSA-N 2 0 415.647 3.717 20 0 HHADRP c1csc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000048745827 964049870 /nfs/dbraw/zinc/04/98/70/964049870.db2.gz AHGSLYOPONNWGH-UHFFFAOYSA-N 2 0 409.603 3.826 20 0 HHADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000048816570 964064444 /nfs/dbraw/zinc/06/44/44/964064444.db2.gz AGIOIUBBUNKCBB-QZTJIDSGSA-N 2 0 414.546 3.611 20 0 HHADRP C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681501 1013542722 /nfs/dbraw/zinc/54/27/22/1013542722.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 2 0 412.578 3.654 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000537969920 1013546813 /nfs/dbraw/zinc/54/68/13/1013546813.db2.gz XTEAHAAFJALPAK-LJQANCHMSA-N 2 0 403.979 3.958 20 0 HHADRP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000053436043 965170443 /nfs/dbraw/zinc/17/04/43/965170443.db2.gz IQSJQXBZMFBLKE-UHFFFAOYSA-N 2 0 406.574 3.822 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537977188 1013552945 /nfs/dbraw/zinc/55/29/45/1013552945.db2.gz XIUTWSFMADKOPM-UZLBHIALSA-N 2 0 401.938 3.737 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000029694591 965461595 /nfs/dbraw/zinc/46/15/95/965461595.db2.gz NGYCPRMYHRAFAQ-SFHVURJKSA-N 2 0 408.546 3.748 20 0 HHADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000553743454 1013583709 /nfs/dbraw/zinc/58/37/09/1013583709.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 2 0 401.526 3.611 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000054509608 965548966 /nfs/dbraw/zinc/54/89/66/965548966.db2.gz YULHDHHDGUWEPY-OAQYLSRUSA-N 2 0 408.590 3.946 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)([NH+](C)C)C1 ZINC000057849103 965562160 /nfs/dbraw/zinc/56/21/60/965562160.db2.gz LQARXBHCAAPADI-MBSDFSHPSA-N 2 0 404.574 3.600 20 0 HHADRP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000030631269 965749961 /nfs/dbraw/zinc/74/99/61/965749961.db2.gz XTKFXUOYKBYBHO-UHFFFAOYSA-N 2 0 406.530 3.600 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000030919131 965833233 /nfs/dbraw/zinc/83/32/33/965833233.db2.gz MZPVAJPHYBRURK-UHFFFAOYSA-N 2 0 421.564 3.796 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000542712714 1013625325 /nfs/dbraw/zinc/62/53/25/1013625325.db2.gz MITNESBXMNLKML-NFBKMPQASA-N 2 0 400.611 3.831 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000060381456 966123329 /nfs/dbraw/zinc/12/33/29/966123329.db2.gz KQFNKXDLNOQYEO-HXUWFJFHSA-N 2 0 409.574 3.544 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058509 1013635016 /nfs/dbraw/zinc/63/50/16/1013635016.db2.gz CGGALXKGTOACJL-GOSISDBHSA-N 2 0 423.582 3.913 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062693 1013639106 /nfs/dbraw/zinc/63/91/06/1013639106.db2.gz UPVOIIYUJYXHGM-JOCHJYFZSA-N 2 0 414.391 3.974 20 0 HHADRP C[N@H+](CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000061022460 966353259 /nfs/dbraw/zinc/35/32/59/966353259.db2.gz RTHVRYGLMMJNRC-UHFFFAOYSA-N 2 0 414.619 3.781 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061521683 966487869 /nfs/dbraw/zinc/48/78/69/966487869.db2.gz HHAQSUGPQYOTJF-DEOSSOPVSA-N 2 0 406.574 3.746 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000056846251 966490773 /nfs/dbraw/zinc/49/07/73/966490773.db2.gz ZITIENQTILXLOC-HXUWFJFHSA-N 2 0 400.611 3.792 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061553325 966499328 /nfs/dbraw/zinc/49/93/28/966499328.db2.gz AZNNSHLZDVODQH-DEOSSOPVSA-N 2 0 406.574 3.746 20 0 HHADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000061596617 966510489 /nfs/dbraw/zinc/51/04/89/966510489.db2.gz QIAKOYFICRGMCK-UHFFFAOYSA-N 2 0 413.587 3.737 20 0 HHADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000542754939 1013662075 /nfs/dbraw/zinc/66/20/75/1013662075.db2.gz IXIYLYACTNMSOA-IEBWSBKVSA-N 2 0 414.516 3.681 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000061869002 966568683 /nfs/dbraw/zinc/56/86/83/966568683.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 2 0 408.590 3.774 20 0 HHADRP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000061902460 966578198 /nfs/dbraw/zinc/57/81/98/966578198.db2.gz OIRJHDJEACKCMO-FQEVSTJZSA-N 2 0 406.574 3.528 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c(C)c2)CC1 ZINC000062428110 966674446 /nfs/dbraw/zinc/67/44/46/966674446.db2.gz MHZBNCLYWRVNNL-XMMPIXPASA-N 2 0 423.605 3.870 20 0 HHADRP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063149135 966762116 /nfs/dbraw/zinc/76/21/16/966762116.db2.gz XXMMYTNRWFFWDO-XMMPIXPASA-N 2 0 422.642 3.780 20 0 HHADRP C[NH+](C)[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000063149977 966762904 /nfs/dbraw/zinc/76/29/04/966762904.db2.gz QPZJQRKJOYFQDJ-QFIPXVFZSA-N 2 0 414.594 3.557 20 0 HHADRP CC(C)CN(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000063150755 966763899 /nfs/dbraw/zinc/76/38/99/966763899.db2.gz KQYWBPIUVCEOHO-UHFFFAOYSA-N 2 0 402.652 3.578 20 0 HHADRP CCCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441430 966858913 /nfs/dbraw/zinc/85/89/13/966858913.db2.gz BAUVKTBVJCDZIX-UHFFFAOYSA-O 2 0 410.607 3.858 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043137167 966913922 /nfs/dbraw/zinc/91/39/22/966913922.db2.gz UPFPKDPKHXCSFI-QFIPXVFZSA-N 2 0 410.562 3.724 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000043139129 966913960 /nfs/dbraw/zinc/91/39/60/966913960.db2.gz NEKTWNSDLUTQLK-HSZRJFAPSA-N 2 0 416.610 3.642 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000043139128 966914096 /nfs/dbraw/zinc/91/40/96/966914096.db2.gz NEKTWNSDLUTQLK-QHCPKHFHSA-N 2 0 416.610 3.642 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167058 966922676 /nfs/dbraw/zinc/92/26/76/966922676.db2.gz SSBYCLJUJUSJJM-JOCHJYFZSA-N 2 0 410.562 3.689 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043231717 966933407 /nfs/dbraw/zinc/93/34/07/966933407.db2.gz NSXOATKVDRCFLA-NRFANRHFSA-N 2 0 412.603 3.803 20 0 HHADRP CC[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141422 1013702913 /nfs/dbraw/zinc/70/29/13/1013702913.db2.gz MITCBTRRNSJXOT-DVECYGJZSA-N 2 0 409.574 3.905 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1 ZINC000538143227 1013704511 /nfs/dbraw/zinc/70/45/11/1013704511.db2.gz GXMBBLJWXPQSGA-VWLOTQADSA-N 2 0 409.574 3.894 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542845521 1013704797 /nfs/dbraw/zinc/70/47/97/1013704797.db2.gz AZDGBEVDUDQUDO-IERDGZPVSA-N 2 0 408.571 3.931 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000045182198 967371754 /nfs/dbraw/zinc/37/17/54/967371754.db2.gz WLPHTQBQYWXHOS-UHFFFAOYSA-N 2 0 404.986 3.574 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000065438945 967466682 /nfs/dbraw/zinc/46/66/82/967466682.db2.gz FMAYHGVYYWDMTD-BGYRXZFFSA-N 2 0 415.626 3.707 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000045757349 967548318 /nfs/dbraw/zinc/54/83/18/967548318.db2.gz SVIUNWAFKAMKFE-NRFANRHFSA-N 2 0 400.592 3.623 20 0 HHADRP O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226334 1013775708 /nfs/dbraw/zinc/77/57/08/1013775708.db2.gz PQAJTLSASWUTKG-UKILVPOCSA-N 2 0 421.585 3.656 20 0 HHADRP CC(C)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000538236451 1013784754 /nfs/dbraw/zinc/78/47/54/1013784754.db2.gz NJBATMDIHFIGFR-UHFFFAOYSA-N 2 0 401.501 3.702 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000047884076 968350877 /nfs/dbraw/zinc/35/08/77/968350877.db2.gz OWTZTXFBUYLYKZ-WOJBJXKFSA-N 2 0 400.611 3.837 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000554111712 1013803003 /nfs/dbraw/zinc/80/30/03/1013803003.db2.gz AZRNLKVPADGQGX-HYBUGGRVSA-N 2 0 423.605 3.950 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000065750157 968624134 /nfs/dbraw/zinc/62/41/34/968624134.db2.gz ZVUDNCWKQBXYNJ-UHFFFAOYSA-N 2 0 422.617 3.987 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065858213 968684375 /nfs/dbraw/zinc/68/43/75/968684375.db2.gz JXFMEGYVEWOWNE-HSZRJFAPSA-N 2 0 409.549 3.950 20 0 HHADRP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000065985696 968750098 /nfs/dbraw/zinc/75/00/98/968750098.db2.gz UFDWZDJYRUBYIC-UHFFFAOYSA-N 2 0 413.610 3.605 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065984201 968750479 /nfs/dbraw/zinc/75/04/79/968750479.db2.gz UDKQXAFVCRCTEO-UHFFFAOYSA-N 2 0 412.553 3.564 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000071923255 968890115 /nfs/dbraw/zinc/89/01/15/968890115.db2.gz NORWNGWKGLUMOS-ZCNNSNEGSA-N 2 0 406.640 3.942 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000072096965 968989467 /nfs/dbraw/zinc/98/94/67/968989467.db2.gz FSWYIJIBELNFDY-RUZDIDTESA-N 2 0 422.617 3.706 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000554279447 1013891355 /nfs/dbraw/zinc/89/13/55/1013891355.db2.gz LFFMYQQVKIWUFY-BTYIYWSLSA-N 2 0 419.928 3.876 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000110427935 969666796 /nfs/dbraw/zinc/66/67/96/969666796.db2.gz DEBOLQSABKLSAP-IAGOWNOFSA-N 2 0 411.384 3.649 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1)c1ccccc1 ZINC000111071072 969771635 /nfs/dbraw/zinc/77/16/35/969771635.db2.gz AXINKMPOOGESBN-XMMPIXPASA-N 2 0 409.574 3.859 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)CC2)c1 ZINC000554360259 1013920837 /nfs/dbraw/zinc/92/08/37/1013920837.db2.gz FHIXMALRLWFXJI-QFIPXVFZSA-N 2 0 418.589 3.829 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376050 1013925085 /nfs/dbraw/zinc/92/50/85/1013925085.db2.gz DGEAIPFMVDRCNA-YZGWKJHDSA-N 2 0 411.512 3.820 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000228927476 970127871 /nfs/dbraw/zinc/12/78/71/970127871.db2.gz CLMIRBYJPHHPGG-ZRCGQRJVSA-N 2 0 418.622 3.545 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000142213836 970145978 /nfs/dbraw/zinc/14/59/78/970145978.db2.gz IUHNNEVTNSGNFC-UHFFFAOYSA-N 2 0 414.619 3.734 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236838986 970178248 /nfs/dbraw/zinc/17/82/48/970178248.db2.gz XHJBKEQJOLICEP-UHFFFAOYSA-N 2 0 421.564 3.796 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000236876219 970183142 /nfs/dbraw/zinc/18/31/42/970183142.db2.gz VMYNTZGLZVBTKZ-UHFFFAOYSA-N 2 0 420.342 3.558 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236974583 970197832 /nfs/dbraw/zinc/19/78/32/970197832.db2.gz WXGNLYJURBHGDC-SFHVURJKSA-N 2 0 414.981 3.708 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)CC1 ZINC000236976399 970198049 /nfs/dbraw/zinc/19/80/49/970198049.db2.gz WZETUWHRQGFHGP-MRXNPFEDSA-N 2 0 424.420 3.662 20 0 HHADRP CCc1nn(C)c(Cl)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000237059182 970215521 /nfs/dbraw/zinc/21/55/21/970215521.db2.gz XXMKNZKADAPWQR-UHFFFAOYSA-N 2 0 404.986 3.797 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000237166654 970234533 /nfs/dbraw/zinc/23/45/33/970234533.db2.gz SSDJRSUGGUQOJM-UHFFFAOYSA-N 2 0 424.420 3.662 20 0 HHADRP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000237331692 970264241 /nfs/dbraw/zinc/26/42/41/970264241.db2.gz VBBYHXSHNUFSCJ-QFIPXVFZSA-N 2 0 417.553 3.836 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237377585 970273413 /nfs/dbraw/zinc/27/34/13/970273413.db2.gz SUVPUNQSQVDETC-RTBURBONSA-N 2 0 420.557 3.984 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H](C)O1 ZINC000237405226 970279111 /nfs/dbraw/zinc/27/91/11/970279111.db2.gz UUPLKQTWEOJHMT-HZPDHXFCSA-N 2 0 421.383 3.818 20 0 HHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000237418566 970281935 /nfs/dbraw/zinc/28/19/35/970281935.db2.gz ZSWYDVBZGNQIFB-QFIPXVFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000237501745 970303389 /nfs/dbraw/zinc/30/33/89/970303389.db2.gz OBHVRBFVROOVNR-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000237575601 970316257 /nfs/dbraw/zinc/31/62/57/970316257.db2.gz JJIFLQLORFIDES-RTBURBONSA-N 2 0 408.521 3.910 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)N1CC[NH+](C)CC1 ZINC000237580710 970317061 /nfs/dbraw/zinc/31/70/61/970317061.db2.gz BRFJTHSKVZDQMS-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237683858 970338769 /nfs/dbraw/zinc/33/87/69/970338769.db2.gz FEUCCDNPIGPUHE-UHFFFAOYSA-N 2 0 411.977 3.742 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000237735805 970350451 /nfs/dbraw/zinc/35/04/51/970350451.db2.gz MLYIFWGNQDQFED-UHFFFAOYSA-N 2 0 421.463 3.701 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000237779131 970364616 /nfs/dbraw/zinc/36/46/16/970364616.db2.gz JJIFLQLORFIDES-KDURUIRLSA-N 2 0 408.521 3.910 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000237856749 970383328 /nfs/dbraw/zinc/38/33/28/970383328.db2.gz UISWAZKCYMRRDE-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)C1 ZINC000237916211 970394053 /nfs/dbraw/zinc/39/40/53/970394053.db2.gz KSVSMCIEUZZRBW-LJQANCHMSA-N 2 0 421.463 3.572 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150167609 970431728 /nfs/dbraw/zinc/43/17/28/970431728.db2.gz JABBRJGDXVNUKU-NRFANRHFSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000252143651 970554492 /nfs/dbraw/zinc/55/44/92/970554492.db2.gz NORWNGWKGLUMOS-VAMGGRTRSA-N 2 0 406.640 3.942 20 0 HHADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000554741507 1014035614 /nfs/dbraw/zinc/03/56/14/1014035614.db2.gz OMUAKDFXNNEIKN-UHFFFAOYSA-N 2 0 404.352 3.820 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000410229172 973726739 /nfs/dbraw/zinc/72/67/39/973726739.db2.gz YTTIHYDRJICXEN-OAHLLOKOSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000410311088 973852715 /nfs/dbraw/zinc/85/27/15/973852715.db2.gz SCZHKFZVCCRAIK-OAQYLSRUSA-N 2 0 400.611 3.505 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+](C)C)c1 ZINC000410313908 973857621 /nfs/dbraw/zinc/85/76/21/973857621.db2.gz AXFGFLUXJPSGTH-DEOSSOPVSA-N 2 0 424.589 3.570 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCCCC1 ZINC000410322697 973870149 /nfs/dbraw/zinc/87/01/49/973870149.db2.gz JECQKXPDRCJSAR-UHFFFAOYSA-N 2 0 400.611 3.647 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000410325146 973880643 /nfs/dbraw/zinc/88/06/43/973880643.db2.gz GSLWSIFLRDMKKL-UHFFFAOYSA-N 2 0 400.611 3.723 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)CCC(F)(F)F ZINC000425993084 974105703 /nfs/dbraw/zinc/10/57/03/974105703.db2.gz AIHAADAYDBLMDC-ZWKOTPCHSA-N 2 0 406.537 3.557 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000426125903 974248616 /nfs/dbraw/zinc/24/86/16/974248616.db2.gz IBOJGOYEACMSQB-DENIHFKCSA-N 2 0 402.583 3.745 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000426125904 974248714 /nfs/dbraw/zinc/24/87/14/974248714.db2.gz IBOJGOYEACMSQB-KNQAVFIVSA-N 2 0 402.583 3.745 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000426770014 974647241 /nfs/dbraw/zinc/64/72/41/974647241.db2.gz NXSGZFCTMUPATQ-IRXDYDNUSA-N 2 0 409.521 3.505 20 0 HHADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775680 974651775 /nfs/dbraw/zinc/65/17/75/974651775.db2.gz UERWOPULXFNWHJ-IRXDYDNUSA-N 2 0 422.411 3.745 20 0 HHADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426789519 974660977 /nfs/dbraw/zinc/66/09/77/974660977.db2.gz VMXZNZHGYQSZIO-YYDVJCTNSA-N 2 0 417.594 3.624 20 0 HHADRP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1Cl ZINC000426837777 974701938 /nfs/dbraw/zinc/70/19/38/974701938.db2.gz YVSRUJFGUWPWDA-OTWHNJEPSA-N 2 0 422.013 3.729 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426930093 974760100 /nfs/dbraw/zinc/76/01/00/974760100.db2.gz XOCKOANHKYEXMC-VWLOTQADSA-N 2 0 418.585 3.617 20 0 HHADRP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674021 975233783 /nfs/dbraw/zinc/23/37/83/975233783.db2.gz YRNVGJIQGBTYQN-FUPPJEDESA-N 2 0 418.622 3.761 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@H]3C2)cc1 ZINC000428245028 975561923 /nfs/dbraw/zinc/56/19/23/975561923.db2.gz ZYXHSPIMQQKUSE-CCDWMCETSA-N 2 0 420.601 3.699 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC000428683705 975975293 /nfs/dbraw/zinc/97/52/93/975975293.db2.gz GDGGXTLBUUTXHH-HUVFLSCGSA-N 2 0 408.590 3.950 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222158 /nfs/dbraw/zinc/22/21/58/976222158.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 2 0 422.658 3.562 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000428933762 976233711 /nfs/dbraw/zinc/23/37/11/976233711.db2.gz VFCMUJAACUYTTP-NHCUHLMSSA-N 2 0 422.658 3.562 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490292 976747714 /nfs/dbraw/zinc/74/77/14/976747714.db2.gz LOTFBKHMAZGSLN-REWPJTCUSA-N 2 0 412.622 3.587 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490290 976748320 /nfs/dbraw/zinc/74/83/20/976748320.db2.gz LOTFBKHMAZGSLN-NZQKXSOJSA-N 2 0 412.622 3.587 20 0 HHADRP CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000429686411 976980063 /nfs/dbraw/zinc/98/00/63/976980063.db2.gz ZHEDDDBKLKTPLN-AREMUKBSSA-N 2 0 407.602 3.874 20 0 HHADRP COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430107657 977322506 /nfs/dbraw/zinc/32/25/06/977322506.db2.gz SMQARQOIPWAVLG-AREMUKBSSA-N 2 0 421.585 3.534 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431116552 978028077 /nfs/dbraw/zinc/02/80/77/978028077.db2.gz XPQAOFNDRVBOLN-FQEVSTJZSA-N 2 0 416.614 3.578 20 0 HHADRP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431149682 978051843 /nfs/dbraw/zinc/05/18/43/978051843.db2.gz CQFUPBPDJMXDCL-UHFFFAOYSA-N 2 0 412.582 3.620 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431336518 978219928 /nfs/dbraw/zinc/21/99/28/978219928.db2.gz JBICDAWKWHMABL-JOCHJYFZSA-N 2 0 413.606 3.605 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688904 978436651 /nfs/dbraw/zinc/43/66/51/978436651.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 2 0 406.574 3.613 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431698103 978442867 /nfs/dbraw/zinc/44/28/67/978442867.db2.gz KUIGIWWJRQPPSQ-RDPSFJRHSA-N 2 0 408.590 3.991 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000431819233 978536014 /nfs/dbraw/zinc/53/60/14/978536014.db2.gz YJUUUYTURHIHQO-UHFFFAOYSA-N 2 0 420.601 3.946 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805453 /nfs/dbraw/zinc/80/54/53/978805453.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 2 0 411.512 3.847 20 0 HHADRP COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000432837134 978988159 /nfs/dbraw/zinc/98/81/59/978988159.db2.gz QVLPSXRHUJRRHL-ZFFYZDHPSA-N 2 0 414.590 3.790 20 0 HHADRP CC(C)[NH+](Cc1cc(Br)ccc1C[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000432963146 979026366 /nfs/dbraw/zinc/02/63/66/979026366.db2.gz ZKBUREPQJRYOAR-SJORKVTESA-N 2 0 415.416 3.632 20 0 HHADRP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)CC(C)(C)O)CC(C)(C)O ZINC000432970965 979029085 /nfs/dbraw/zinc/02/90/85/979029085.db2.gz HYHTVKUKTBNNNP-UHFFFAOYSA-N 2 0 415.416 3.635 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433108755 979076936 /nfs/dbraw/zinc/07/69/36/979076936.db2.gz IFHNXZMNBMZJDM-QZTJIDSGSA-N 2 0 417.491 3.625 20 0 HHADRP Cc1csc2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc(=O)n12 ZINC000433115837 979080280 /nfs/dbraw/zinc/08/02/80/979080280.db2.gz PTOJVBQDZLUPKH-UHFFFAOYSA-N 2 0 408.571 3.553 20 0 HHADRP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173162 979117790 /nfs/dbraw/zinc/11/77/90/979117790.db2.gz HFVVIQFGYGRRFV-QFIPXVFZSA-N 2 0 419.569 3.896 20 0 HHADRP COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccccc3C[NH+](C)C)CC2)c1C ZINC000433344016 979251167 /nfs/dbraw/zinc/25/11/67/979251167.db2.gz QBMJIALYRYEJLN-UHFFFAOYSA-N 2 0 424.589 3.505 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433363178 979257059 /nfs/dbraw/zinc/25/70/59/979257059.db2.gz GYUACTPSTAASHU-LADGPHEKSA-N 2 0 409.574 3.898 20 0 HHADRP CCn1nccc1C1CC[NH+](CC(C)C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434792422 980401945 /nfs/dbraw/zinc/40/19/45/980401945.db2.gz DRIDNEFZRSJVIZ-UHFFFAOYSA-N 2 0 412.626 3.815 20 0 HHADRP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092857 980633146 /nfs/dbraw/zinc/63/31/46/980633146.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 2 0 424.593 3.634 20 0 HHADRP Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435527372 980921802 /nfs/dbraw/zinc/92/18/02/980921802.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 2 0 424.593 3.634 20 0 HHADRP CN(c1ccccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000436403726 981350617 /nfs/dbraw/zinc/35/06/17/981350617.db2.gz BISQXPQNSBJILK-UHFFFAOYSA-N 2 0 412.544 3.581 20 0 HHADRP COc1cc(-c2noc(CCCCC[NH2+]C3CC[NH+](C(C)C)CC3)n2)ccc1O ZINC000436720192 981530136 /nfs/dbraw/zinc/53/01/36/981530136.db2.gz SDWCBQCBHCWFFT-UHFFFAOYSA-N 2 0 402.539 3.626 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448205136 981617371 /nfs/dbraw/zinc/61/73/71/981617371.db2.gz NZLDJRFAAGTBIS-UEAIJXMTSA-N 2 0 422.617 3.840 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214367 981628431 /nfs/dbraw/zinc/62/84/31/981628431.db2.gz SKJAIBFBDZCKAS-YFNKSVMNSA-N 2 0 412.622 3.598 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448365746 981725968 /nfs/dbraw/zinc/72/59/68/981725968.db2.gz JUQVWUMRZUEICR-CVDCTZTESA-N 2 0 414.594 3.888 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448460553 981793687 /nfs/dbraw/zinc/79/36/87/981793687.db2.gz CTSVCKMCWCSVPX-HSALFYBXSA-N 2 0 406.640 3.893 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000448469705 981809101 /nfs/dbraw/zinc/80/91/01/981809101.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473737 981815397 /nfs/dbraw/zinc/81/53/97/981815397.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 2 0 400.611 3.660 20 0 HHADRP CSC1(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC[NH+](C)CC1 ZINC000460220332 981996377 /nfs/dbraw/zinc/99/63/77/981996377.db2.gz GRVFYLOIRXGGNG-LJQANCHMSA-N 2 0 418.651 3.777 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460319290 982097107 /nfs/dbraw/zinc/09/71/07/982097107.db2.gz NRWAHSAMDZCSLW-DNQXCXABSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437787955 982356643 /nfs/dbraw/zinc/35/66/43/982356643.db2.gz SHPZVOPZHAKUCY-JJYICEPISA-N 2 0 409.574 3.836 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437852043 982409406 /nfs/dbraw/zinc/40/94/06/982409406.db2.gz LREJJROFXZVTKS-QFIPXVFZSA-N 2 0 401.620 3.762 20 0 HHADRP Cc1cccc(OC(F)F)c1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000437948189 982479642 /nfs/dbraw/zinc/47/96/42/982479642.db2.gz QHZDJCACYBYZMW-UHFFFAOYSA-N 2 0 410.509 3.668 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000438088913 982581554 /nfs/dbraw/zinc/58/15/54/982581554.db2.gz MWZCYJNGGSKCHD-GOSISDBHSA-N 2 0 412.578 3.585 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000438089555 982582294 /nfs/dbraw/zinc/58/22/94/982582294.db2.gz WAYHQIZSURSUOZ-SFHVURJKSA-N 2 0 412.578 3.585 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000461006859 982720635 /nfs/dbraw/zinc/72/06/35/982720635.db2.gz JLMWMKHTMKGQFW-XXTHSBEZSA-N 2 0 424.589 3.872 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(CC(F)(F)F)c1 ZINC000438524829 982863013 /nfs/dbraw/zinc/86/30/13/982863013.db2.gz ACBOTYNWIRJKNG-UHFFFAOYSA-N 2 0 421.467 3.520 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000438709499 983018389 /nfs/dbraw/zinc/01/83/89/983018389.db2.gz AUEPVUCZUJGRAC-UHFFFAOYSA-N 2 0 423.626 3.972 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438700 983102420 /nfs/dbraw/zinc/10/24/20/983102420.db2.gz MNUBCCSOERYBBS-JWQCQUIFSA-N 2 0 403.570 3.877 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000438833570 983103736 /nfs/dbraw/zinc/10/37/36/983103736.db2.gz XUHBPXZAJVLESD-HDLCADABSA-N 2 0 407.602 3.655 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438847394 983114435 /nfs/dbraw/zinc/11/44/35/983114435.db2.gz CTXRCEZWMTVIKL-HYBUGGRVSA-N 2 0 421.589 3.571 20 0 HHADRP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451811 983117502 /nfs/dbraw/zinc/11/75/02/983117502.db2.gz TVJLIYYADXNOPH-DNQXCXABSA-N 2 0 400.526 3.526 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861622 983127087 /nfs/dbraw/zinc/12/70/87/983127087.db2.gz JGIOWGYDCUYPCV-WMZHIEFXSA-N 2 0 409.578 3.518 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000439083214 983242180 /nfs/dbraw/zinc/24/21/80/983242180.db2.gz GGNSQLMRSNNIFV-DVECYGJZSA-N 2 0 424.589 3.683 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000439174684 983291230 /nfs/dbraw/zinc/29/12/30/983291230.db2.gz YKAZDUCISGSMMY-UHFFFAOYSA-N 2 0 414.619 3.658 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000439249974 983331659 /nfs/dbraw/zinc/33/16/59/983331659.db2.gz LFZAGWAKQIKREM-SFHVURJKSA-N 2 0 406.621 3.720 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000439262130 983336852 /nfs/dbraw/zinc/33/68/52/983336852.db2.gz UHXXVPIMYBUBEK-LJQANCHMSA-N 2 0 404.580 3.642 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000440808021 983915193 /nfs/dbraw/zinc/91/51/93/983915193.db2.gz PPNZTUACBSRBIL-UHFFFAOYSA-N 2 0 400.611 3.838 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192135 984107540 /nfs/dbraw/zinc/10/75/40/984107540.db2.gz DBFPHCKDYHROIO-QDSKXPNFSA-N 2 0 407.558 3.866 20 0 HHADRP O=C(C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000441402868 984233253 /nfs/dbraw/zinc/23/32/53/984233253.db2.gz HXQBZBKLQCZLNI-UHFFFAOYSA-N 2 0 408.011 3.640 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000442217374 984736959 /nfs/dbraw/zinc/73/69/59/984736959.db2.gz UPZWBRUTAHZDQF-UHFFFAOYSA-N 2 0 422.017 3.724 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000461721057 984737116 /nfs/dbraw/zinc/73/71/16/984737116.db2.gz GAICGVQVIUBMJP-QPPBQGQZSA-N 2 0 423.605 3.598 20 0 HHADRP C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC000462033731 985010025 /nfs/dbraw/zinc/01/00/25/985010025.db2.gz XJVKASZTYQDYGX-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875448 985254345 /nfs/dbraw/zinc/25/43/45/985254345.db2.gz WADVKKNYYPCLCE-SFHVURJKSA-N 2 0 402.583 3.942 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462524626 985474545 /nfs/dbraw/zinc/47/45/45/985474545.db2.gz WQNCHMAUVCWVSS-BWKNWUBXSA-N 2 0 420.601 3.513 20 0 HHADRP C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)c2)CC1 ZINC000467969507 985611455 /nfs/dbraw/zinc/61/14/55/985611455.db2.gz NFBPFGXPKUVHJA-UHFFFAOYSA-N 2 0 420.601 3.715 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000462745898 985686698 /nfs/dbraw/zinc/68/66/98/985686698.db2.gz QVXQOFPVVZCCKT-HSZRJFAPSA-N 2 0 412.622 3.949 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462749558 985690991 /nfs/dbraw/zinc/69/09/91/985690991.db2.gz JQWDMCUBJGIPTQ-RPWUZVMVSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cn(C)nc3C(F)F)cc2)C[C@H]1C ZINC000462781915 985717344 /nfs/dbraw/zinc/71/73/44/985717344.db2.gz WJXJXHOHNVXGPY-CALCHBBNSA-N 2 0 406.521 3.657 20 0 HHADRP C[C@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000462816825 985744286 /nfs/dbraw/zinc/74/42/86/985744286.db2.gz MFZZDIVNYMKROE-RCZVLFRGSA-N 3 0 418.645 3.852 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463008319 985961149 /nfs/dbraw/zinc/96/11/49/985961149.db2.gz GRMSLWYFZDXLKE-RDPSFJRHSA-N 2 0 408.590 3.800 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463015026 985969307 /nfs/dbraw/zinc/96/93/07/985969307.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 2 0 420.601 3.670 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443846794 986049946 /nfs/dbraw/zinc/04/99/46/986049946.db2.gz WPZQPFZVVABCNR-CVDCTZTESA-N 2 0 424.589 3.583 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088300 /nfs/dbraw/zinc/08/83/00/986088300.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 2 0 405.602 3.559 20 0 HHADRP c1ccc(CC[NH+]2CCC(NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244048 986212049 /nfs/dbraw/zinc/21/20/49/986212049.db2.gz SHQZPCZPKHQNFI-AREMUKBSSA-N 2 0 407.602 3.574 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246876 986214567 /nfs/dbraw/zinc/21/45/67/986214567.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 2 0 419.613 3.655 20 0 HHADRP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246875 986214759 /nfs/dbraw/zinc/21/47/59/986214759.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 2 0 419.613 3.655 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)CC1 ZINC000468596369 986307050 /nfs/dbraw/zinc/30/70/50/986307050.db2.gz HTADUMFXSKHJDE-UHFFFAOYSA-N 2 0 424.980 3.661 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1F ZINC000444263884 986461224 /nfs/dbraw/zinc/46/12/24/986461224.db2.gz OMTZGKYZCRQRDV-UHFFFAOYSA-N 2 0 422.770 3.587 20 0 HHADRP Cc1cc(N2CCC[C@@H]([NH+]3CCC(C[NH+](C)C)CC3)C2=O)ccc1Br ZINC000463490736 986466606 /nfs/dbraw/zinc/46/66/06/986466606.db2.gz NRHRRIQGYBKFQL-LJQANCHMSA-N 2 0 408.384 3.527 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000463628881 986605079 /nfs/dbraw/zinc/60/50/79/986605079.db2.gz MFAJUVHAFAXBDJ-FQEVSTJZSA-N 2 0 400.592 3.607 20 0 HHADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)C[C@H]2C1 ZINC000468906087 986612858 /nfs/dbraw/zinc/61/28/58/986612858.db2.gz JRIQBPGEPAQOEC-SGKWCMOWSA-N 2 0 423.988 3.576 20 0 HHADRP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909438 986616465 /nfs/dbraw/zinc/61/64/65/986616465.db2.gz KCPVKCIGWHDUKQ-VAMGGRTRSA-N 2 0 413.587 3.753 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000469158043 986882439 /nfs/dbraw/zinc/88/24/39/986882439.db2.gz ZWWHIVHRWSSYGN-UHFFFAOYSA-N 2 0 409.530 3.755 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000469309740 987021965 /nfs/dbraw/zinc/02/19/65/987021965.db2.gz ZLOVZUOFURIAGC-MAUKXSAKSA-N 2 0 401.414 3.881 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444966221 987098424 /nfs/dbraw/zinc/09/84/24/987098424.db2.gz KEPCUONSDJJTID-RUZDIDTESA-N 2 0 410.606 3.559 20 0 HHADRP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000469779495 987426867 /nfs/dbraw/zinc/42/68/67/987426867.db2.gz JLFMZIPQNLHTQL-FGZHOGPDSA-N 2 0 403.636 3.730 20 0 HHADRP CCOCCCN1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000469787790 987433124 /nfs/dbraw/zinc/43/31/24/987433124.db2.gz RIFLGBOARPYGQL-HWIKTNENSA-N 2 0 421.434 3.828 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000469788834 987433870 /nfs/dbraw/zinc/43/38/70/987433870.db2.gz CEQKYUZXWDFLTE-XLIONFOSSA-N 2 0 410.986 3.770 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470281507 988236629 /nfs/dbraw/zinc/23/66/29/988236629.db2.gz YJUKZMQLBHQPPF-RTBURBONSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000470314856 988273729 /nfs/dbraw/zinc/27/37/29/988273729.db2.gz XFSOFUKLUKKNAG-UHFFFAOYSA-N 2 0 405.178 3.615 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000470732568 988764312 /nfs/dbraw/zinc/76/43/12/988764312.db2.gz JZMRRFJLRIDUEZ-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735565 988769863 /nfs/dbraw/zinc/76/98/63/988769863.db2.gz CEDQSJRHVMYMDN-IFMALSPDSA-N 2 0 412.622 3.792 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470738010 988773648 /nfs/dbraw/zinc/77/36/48/988773648.db2.gz RTPGDPXIKPWDTB-RXVVDRJESA-N 2 0 404.986 3.604 20 0 HHADRP CN(C(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470745802 988785710 /nfs/dbraw/zinc/78/57/10/988785710.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 2 0 420.601 3.741 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000464953963 989249864 /nfs/dbraw/zinc/24/98/64/989249864.db2.gz QMILYXIWNXVWBC-REWPJTCUSA-N 2 0 400.611 3.696 20 0 HHADRP CCc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)o2)cc1 ZINC000465015270 989332364 /nfs/dbraw/zinc/33/23/64/989332364.db2.gz XJTXGPGODIPGLV-UHFFFAOYSA-N 2 0 419.573 3.991 20 0 HHADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471232338 989377275 /nfs/dbraw/zinc/37/72/75/989377275.db2.gz WGKVHYOZTQFIFJ-SFHVURJKSA-N 2 0 415.528 3.986 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000465076695 989396067 /nfs/dbraw/zinc/39/60/67/989396067.db2.gz FDYMLEIDPASGIC-XZOQPEGZSA-N 2 0 400.611 3.518 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211044 989560183 /nfs/dbraw/zinc/56/01/83/989560183.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 2 0 411.512 3.535 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509103 989707143 /nfs/dbraw/zinc/70/71/43/989707143.db2.gz ZBFKXVUNPNFPNA-NHCUHLMSSA-N 2 0 412.603 3.706 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000465425252 989769516 /nfs/dbraw/zinc/76/95/16/989769516.db2.gz BETLSWHVHASNNA-UXHICEINSA-N 2 0 406.640 3.894 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000471587061 989790889 /nfs/dbraw/zinc/79/08/89/989790889.db2.gz SGLOGVHVSNEEHV-UHFFFAOYSA-N 2 0 418.548 3.603 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471590924 989793897 /nfs/dbraw/zinc/79/38/97/989793897.db2.gz OSWWDDZKEAEEQD-XMMPIXPASA-N 2 0 406.574 3.604 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000471600301 989803684 /nfs/dbraw/zinc/80/36/84/989803684.db2.gz AVAORSKOODEKJO-IRXDYDNUSA-N 2 0 402.608 3.804 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000471600299 989804019 /nfs/dbraw/zinc/80/40/19/989804019.db2.gz AVAORSKOODEKJO-DLBZAZTESA-N 2 0 402.608 3.804 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471605401 989809374 /nfs/dbraw/zinc/80/93/74/989809374.db2.gz LVUIYAPLUZJSGR-APWZRJJASA-N 2 0 402.583 3.942 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000471610993 989815785 /nfs/dbraw/zinc/81/57/85/989815785.db2.gz PBGCFISOSOGUCZ-DEOSSOPVSA-N 2 0 420.601 3.515 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471616075 989820707 /nfs/dbraw/zinc/82/07/07/989820707.db2.gz BJEDAHHZPVXTNA-MQSCRBSSSA-N 2 0 400.611 3.566 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491654 989839441 /nfs/dbraw/zinc/83/94/41/989839441.db2.gz VCKBLSUAHDTAHA-IRLDBZIGSA-N 2 0 404.599 3.594 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502879 989852326 /nfs/dbraw/zinc/85/23/26/989852326.db2.gz RVMNAZMMRNDSKI-FUPPJEDESA-N 2 0 416.610 3.735 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465521155 989873748 /nfs/dbraw/zinc/87/37/48/989873748.db2.gz AQIBECYJLLSFHN-WIYYLYMNSA-N 2 0 407.002 3.850 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000465532714 989893211 /nfs/dbraw/zinc/89/32/11/989893211.db2.gz VQEIAXQCRWBYRQ-FPOVZHCZSA-N 2 0 404.599 3.592 20 0 HHADRP CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000465552984 989916242 /nfs/dbraw/zinc/91/62/42/989916242.db2.gz ZVPPJTMBLYPORT-ZEQRLZLVSA-N 2 0 414.638 3.906 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000465557313 989921344 /nfs/dbraw/zinc/92/13/44/989921344.db2.gz GAMJRHFIXIVUHP-QFBILLFUSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000465562372 989928901 /nfs/dbraw/zinc/92/89/01/989928901.db2.gz FXKZRBUXTXFQQD-HSZRJFAPSA-N 2 0 404.558 3.571 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579940 989950432 /nfs/dbraw/zinc/95/04/32/989950432.db2.gz PRIWCIRJDAAZGJ-OFNKIYASSA-N 2 0 400.611 3.792 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000471805574 989988485 /nfs/dbraw/zinc/98/84/85/989988485.db2.gz SUCOQTKFCYDMKO-VXKWHMMOSA-N 2 0 410.562 3.546 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000465680879 990065535 /nfs/dbraw/zinc/06/55/35/990065535.db2.gz GALLJYHJHMMBSH-GFSYIJCISA-N 2 0 414.594 3.537 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711760 990097252 /nfs/dbraw/zinc/09/72/52/990097252.db2.gz GQLACGJOHPVKSC-XZOQPEGZSA-N 2 0 400.611 3.975 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000465724569 990110213 /nfs/dbraw/zinc/11/02/13/990110213.db2.gz SLUQUXJQJBJZPE-LOSJGSFVSA-N 2 0 422.617 3.713 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465724699 990110259 /nfs/dbraw/zinc/11/02/59/990110259.db2.gz NQINVCPYROKMRF-JAXLGGSGSA-N 2 0 414.619 3.603 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000465730124 990115554 /nfs/dbraw/zinc/11/55/54/990115554.db2.gz YHAWLHFFCPUZQQ-RBUKOAKNSA-N 2 0 414.516 3.738 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000465740554 990126046 /nfs/dbraw/zinc/12/60/46/990126046.db2.gz GNWKTWYLGBJRPP-SJORKVTESA-N 2 0 414.516 3.824 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000465753818 990139982 /nfs/dbraw/zinc/13/99/82/990139982.db2.gz MBIGNFMGROPLCG-QZNHQXDQSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757290 990143206 /nfs/dbraw/zinc/14/32/06/990143206.db2.gz OLBHPYFYDNSDLM-RBBKRZOGSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472015166 990184044 /nfs/dbraw/zinc/18/40/44/990184044.db2.gz ACOXUCBDSCMEEF-SZPZYZBQSA-N 2 0 410.606 3.557 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000465802921 990184803 /nfs/dbraw/zinc/18/48/03/990184803.db2.gz ACUDIURRAXXKJN-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872574 990986635 /nfs/dbraw/zinc/98/66/35/990986635.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 2 0 408.590 3.670 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000465890879 991016120 /nfs/dbraw/zinc/01/61/20/991016120.db2.gz AMTKZLZFRSRCAG-DHIUTWEWSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000465926822 991060299 /nfs/dbraw/zinc/06/02/99/991060299.db2.gz WQJBSPJSSIOSEI-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)s1 ZINC000465939286 991076778 /nfs/dbraw/zinc/07/67/78/991076778.db2.gz RVBORJOETZLPGN-CVEARBPZSA-N 2 0 401.020 3.910 20 0 HHADRP C[NH+](C)C1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)Cc2ccccc2C1 ZINC000466007273 991172402 /nfs/dbraw/zinc/17/24/02/991172402.db2.gz RXHPZDFHGOZIJR-UHFFFAOYSA-N 2 0 420.601 3.936 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000466078800 991253489 /nfs/dbraw/zinc/25/34/89/991253489.db2.gz OEQGDPXMERSYIM-RXVVDRJESA-N 2 0 404.624 3.791 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1cccs1 ZINC000466079039 991254865 /nfs/dbraw/zinc/25/48/65/991254865.db2.gz OHUJHMBPZSHIGI-DYXWJJEUSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466137027 991318042 /nfs/dbraw/zinc/31/80/42/991318042.db2.gz GRRDXLRFEMUXGP-YKSBVNFPSA-N 2 0 406.574 3.613 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000466377252 991658601 /nfs/dbraw/zinc/65/86/01/991658601.db2.gz CQPXYZHIUBEBHJ-IYBDPMFKSA-N 2 0 404.352 3.743 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466796706 992103381 /nfs/dbraw/zinc/10/33/81/992103381.db2.gz RFBAWUKNMMPOAO-RDPSFJRHSA-N 2 0 408.590 3.501 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000467161086 992480099 /nfs/dbraw/zinc/48/00/99/992480099.db2.gz GQEIEFOWABGGDT-WOJBJXKFSA-N 2 0 401.595 3.566 20 0 HHADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467212130 992536972 /nfs/dbraw/zinc/53/69/72/992536972.db2.gz TXLIFVHYROTVQM-UHFFFAOYSA-N 2 0 400.519 3.686 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314331 992636673 /nfs/dbraw/zinc/63/66/73/992636673.db2.gz UOTPHXMUKFBTMY-SQJMNOBHSA-N 2 0 403.574 3.902 20 0 HHADRP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436583 992733947 /nfs/dbraw/zinc/73/39/47/992733947.db2.gz XYINXXNTRBTZFM-VKZFYUIYSA-N 2 0 403.570 3.961 20 0 HHADRP CN1CCO[C@H]([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000467748121 992995202 /nfs/dbraw/zinc/99/52/02/992995202.db2.gz XAAQBDCPTWVDNT-GOTSBHOMSA-N 2 0 414.981 3.613 20 0 HHADRP CSc1cc(Br)ccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000472145198 993200218 /nfs/dbraw/zinc/20/02/18/993200218.db2.gz CMCYNQUQJWIDEE-UHFFFAOYSA-N 2 0 400.430 3.677 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000472265896 993289151 /nfs/dbraw/zinc/28/91/51/993289151.db2.gz PAXUJOKFGWVFRP-OAHLLOKOSA-N 2 0 402.366 3.755 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472312495 993324444 /nfs/dbraw/zinc/32/44/44/993324444.db2.gz CLRMMNDNYVNLQC-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319219 993330432 /nfs/dbraw/zinc/33/04/32/993330432.db2.gz UHVNQOKJJACOEK-RPBOFIJWSA-N 2 0 420.601 3.672 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000472336027 993344436 /nfs/dbraw/zinc/34/44/36/993344436.db2.gz MCICTZYMVBSAEY-GOTSBHOMSA-N 2 0 410.562 3.974 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(OC)c(NC(C)=O)c3)cc2)CC1 ZINC000480722372 993590775 /nfs/dbraw/zinc/59/07/75/993590775.db2.gz PKDDLLNAUOYVKQ-LJQANCHMSA-N 2 0 424.589 3.642 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728550 993595891 /nfs/dbraw/zinc/59/58/91/993595891.db2.gz QHMHQCHGUOLFBD-ZCNNSNEGSA-N 2 0 404.562 3.991 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(Cl)c(OC)cc3OC)cn2)CC1 ZINC000480736394 993602474 /nfs/dbraw/zinc/60/24/74/993602474.db2.gz YTWXHWQHEFDRHZ-MRXNPFEDSA-N 2 0 418.969 3.745 20 0 HHADRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc2c(c1)OCCO2 ZINC000480737042 993603420 /nfs/dbraw/zinc/60/34/20/993603420.db2.gz IDTBYZSDEFESQK-QHCPKHFHSA-N 2 0 409.574 3.836 20 0 HHADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000480745941 993612886 /nfs/dbraw/zinc/61/28/86/993612886.db2.gz AOFFORMYLFESAI-VWLOTQADSA-N 2 0 415.585 3.910 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000480764511 993629205 /nfs/dbraw/zinc/62/92/05/993629205.db2.gz BEXACOLVNUGCGP-LJQANCHMSA-N 2 0 410.400 3.670 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000480773161 993638362 /nfs/dbraw/zinc/63/83/62/993638362.db2.gz IGLTZYASCLRORB-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783429 993650783 /nfs/dbraw/zinc/65/07/83/993650783.db2.gz ZZYQYXLUMPCFBY-SQJMNOBHSA-N 2 0 403.574 3.902 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000481038897 993883349 /nfs/dbraw/zinc/88/33/49/993883349.db2.gz RPDSXAVZOWDLNH-UHFFFAOYSA-N 2 0 404.574 3.698 20 0 HHADRP C(=C/C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157784 994029234 /nfs/dbraw/zinc/02/92/34/994029234.db2.gz GLAGBFCIXIEDBZ-COTLFELJSA-N 2 0 402.538 3.805 20 0 HHADRP CCCCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1OC ZINC000481248948 994075414 /nfs/dbraw/zinc/07/54/14/994075414.db2.gz FKKGXTXMHVPBNV-IBGZPJMESA-N 2 0 412.578 3.872 20 0 HHADRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000481263126 994082655 /nfs/dbraw/zinc/08/26/55/994082655.db2.gz RXEDDLQBRUUDJE-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000481262404 994082820 /nfs/dbraw/zinc/08/28/20/994082820.db2.gz QNIZFHSFUAXENI-LJQANCHMSA-N 2 0 419.342 3.512 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000481296440 994112037 /nfs/dbraw/zinc/11/20/37/994112037.db2.gz SKTSUTRKYHTEMQ-KRWDZBQOSA-N 2 0 404.576 3.791 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000473547926 994409829 /nfs/dbraw/zinc/40/98/29/994409829.db2.gz HVKGOHOSKDQJAV-UHFFFAOYSA-N 2 0 412.622 3.744 20 0 HHADRP Cc1cc2c(o1)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc2Br ZINC000473575170 994444407 /nfs/dbraw/zinc/44/44/07/994444407.db2.gz LQBZVOAHODUIHD-UHFFFAOYSA-N 2 0 424.383 3.849 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000481638961 994504457 /nfs/dbraw/zinc/50/44/57/994504457.db2.gz HGZTZAPXFFDFBM-MRXNPFEDSA-N 2 0 413.528 3.853 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000481729902 994587958 /nfs/dbraw/zinc/58/79/58/994587958.db2.gz YOJRWBDNZRHCBC-JMQGSBJISA-N 2 0 400.588 3.995 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000481730389 994587984 /nfs/dbraw/zinc/58/79/84/994587984.db2.gz CPKGNQOLPSSSNP-LJQANCHMSA-N 2 0 415.603 3.822 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819245 994746988 /nfs/dbraw/zinc/74/69/88/994746988.db2.gz FXAQLOCHLZIFNI-NFBKMPQASA-N 2 0 421.589 3.613 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829626 994761080 /nfs/dbraw/zinc/76/10/80/994761080.db2.gz MEGNZLYUACHFQS-XMMPIXPASA-N 2 0 421.589 3.567 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481907029 994778795 /nfs/dbraw/zinc/77/87/95/994778795.db2.gz GRCXKAQINAAHDC-DQEYMECFSA-N 2 0 420.601 3.944 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000473878264 994823861 /nfs/dbraw/zinc/82/38/61/994823861.db2.gz SKARPONZOLAZKC-JDBUVZGPSA-N 2 0 408.590 3.745 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000473885006 994834411 /nfs/dbraw/zinc/83/44/11/994834411.db2.gz KBXDMNBPKGAIEC-QZTJIDSGSA-N 2 0 400.611 3.751 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473889073 994839127 /nfs/dbraw/zinc/83/91/27/994839127.db2.gz ZWQURZLICPTROC-SVPADUAOSA-N 2 0 414.638 3.954 20 0 HHADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000481997915 994898483 /nfs/dbraw/zinc/89/84/83/994898483.db2.gz JHNGFESPFHHYLU-UHFFFAOYSA-N 2 0 412.530 3.810 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474004300 994993348 /nfs/dbraw/zinc/99/33/48/994993348.db2.gz DWQSMMCUOXEMAB-NFBKMPQASA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000482110605 995057138 /nfs/dbraw/zinc/05/71/38/995057138.db2.gz BARHTAQVPBBEHV-KRWDZBQOSA-N 2 0 403.368 3.707 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000482115802 995062662 /nfs/dbraw/zinc/06/26/62/995062662.db2.gz TUZMUTWHHRDVAB-HNNXBMFYSA-N 2 0 409.397 3.769 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000482115803 995063406 /nfs/dbraw/zinc/06/34/06/995063406.db2.gz TUZMUTWHHRDVAB-OAHLLOKOSA-N 2 0 409.397 3.769 20 0 HHADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121222 995069680 /nfs/dbraw/zinc/06/96/80/995069680.db2.gz QOUXTZURKLHICX-RDPSFJRHSA-N 2 0 409.574 3.511 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000482238476 995220689 /nfs/dbraw/zinc/22/06/89/995220689.db2.gz YKRLUCNHWPJCLI-HXUWFJFHSA-N 2 0 421.463 3.654 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000482240138 995222136 /nfs/dbraw/zinc/22/21/36/995222136.db2.gz OGPZJCUMZLEOIA-HXUWFJFHSA-N 2 0 416.363 3.518 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 ZINC000482258706 995237309 /nfs/dbraw/zinc/23/73/09/995237309.db2.gz FZPMARMCMWPGOM-LJQANCHMSA-N 2 0 403.979 3.958 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482259340 995237614 /nfs/dbraw/zinc/23/76/14/995237614.db2.gz DMRTUQYDGCOXAP-LADGPHEKSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000482334571 995314241 /nfs/dbraw/zinc/31/42/41/995314241.db2.gz RPCRTZZPWLSQOV-CQSZACIVSA-N 2 0 406.372 3.721 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343655 995322549 /nfs/dbraw/zinc/32/25/49/995322549.db2.gz LSYWWTVFMGDGIH-SFHVURJKSA-N 2 0 401.576 3.529 20 0 HHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474348737 995328145 /nfs/dbraw/zinc/32/81/45/995328145.db2.gz IEJNNWWEUKVSSF-SFHVURJKSA-N 2 0 424.427 3.887 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000482353963 995334332 /nfs/dbraw/zinc/33/43/32/995334332.db2.gz QYPITLLVRJQTIF-GOSISDBHSA-N 2 0 400.636 3.967 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366946 995346782 /nfs/dbraw/zinc/34/67/82/995346782.db2.gz OQHNPUYYZRZBIE-AZUAARDMSA-N 2 0 424.511 3.649 20 0 HHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000474465938 995428303 /nfs/dbraw/zinc/42/83/03/995428303.db2.gz BAKSSMOTSMQNNH-VQTJNVASSA-N 2 0 411.590 3.733 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H](C)c3ccc(OC)c(OC)c3)cn2)CC1 ZINC000474478730 995438392 /nfs/dbraw/zinc/43/83/92/995438392.db2.gz BCOHDDOHUGIPIZ-MOPGFXCFSA-N 2 0 412.578 3.523 20 0 HHADRP Clc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCS2 ZINC000482456838 995458548 /nfs/dbraw/zinc/45/85/48/995458548.db2.gz PKOPUTICNRYAEF-IBGZPJMESA-N 2 0 418.010 3.859 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482534840 995543051 /nfs/dbraw/zinc/54/30/51/995543051.db2.gz OJPBOUWBUHRKRS-LSDHHAIUSA-N 2 0 410.393 3.774 20 0 HHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000482535896 995543985 /nfs/dbraw/zinc/54/39/85/995543985.db2.gz PDASGEJWEUOVMC-IRXDYDNUSA-N 2 0 420.395 3.595 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000482542104 995550267 /nfs/dbraw/zinc/55/02/67/995550267.db2.gz FVJHCBHMFBYQMF-SFHVURJKSA-N 2 0 418.029 3.796 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000482563773 995570033 /nfs/dbraw/zinc/57/00/33/995570033.db2.gz ZTGWZCRNVVYNJZ-MOPGFXCFSA-N 2 0 422.552 3.960 20 0 HHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCCO2 ZINC000482618794 995614645 /nfs/dbraw/zinc/61/46/45/995614645.db2.gz IBOYUYBWYKUUIX-GGAORHGYSA-N 2 0 407.558 3.696 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)c(F)c(F)c1 ZINC000482620259 995616547 /nfs/dbraw/zinc/61/65/47/995616547.db2.gz OMXMCTUPMADBQY-YOEHRIQHSA-N 2 0 405.464 3.652 20 0 HHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000482634143 995628109 /nfs/dbraw/zinc/62/81/09/995628109.db2.gz ISQAOKKMCLXNFS-DNVCBOLYSA-N 2 0 400.592 3.562 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636038 995631029 /nfs/dbraw/zinc/63/10/29/995631029.db2.gz LIPGILONEZTONQ-WIYYLYMNSA-N 2 0 413.562 3.850 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474717644 995655730 /nfs/dbraw/zinc/65/57/30/995655730.db2.gz FQIDMPNRYWTFPQ-HNNXBMFYSA-N 2 0 409.290 3.794 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474728354 995663525 /nfs/dbraw/zinc/66/35/25/995663525.db2.gz MYCLIGJGFYBRHH-RBUKOAKNSA-N 2 0 401.986 3.814 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704718 /nfs/dbraw/zinc/70/47/18/995704718.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 0 409.659 3.527 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704900 /nfs/dbraw/zinc/70/49/00/995704900.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 0 409.659 3.527 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833686 995738663 /nfs/dbraw/zinc/73/86/63/995738663.db2.gz SKTJVNDNUHVGPO-OAQYLSRUSA-N 2 0 424.564 3.818 20 0 HHADRP Cc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000482816976 995769171 /nfs/dbraw/zinc/76/91/71/995769171.db2.gz CTBBJDUDUHKNNC-LOSJGSFVSA-N 2 0 405.586 3.803 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474884041 995776981 /nfs/dbraw/zinc/77/69/81/995776981.db2.gz BQKSPWYTOXIEJX-LULLPPNCSA-N 2 0 420.022 3.772 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000482837316 995782521 /nfs/dbraw/zinc/78/25/21/995782521.db2.gz JFLPRGGTXVSZRN-SGNDLWITSA-N 2 0 412.622 3.660 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012588 995868894 /nfs/dbraw/zinc/86/88/94/995868894.db2.gz IYIILISDXQUODU-RPWUZVMVSA-N 2 0 406.574 3.739 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114022 995930640 /nfs/dbraw/zinc/93/06/40/995930640.db2.gz VWHHHSVOFCBCDQ-FGZHOGPDSA-N 2 0 410.562 3.641 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475138117 995946781 /nfs/dbraw/zinc/94/67/81/995946781.db2.gz MBZHKUCBDXBPPK-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475145054 995952234 /nfs/dbraw/zinc/95/22/34/995952234.db2.gz WDRORTXDVCOMGY-XMMPIXPASA-N 2 0 424.564 3.706 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000475160319 995960645 /nfs/dbraw/zinc/96/06/45/995960645.db2.gz WLLWTVLXAOCFSQ-LJQANCHMSA-N 2 0 405.464 3.703 20 0 HHADRP CCN(C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475165242 995965179 /nfs/dbraw/zinc/96/51/79/995965179.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)C1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000483127909 995992323 /nfs/dbraw/zinc/99/23/23/995992323.db2.gz GWMSEVGGSNODRD-UHFFFAOYSA-N 2 0 405.586 3.504 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475224629 996008003 /nfs/dbraw/zinc/00/80/03/996008003.db2.gz OOFSBVIFKWIGLL-AZUAARDMSA-N 2 0 411.546 3.533 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)c1ccccc1O2 ZINC000483221348 996045532 /nfs/dbraw/zinc/04/55/32/996045532.db2.gz ZIRUWPSNNDMYMM-SIKLNZKXSA-N 2 0 411.590 3.745 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000475308632 996059764 /nfs/dbraw/zinc/05/97/64/996059764.db2.gz BLXRXHQXGLBAGQ-UBEQRZCFSA-N 2 0 410.606 3.699 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC000475515260 996194486 /nfs/dbraw/zinc/19/44/86/996194486.db2.gz BAOAONWOJXYFPC-UHFFFAOYSA-N 2 0 407.602 3.707 20 0 HHADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000483487172 996212627 /nfs/dbraw/zinc/21/26/27/996212627.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 2 0 424.585 3.559 20 0 HHADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000483514805 996226984 /nfs/dbraw/zinc/22/69/84/996226984.db2.gz BUBAJODLTFQULW-QGZVFWFLSA-N 2 0 410.002 3.958 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc32)(N2CCCCC2)CC1 ZINC000483543384 996242008 /nfs/dbraw/zinc/24/20/08/996242008.db2.gz YHNPFVDBPJVATK-HXUWFJFHSA-N 2 0 406.412 3.976 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483673114 996321130 /nfs/dbraw/zinc/32/11/30/996321130.db2.gz SGEIYXJTORKISG-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000475725906 996325727 /nfs/dbraw/zinc/32/57/27/996325727.db2.gz PXPAJMGPTACJNW-LPHOPBHVSA-N 2 0 410.400 3.590 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1C ZINC000483708516 996341203 /nfs/dbraw/zinc/34/12/03/996341203.db2.gz JMUJBIWNROVUDG-UWJYYQICSA-N 2 0 407.002 3.819 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483711353 996343346 /nfs/dbraw/zinc/34/33/46/996343346.db2.gz NOUKQDYMCJUKKT-QTEQDKRBSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C[C@H]1C ZINC000483715970 996346401 /nfs/dbraw/zinc/34/64/01/996346401.db2.gz XXQKKXICNDYPBF-VIZSFHNOSA-N 2 0 400.611 3.933 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483715916 996346449 /nfs/dbraw/zinc/34/64/49/996346449.db2.gz SWZRTGZVQGLRRU-UHFFFAOYSA-N 2 0 416.610 3.613 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc(-n2cnnn2)cc1 ZINC000483731578 996355194 /nfs/dbraw/zinc/35/51/94/996355194.db2.gz SNXZFVJLBHNANT-GOSISDBHSA-N 2 0 402.502 3.738 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000483801229 996396433 /nfs/dbraw/zinc/39/64/33/996396433.db2.gz DRVNICZJLLMURP-UWJYYQICSA-N 2 0 404.624 3.837 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@@H+]2C2CC2)c1 ZINC000483972875 996499405 /nfs/dbraw/zinc/49/94/05/996499405.db2.gz IWEVXTSBBZESON-RTWAWAEBSA-N 2 0 414.594 3.581 20 0 HHADRP C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000484167298 996612192 /nfs/dbraw/zinc/61/21/92/996612192.db2.gz AZPJXYIJNKUIMJ-HXUWFJFHSA-N 2 0 409.574 3.830 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000484277988 996674800 /nfs/dbraw/zinc/67/48/00/996674800.db2.gz OCVZHANRAWHDNV-HNNXBMFYSA-N 2 0 415.500 3.863 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Br)c1 ZINC000484278502 996675206 /nfs/dbraw/zinc/67/52/06/996675206.db2.gz PFJRDVXYSSIRPG-OAHLLOKOSA-N 2 0 410.400 3.726 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000484287585 996680467 /nfs/dbraw/zinc/68/04/67/996680467.db2.gz GQLAXVVWWYERKS-IBGZPJMESA-N 2 0 407.986 3.770 20 0 HHADRP COc1ccc(C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccc(OC)cc2)cc1 ZINC000484467112 996786267 /nfs/dbraw/zinc/78/62/67/996786267.db2.gz MOPRSGFIHUXFAT-RUZDIDTESA-N 2 0 411.590 3.603 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000476569633 997066639 /nfs/dbraw/zinc/06/66/39/997066639.db2.gz IPCCNSNHLYWSOI-RUZDIDTESA-N 2 0 420.601 3.861 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000476982748 997606053 /nfs/dbraw/zinc/60/60/53/997606053.db2.gz JQXDXFSEAFXXAF-LJQANCHMSA-N 2 0 403.636 3.999 20 0 HHADRP O[C@H](COCc1cccs1)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485482257 997934922 /nfs/dbraw/zinc/93/49/22/997934922.db2.gz SCSSUXBWJUKUKD-NRFANRHFSA-N 2 0 400.588 3.614 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000477265315 997941226 /nfs/dbraw/zinc/94/12/26/997941226.db2.gz KEEUUZJLRJXYQD-NHYNNZIHSA-N 2 0 410.606 3.842 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000477314090 998002247 /nfs/dbraw/zinc/00/22/47/998002247.db2.gz LWLROXSZPCKXNO-NOTZXAQLSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2ncsc2c1 ZINC000485824297 998291159 /nfs/dbraw/zinc/29/11/59/998291159.db2.gz BZZYBVOHBOMZHF-FUHIMQAGSA-N 2 0 408.571 3.726 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485824303 998291199 /nfs/dbraw/zinc/29/11/99/998291199.db2.gz BZZYBVOHBOMZHF-ZWOKBUDYSA-N 2 0 408.571 3.726 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000477724838 998453261 /nfs/dbraw/zinc/45/32/61/998453261.db2.gz ZEBAXQFAOFWYGR-RUZDIDTESA-N 2 0 421.585 3.884 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000478035081 998726508 /nfs/dbraw/zinc/72/65/08/998726508.db2.gz CWJIIKUUPZUHFD-MJGOQNOKSA-N 2 0 403.533 3.764 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567136 998830385 /nfs/dbraw/zinc/83/03/85/998830385.db2.gz PBFAVNPNZAIKAQ-AVRDEDQJSA-N 2 0 406.530 3.957 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000486601614 998850979 /nfs/dbraw/zinc/85/09/79/998850979.db2.gz JTOFTHZSRGXKFU-UHFFFAOYSA-N 2 0 409.574 3.549 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478417095 998946821 /nfs/dbraw/zinc/94/68/21/998946821.db2.gz MWJIANMKEUBMAE-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCSC3)CC2)c1 ZINC000486963318 999019979 /nfs/dbraw/zinc/01/99/79/999019979.db2.gz FQCALQLXPDRHBN-QGZVFWFLSA-N 2 0 401.542 3.950 20 0 HHADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486964352 999020294 /nfs/dbraw/zinc/02/02/94/999020294.db2.gz KBPIRQLNOAWNLC-FYYLOGMGSA-N 2 0 400.611 3.852 20 0 HHADRP c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000487060496 999051165 /nfs/dbraw/zinc/05/11/65/999051165.db2.gz KQLKFDXNNJBWDQ-WMPKNSHKSA-N 2 0 410.650 3.807 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000487192651 999092794 /nfs/dbraw/zinc/09/27/94/999092794.db2.gz UXGYZYNEARROOU-SFHVURJKSA-N 2 0 412.335 3.707 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000478791385 999142583 /nfs/dbraw/zinc/14/25/83/999142583.db2.gz DJGSAJDEQWJWAT-OFNKIYASSA-N 2 0 424.589 3.604 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802580 999148014 /nfs/dbraw/zinc/14/80/14/999148014.db2.gz SXCTYFWKYOPJFC-UGKGYDQZSA-N 2 0 412.578 3.981 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000478903665 999202905 /nfs/dbraw/zinc/20/29/05/999202905.db2.gz XOWYINBJOGNBGP-BWKNWUBXSA-N 2 0 420.601 3.656 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3ccc(Br)cc3)cn2)CC1 ZINC000479269353 999356910 /nfs/dbraw/zinc/35/69/10/999356910.db2.gz KXCDRVHZVNCOIF-KRWDZBQOSA-N 2 0 417.395 3.707 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000488182924 999405494 /nfs/dbraw/zinc/40/54/94/999405494.db2.gz LQNGHUNUQJJQLL-VWLOTQADSA-N 2 0 406.574 3.652 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437263 999416979 /nfs/dbraw/zinc/41/69/79/999416979.db2.gz LRSXEWIUQVLWJF-ISKFKSNPSA-N 2 0 402.542 3.606 20 0 HHADRP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444519 999420435 /nfs/dbraw/zinc/42/04/35/999420435.db2.gz IWGQFRLOIUTYRB-QPPBQGQZSA-N 2 0 405.546 3.530 20 0 HHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467639 999430132 /nfs/dbraw/zinc/43/01/32/999430132.db2.gz WGSLIKXTTAGDKC-GMAHTHKFSA-N 2 0 409.574 3.716 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616183 999547005 /nfs/dbraw/zinc/54/70/05/999547005.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488642414 999555337 /nfs/dbraw/zinc/55/53/37/999555337.db2.gz IUMAXZVUQRAWBX-RBBKRZOGSA-N 2 0 412.622 3.993 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075195 999710331 /nfs/dbraw/zinc/71/03/31/999710331.db2.gz ZQXPIMOTGGFBKN-BYXVTNLJSA-N 2 0 423.601 3.569 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084138 999712582 /nfs/dbraw/zinc/71/25/82/999712582.db2.gz JBCHWHGXEIDUHI-YNJKOYDBSA-N 2 0 411.565 3.699 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000489304349 999741594 /nfs/dbraw/zinc/74/15/94/999741594.db2.gz YSPCOCJLJXNTTO-QHCPKHFHSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327209 999746076 /nfs/dbraw/zinc/74/60/76/999746076.db2.gz KTBKZNJZENYBLK-DNRQZRRGSA-N 2 0 420.601 3.643 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528181 999784763 /nfs/dbraw/zinc/78/47/63/999784763.db2.gz HGMBSHLVSRGCFK-JTHBVZDNSA-N 2 0 400.611 3.852 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489534019 999786155 /nfs/dbraw/zinc/78/61/55/999786155.db2.gz NJYFLSUNSJJFII-NFBKMPQASA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480434821 999798236 /nfs/dbraw/zinc/79/82/36/999798236.db2.gz IPTZNIBZSHTOCG-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489774036 999835687 /nfs/dbraw/zinc/83/56/87/999835687.db2.gz GINZFMGATFZCQT-RBUKOAKNSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480599988 999837663 /nfs/dbraw/zinc/83/76/63/999837663.db2.gz FEUVWWOOLXHNMC-HSALFYBXSA-N 2 0 407.624 3.635 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000480610460 999840081 /nfs/dbraw/zinc/84/00/81/999840081.db2.gz JBXGLJXHPLELGM-FBHSLPMESA-N 2 0 408.590 3.695 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)c(Br)c3)cn2)CC1 ZINC000480688660 999859716 /nfs/dbraw/zinc/85/97/16/999859716.db2.gz IJUOFVYGAHAYQB-HNNXBMFYSA-N 2 0 421.358 3.976 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000480690712 999860131 /nfs/dbraw/zinc/86/01/31/999860131.db2.gz AQFUBANDZBSSBS-GOSISDBHSA-N 2 0 415.553 3.831 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4c3cc(Br)cc4F)ccn2)CC1 ZINC000480694854 999861407 /nfs/dbraw/zinc/86/14/07/999861407.db2.gz OCHSAPBUQRUWNQ-LJQANCHMSA-N 2 0 419.342 3.512 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490019897 999878916 /nfs/dbraw/zinc/87/89/16/999878916.db2.gz LAENDSOUDRSYSJ-SQJMNOBHSA-N 2 0 420.601 3.732 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000490088280 999891327 /nfs/dbraw/zinc/89/13/27/999891327.db2.gz LAHZFEUWHXIBSN-DNQXCXABSA-N 2 0 422.573 3.534 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256225 999923066 /nfs/dbraw/zinc/92/30/66/999923066.db2.gz XFVWMXDMCTUUSM-OFNKIYASSA-N 2 0 424.589 3.652 20 0 HHADRP c1ccc(CN2CCO[C@@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396403 999950701 /nfs/dbraw/zinc/95/07/01/999950701.db2.gz GDROVSJNKPGUPG-JOCHJYFZSA-N 2 0 404.514 3.906 20 0 HHADRP C[C@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490633351 999986902 /nfs/dbraw/zinc/98/69/02/999986902.db2.gz ZYCJXLRBTBLPHQ-RXVVDRJESA-N 2 0 413.528 3.822 20 0 HHADRP C[C@@H]1C[N@H+](CC/C=C\c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490649361 999988748 /nfs/dbraw/zinc/98/87/48/999988748.db2.gz OKUFADQPFMBPBV-ZVCGFHAZSA-N 2 0 406.412 3.810 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000490954897 1000027185 /nfs/dbraw/zinc/02/71/85/1000027185.db2.gz ODRRMVVCACAERE-OALUTQOASA-N 2 0 404.624 3.520 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987271 1000030672 /nfs/dbraw/zinc/03/06/72/1000030672.db2.gz JECUWBIRVDRUDJ-KKSHJYNMSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024359 1000035313 /nfs/dbraw/zinc/03/53/13/1000035313.db2.gz XDBQTPSKSWXUNU-TYBLODHISA-N 2 0 420.601 3.958 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491032603 1000036782 /nfs/dbraw/zinc/03/67/82/1000036782.db2.gz CFWKXHLYMNOGJN-OAQYLSRUSA-N 2 0 421.354 3.972 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000491035639 1000037462 /nfs/dbraw/zinc/03/74/62/1000037462.db2.gz WILFXCDVPFNSJR-IIBYNOLFSA-N 2 0 420.370 3.903 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491035914 1000037736 /nfs/dbraw/zinc/03/77/36/1000037736.db2.gz KPLHYJYFCBSQTI-NRFANRHFSA-N 2 0 421.354 3.972 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491039563 1000038218 /nfs/dbraw/zinc/03/82/18/1000038218.db2.gz RCKVXJDXLUUSJT-OAQYLSRUSA-N 2 0 421.354 3.972 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000491054175 1000039698 /nfs/dbraw/zinc/03/96/98/1000039698.db2.gz QCQPXIOZLQVTJE-QFIPXVFZSA-N 2 0 401.526 3.951 20 0 HHADRP COc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491061124 1000041141 /nfs/dbraw/zinc/04/11/41/1000041141.db2.gz PVICVIPQTMBMNU-JPYJTQIMSA-N 2 0 401.982 3.911 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)c2)CC1 ZINC000491398171 1000071530 /nfs/dbraw/zinc/07/15/30/1000071530.db2.gz FSGUIQUWQBTFBL-UHFFFAOYSA-N 2 0 424.593 3.703 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000491755633 1000093955 /nfs/dbraw/zinc/09/39/55/1000093955.db2.gz FEJCTQSVEIERJZ-HXUWFJFHSA-N 2 0 402.583 3.603 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(Br)cs1 ZINC000491866526 1000098499 /nfs/dbraw/zinc/09/84/99/1000098499.db2.gz IDFTUNKKQICVHW-ZDUSSCGKSA-N 2 0 416.429 3.788 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492426255 1000126631 /nfs/dbraw/zinc/12/66/31/1000126631.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 2 0 420.601 3.513 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000492578704 1000133346 /nfs/dbraw/zinc/13/33/46/1000133346.db2.gz IEUVMCREKNTGDZ-SSPYTLHUSA-N 2 0 408.590 3.542 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504868683 1000414998 /nfs/dbraw/zinc/41/49/98/1000414998.db2.gz HRQXXLXWBCCCOK-HXUWFJFHSA-N 2 0 424.589 3.976 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883675 1000426387 /nfs/dbraw/zinc/42/63/87/1000426387.db2.gz WBTZRJIFCWMAQG-BJKOFHAPSA-N 2 0 406.574 3.787 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883914 1000426404 /nfs/dbraw/zinc/42/64/04/1000426404.db2.gz XFNMDPBWOMOLNT-LEWJYISDSA-N 2 0 412.603 3.849 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504914010 1000445213 /nfs/dbraw/zinc/44/52/13/1000445213.db2.gz JFCJYTUMPJNEAQ-FQEVSTJZSA-N 2 0 406.574 3.528 20 0 HHADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000494592694 1000567303 /nfs/dbraw/zinc/56/73/03/1000567303.db2.gz AFTIXYCIEHSHTO-SFHVURJKSA-N 2 0 404.352 3.870 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cn2)CC1 ZINC000494922122 1000731595 /nfs/dbraw/zinc/73/15/95/1000731595.db2.gz NNEZHKMEGOUFIY-CVDCTZTESA-N 2 0 412.553 3.620 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000495075424 1000815083 /nfs/dbraw/zinc/81/50/83/1000815083.db2.gz QZTAHTWCDCIHTN-ZWKOTPCHSA-N 2 0 412.553 3.691 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760283 1001009973 /nfs/dbraw/zinc/00/99/73/1001009973.db2.gz OPYGIXAKKOAVGT-HSALFYBXSA-N 2 0 411.512 3.683 20 0 HHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506006805 1001158357 /nfs/dbraw/zinc/15/83/57/1001158357.db2.gz IMGHEVMXCAFYGM-FQEVSTJZSA-N 2 0 401.595 3.961 20 0 HHADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506016450 1001164568 /nfs/dbraw/zinc/16/45/68/1001164568.db2.gz BYCCNXJCSZJQFO-LJQANCHMSA-N 2 0 422.013 3.684 20 0 HHADRP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506030085 1001174864 /nfs/dbraw/zinc/17/48/64/1001174864.db2.gz FVJRBASEMKTKBV-SFHVURJKSA-N 2 0 405.608 3.560 20 0 HHADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050876 1001191499 /nfs/dbraw/zinc/19/14/99/1001191499.db2.gz FYBYEIDALXDWMF-PZJWPPBQSA-N 2 0 419.635 3.625 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506173925 1001259941 /nfs/dbraw/zinc/25/99/41/1001259941.db2.gz OCUMHNPHCXELBT-INIZCTEOSA-N 2 0 422.545 3.576 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000506302882 1001341491 /nfs/dbraw/zinc/34/14/91/1001341491.db2.gz XJUXDRPLBFVHKO-FYYLOGMGSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000506329584 1001358280 /nfs/dbraw/zinc/35/82/80/1001358280.db2.gz GCGUVWLXEYNFPS-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562296 1001436535 /nfs/dbraw/zinc/43/65/35/1001436535.db2.gz YFPGZAASGRKQJZ-NRFANRHFSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1ccc2nc(CSCC(=O)NC3CC[NH+](CC4CCCC4)CC3)cn2c1 ZINC000497612626 1001458637 /nfs/dbraw/zinc/45/86/37/1001458637.db2.gz TUBPTDHZMJKJDM-UHFFFAOYSA-N 2 0 400.592 3.647 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000506662377 1001486858 /nfs/dbraw/zinc/48/68/58/1001486858.db2.gz MGIDBEDWURAZBF-UHFFFAOYSA-N 2 0 401.558 3.994 20 0 HHADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000497865839 1001542071 /nfs/dbraw/zinc/54/20/71/1001542071.db2.gz BCYFQPIDVYQJGG-QFIPXVFZSA-N 2 0 403.574 3.774 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OCc1ccccc1 ZINC000506893726 1001583944 /nfs/dbraw/zinc/58/39/44/1001583944.db2.gz HSFXEQIYFQHMQK-UHFFFAOYSA-N 2 0 410.558 3.818 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000506922912 1001595376 /nfs/dbraw/zinc/59/53/76/1001595376.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506930790 1001599595 /nfs/dbraw/zinc/59/95/95/1001599595.db2.gz UQMDLYKAPQAYFW-UHFFFAOYSA-N 2 0 416.997 3.746 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000498126618 1001653033 /nfs/dbraw/zinc/65/30/33/1001653033.db2.gz KZOFLSFLAPEVFQ-XUZZJYLKSA-N 2 0 406.574 3.651 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129001 1001653791 /nfs/dbraw/zinc/65/37/91/1001653791.db2.gz XWSNDZCNSOGXDG-VAMGGRTRSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000498155335 1001667014 /nfs/dbraw/zinc/66/70/14/1001667014.db2.gz INTWGSHFZYZSSE-WNXIRNOKSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948626 1001722733 /nfs/dbraw/zinc/72/27/33/1001722733.db2.gz HAINXUGGQMDBSZ-WOIUINJBSA-N 2 0 404.574 3.724 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000498534875 1001954234 /nfs/dbraw/zinc/95/42/34/1001954234.db2.gz CHDYYPUJDULVHB-UHFFFAOYSA-N 2 0 413.525 3.658 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000507290630 1001974222 /nfs/dbraw/zinc/97/42/22/1001974222.db2.gz SLEPEOULCBAHIR-HXUWFJFHSA-N 2 0 414.619 3.530 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303950 1001984847 /nfs/dbraw/zinc/98/48/47/1001984847.db2.gz KGLCLOHFRGWBQX-DNVFCKCGSA-N 2 0 401.599 3.619 20 0 HHADRP CC(C)[NH+]1CCC([N@H+](C)CCCOc2cccc(I)c2)CC1 ZINC000507364648 1002025069 /nfs/dbraw/zinc/02/50/69/1002025069.db2.gz WNGGHODQDCKMHC-UHFFFAOYSA-N 2 0 416.347 3.865 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000507390222 1002043858 /nfs/dbraw/zinc/04/38/58/1002043858.db2.gz KGZFBEWUXYNQRT-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000507452383 1002078970 /nfs/dbraw/zinc/07/89/70/1002078970.db2.gz WTXXXWZORINLIZ-AWEZNQCLSA-N 2 0 406.372 3.721 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000507457372 1002081940 /nfs/dbraw/zinc/08/19/40/1002081940.db2.gz BHIYBSLPXXPGNY-WSOYEBOPSA-N 2 0 403.570 3.535 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCc2ccccc21 ZINC000507464069 1002086417 /nfs/dbraw/zinc/08/64/17/1002086417.db2.gz WJDXICYALWVVHJ-RBZQAINGSA-N 2 0 403.570 3.856 20 0 HHADRP O=C(CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)N1CCc2ccccc21 ZINC000507464070 1002086555 /nfs/dbraw/zinc/08/65/55/1002086555.db2.gz WJDXICYALWVVHJ-TZRRMPRUSA-N 2 0 403.570 3.856 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@H]3C2)cc1 ZINC000507511198 1002121131 /nfs/dbraw/zinc/12/11/31/1002121131.db2.gz OBWKRNYSDGLELH-XWGVYQGASA-N 2 0 407.558 3.640 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498741779 1002126060 /nfs/dbraw/zinc/12/60/60/1002126060.db2.gz ZZEMORNKUGYNAS-ZEQRLZLVSA-N 2 0 409.549 3.640 20 0 HHADRP COC1CC[NH+](C2(CN[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CCCC2)CC1 ZINC000507537423 1002145741 /nfs/dbraw/zinc/14/57/41/1002145741.db2.gz YBGIBMONPAOFFR-PZUNEJSGSA-N 2 0 411.634 3.910 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(OC2CCCC2)c1 ZINC000498813330 1002197107 /nfs/dbraw/zinc/19/71/07/1002197107.db2.gz INWVVHFHPYGPGN-UHFFFAOYSA-N 2 0 423.561 3.737 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498896805 1002287640 /nfs/dbraw/zinc/28/76/40/1002287640.db2.gz ORBQPLAGRIHWMV-FYYLOGMGSA-N 2 0 400.611 3.947 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499102911 1002494127 /nfs/dbraw/zinc/49/41/27/1002494127.db2.gz RWWPEEVHFFMJDR-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000499104560 1002496706 /nfs/dbraw/zinc/49/67/06/1002496706.db2.gz WYBXKEBBJSQKNG-YSZBQJHXSA-N 2 0 412.553 3.638 20 0 HHADRP O=C(CC(F)(F)F)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499148221 1002531760 /nfs/dbraw/zinc/53/17/60/1002531760.db2.gz CHTBIKVOXLMIOR-ACDBMABISA-N 2 0 409.496 3.715 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508054225 1002575244 /nfs/dbraw/zinc/57/52/44/1002575244.db2.gz SWYFOPUCYNHMSW-WOJBJXKFSA-N 2 0 400.611 3.696 20 0 HHADRP O=C1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187962 1002577134 /nfs/dbraw/zinc/57/71/34/1002577134.db2.gz FPZKALXSGSWIDJ-OJJQZRKESA-N 2 0 403.570 3.820 20 0 HHADRP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2)C1 ZINC000499188874 1002579109 /nfs/dbraw/zinc/57/91/09/1002579109.db2.gz IXBGGYMSCGMVAN-JTOYRKQZSA-N 2 0 405.590 3.829 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236401 1002626797 /nfs/dbraw/zinc/62/67/97/1002626797.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 2 0 419.613 3.655 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000499514773 1002903501 /nfs/dbraw/zinc/90/35/01/1002903501.db2.gz ROCXVPRGORIHKV-GOSISDBHSA-N 2 0 421.010 3.952 20 0 HHADRP Cc1nn2c(C[NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)c(C)nc2s1 ZINC000499699831 1003050230 /nfs/dbraw/zinc/05/02/30/1003050230.db2.gz SZRZIXRTFUHJEH-UHFFFAOYSA-N 2 0 413.591 3.569 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712115 1003151025 /nfs/dbraw/zinc/15/10/25/1003151025.db2.gz BTVJRJDYHWOEBH-GFADGAFCSA-N 2 0 413.512 3.737 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722346 1003163160 /nfs/dbraw/zinc/16/31/60/1003163160.db2.gz SCBSUDPQPJYUAW-OYRHQHFDSA-N 2 0 406.618 3.697 20 0 HHADRP c1ncn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730268 1003170117 /nfs/dbraw/zinc/17/01/17/1003170117.db2.gz OCJQYWRVAWRNRP-SDHOMARFSA-N 2 0 401.558 3.717 20 0 HHADRP C[NH+](C)C1(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000508770432 1003201699 /nfs/dbraw/zinc/20/16/99/1003201699.db2.gz OYUORAYOLMOYJU-NRFANRHFSA-N 2 0 411.512 3.822 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000508870115 1003290892 /nfs/dbraw/zinc/29/08/92/1003290892.db2.gz KQWLJAFLZGJYEH-UGKGYDQZSA-N 2 0 400.567 3.743 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899234 1003332030 /nfs/dbraw/zinc/33/20/30/1003332030.db2.gz SZNXJERRRNROKK-IFMALSPDSA-N 2 0 419.491 3.860 20 0 HHADRP Cc1ccc(SCCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000500016746 1003342638 /nfs/dbraw/zinc/34/26/38/1003342638.db2.gz PBJFPJCJDQYFGY-UHFFFAOYSA-N 2 0 412.603 3.509 20 0 HHADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508906760 1003344567 /nfs/dbraw/zinc/34/45/67/1003344567.db2.gz OGRXFTRCRBDUCR-FUPPJEDESA-N 2 0 400.611 3.831 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906766 1003344878 /nfs/dbraw/zinc/34/48/78/1003344878.db2.gz OHENNLFGMQDVDK-SRUXOGRHSA-N 2 0 400.611 3.974 20 0 HHADRP Brc1ccc2oc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000508979976 1003452019 /nfs/dbraw/zinc/45/20/19/1003452019.db2.gz VMTSKLICMNEKPW-UHFFFAOYSA-N 2 0 422.367 3.915 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093261 1003453196 /nfs/dbraw/zinc/45/31/96/1003453196.db2.gz ZCHYVUNWZVHOML-GOSISDBHSA-N 2 0 400.394 3.863 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114972 1003476661 /nfs/dbraw/zinc/47/66/61/1003476661.db2.gz YTJPGFJHBREALZ-SKPFHBQLSA-N 2 0 423.605 3.906 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000509021454 1003493670 /nfs/dbraw/zinc/49/36/70/1003493670.db2.gz HVGVBRFKUTXKMU-SESVDKBCSA-N 2 0 407.002 3.849 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021524 1003493690 /nfs/dbraw/zinc/49/36/90/1003493690.db2.gz IEFJVGHUIUZQMA-NRFANRHFSA-N 2 0 407.002 3.993 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030064 1003500846 /nfs/dbraw/zinc/50/08/46/1003500846.db2.gz HHDAYWVVWWSMQI-WIYYLYMNSA-N 2 0 407.002 3.850 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039296 1003509301 /nfs/dbraw/zinc/50/93/01/1003509301.db2.gz PMFJMJFLIUTAAG-HLAWJBBLSA-N 2 0 407.002 3.849 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000500217031 1003557804 /nfs/dbraw/zinc/55/78/04/1003557804.db2.gz HNJOFUJFPOHNCF-IRXDYDNUSA-N 2 0 400.485 3.905 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)CC2)CC1 ZINC000500608551 1003825139 /nfs/dbraw/zinc/82/51/39/1003825139.db2.gz NBGYFVQVLIXLDT-LZBANZJXSA-N 2 0 404.574 3.771 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646684 1003859774 /nfs/dbraw/zinc/85/97/74/1003859774.db2.gz QKBPRZATHCQMEH-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)sc1Br ZINC000511990080 1003938910 /nfs/dbraw/zinc/93/89/10/1003938910.db2.gz NNSIWUFIXNLNAB-CQSZACIVSA-N 2 0 424.408 3.961 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594408 1003968345 /nfs/dbraw/zinc/96/83/45/1003968345.db2.gz FDGJDCUMBYRMJH-NNWRFLSQSA-N 2 0 412.578 3.872 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000500813205 1003974321 /nfs/dbraw/zinc/97/43/21/1003974321.db2.gz FLZOYJNBZJENCM-UHFFFAOYSA-N 2 0 423.601 3.614 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500835344 1003990652 /nfs/dbraw/zinc/99/06/52/1003990652.db2.gz UNEJNKQOYUKAPU-QHCPKHFHSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000512152325 1004060535 /nfs/dbraw/zinc/06/05/35/1004060535.db2.gz MNORHSSNOBRKPX-QMWXCIFZSA-N 2 0 410.650 3.804 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(SC)cc1OC ZINC000512177554 1004079587 /nfs/dbraw/zinc/07/95/87/1004079587.db2.gz FDJVHBRXJUITHV-IRXDYDNUSA-N 2 0 408.608 3.747 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512184193 1004085801 /nfs/dbraw/zinc/08/58/01/1004085801.db2.gz XHLWCNUZEUASNU-QZTJIDSGSA-N 2 0 414.569 3.949 20 0 HHADRP CC(C)[NH+]1CCN(CCCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000501018926 1004121773 /nfs/dbraw/zinc/12/17/73/1004121773.db2.gz AKLKLPRHQRYBCU-UHFFFAOYSA-N 2 0 418.629 3.790 20 0 HHADRP Cc1ccc2nc(NC(=O)C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)sc2c1 ZINC000501020999 1004124005 /nfs/dbraw/zinc/12/40/05/1004124005.db2.gz FBZCINVEQDYLAN-UHFFFAOYSA-N 2 0 409.559 3.787 20 0 HHADRP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044609 1004145606 /nfs/dbraw/zinc/14/56/06/1004145606.db2.gz HCBKPUCCCAFRBW-UHFFFAOYSA-N 2 0 416.953 3.839 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000512267579 1004168587 /nfs/dbraw/zinc/16/85/87/1004168587.db2.gz XZBHSWOVRLKZKC-UHFFFAOYSA-N 2 0 400.592 3.853 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068863 1004171111 /nfs/dbraw/zinc/17/11/11/1004171111.db2.gz NJZCVNPWZCXZJG-UHFFFAOYSA-N 2 0 416.953 3.921 20 0 HHADRP Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000501070741 1004173771 /nfs/dbraw/zinc/17/37/71/1004173771.db2.gz UMJURJKSVUMCCF-QHCPKHFHSA-N 2 0 410.537 3.873 20 0 HHADRP CC(C)[C@@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074367 1004177717 /nfs/dbraw/zinc/17/77/17/1004177717.db2.gz HDOYLBAXYMKFKJ-XMMPIXPASA-N 2 0 412.553 3.882 20 0 HHADRP CC(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000501187370 1004264522 /nfs/dbraw/zinc/26/45/22/1004264522.db2.gz MHAJFYUVSITZFT-JOCHJYFZSA-N 2 0 404.599 3.642 20 0 HHADRP Brc1ccc2c(c1)C=C(C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)CO2 ZINC000512400823 1004271829 /nfs/dbraw/zinc/27/18/29/1004271829.db2.gz TXBMXMKSOPQIRB-UHFFFAOYSA-N 2 0 421.379 3.659 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000512402965 1004273366 /nfs/dbraw/zinc/27/33/66/1004273366.db2.gz BCDUYDFVQKISHX-SKWRMQMOSA-N 2 0 400.611 3.659 20 0 HHADRP COC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000501203807 1004277175 /nfs/dbraw/zinc/27/71/75/1004277175.db2.gz IHQTXFVLASSRLY-UHFFFAOYSA-N 2 0 424.541 3.604 20 0 HHADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501236442 1004303300 /nfs/dbraw/zinc/30/33/00/1004303300.db2.gz REOGHVXDWNFPNG-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000501325937 1004350026 /nfs/dbraw/zinc/35/00/26/1004350026.db2.gz HCQOSFZWWUGVBU-DHIUTWEWSA-N 2 0 416.610 3.642 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000501325939 1004350068 /nfs/dbraw/zinc/35/00/68/1004350068.db2.gz HCQOSFZWWUGVBU-PKTZIBPZSA-N 2 0 416.610 3.642 20 0 HHADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501328679 1004351537 /nfs/dbraw/zinc/35/15/37/1004351537.db2.gz LXCVRYXYPXRSSR-XMMPIXPASA-N 2 0 408.590 3.597 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501363433 1004368585 /nfs/dbraw/zinc/36/85/85/1004368585.db2.gz OYYQOQXUWOFVGB-KZTDQWPFSA-N 2 0 408.590 3.888 20 0 HHADRP CC[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376570 1004376105 /nfs/dbraw/zinc/37/61/05/1004376105.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 2 0 400.611 3.777 20 0 HHADRP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401999 1004393861 /nfs/dbraw/zinc/39/38/61/1004393861.db2.gz GTWPZCPIOAISMM-QTGUNEKASA-N 2 0 412.553 3.638 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621627 1004435429 /nfs/dbraw/zinc/43/54/29/1004435429.db2.gz ZXMBMPZFAXLRMX-KJXAQDMKSA-N 2 0 411.977 3.960 20 0 HHADRP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632348 1004444432 /nfs/dbraw/zinc/44/44/32/1004444432.db2.gz ZKYVQZCEJDHNRV-ICDZXHCJSA-N 2 0 421.585 3.592 20 0 HHADRP c1ncn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646766 1004457891 /nfs/dbraw/zinc/45/78/91/1004457891.db2.gz CYLLCBQCUGMHRY-SDHOMARFSA-N 2 0 401.558 3.717 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648999 1004459984 /nfs/dbraw/zinc/45/99/84/1004459984.db2.gz PXGXUMGCMRXXMB-NQHRYMMQSA-N 2 0 407.558 3.914 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648994 1004460062 /nfs/dbraw/zinc/46/00/62/1004460062.db2.gz PXGXUMGCMRXXMB-FTBPSBKWSA-N 2 0 407.558 3.914 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510324712 1004482078 /nfs/dbraw/zinc/48/20/78/1004482078.db2.gz RMHNGVPETMNCSV-REWPJTCUSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510343704 1004495215 /nfs/dbraw/zinc/49/52/15/1004495215.db2.gz UEROMQHZDDSMPU-DNJQPREOSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510343705 1004495389 /nfs/dbraw/zinc/49/53/89/1004495389.db2.gz UEROMQHZDDSMPU-IDJJCAIYSA-N 2 0 400.611 3.707 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510349922 1004500150 /nfs/dbraw/zinc/50/01/50/1004500150.db2.gz YTLOTPABRFIEAH-UHFFFAOYSA-N 2 0 408.590 3.600 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)cc2)CC1 ZINC000510363372 1004510427 /nfs/dbraw/zinc/51/04/27/1004510427.db2.gz POGWZTVQSKKNKA-UHFFFAOYSA-N 2 0 420.557 3.884 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC000512800965 1004566990 /nfs/dbraw/zinc/56/69/90/1004566990.db2.gz BTKPRNKNLZFQSG-RCZSKKKRSA-N 2 0 404.599 3.591 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000501646289 1004573574 /nfs/dbraw/zinc/57/35/74/1004573574.db2.gz KMNZNXAWLOVMPU-XMMPIXPASA-N 2 0 415.622 3.638 20 0 HHADRP CCOc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc(Br)c1O ZINC000512823334 1004582968 /nfs/dbraw/zinc/58/29/68/1004582968.db2.gz VFHKYWNWDVAUSH-UHFFFAOYSA-N 2 0 423.351 3.784 20 0 HHADRP CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000510501534 1004622109 /nfs/dbraw/zinc/62/21/09/1004622109.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 2 0 412.622 3.776 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510505358 1004627967 /nfs/dbraw/zinc/62/79/67/1004627967.db2.gz XFBGITCANFEBNH-IFMALSPDSA-N 2 0 412.622 3.912 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512902218 1004670845 /nfs/dbraw/zinc/67/08/45/1004670845.db2.gz MXZGZKNUZURFDL-QHCPKHFHSA-N 2 0 416.610 3.736 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552044 1004689753 /nfs/dbraw/zinc/68/97/53/1004689753.db2.gz VEIGZQZWRGCADX-YKSBVNFPSA-N 2 0 408.590 3.558 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000501776245 1004714731 /nfs/dbraw/zinc/71/47/31/1004714731.db2.gz BCFDGRKHOXERBR-UHFFFAOYSA-N 2 0 421.585 3.661 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793317 1004736448 /nfs/dbraw/zinc/73/64/48/1004736448.db2.gz VJFSJHFMJYJWMS-RRVLBIQBSA-N 2 0 419.654 3.530 20 0 HHADRP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501803708 1004745582 /nfs/dbraw/zinc/74/55/82/1004745582.db2.gz IDLXAJXCQBVESE-SFHVURJKSA-N 2 0 403.567 3.633 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000501813620 1004752848 /nfs/dbraw/zinc/75/28/48/1004752848.db2.gz PIPXZHGXIWUFOF-UHFFFAOYSA-N 2 0 406.958 3.960 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502105650 1004905326 /nfs/dbraw/zinc/90/53/26/1004905326.db2.gz BXUDACJRMZXCAP-BGYRXZFFSA-N 2 0 400.611 3.838 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000502116157 1004909668 /nfs/dbraw/zinc/90/96/68/1004909668.db2.gz CRGULDGPNKGTMH-BGYRXZFFSA-N 2 0 400.611 3.838 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000502212186 1004960592 /nfs/dbraw/zinc/96/05/92/1004960592.db2.gz XLDWYPAWGKCCPY-UHFFFAOYSA-N 2 0 408.590 3.932 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CC1 ZINC000513460796 1004976606 /nfs/dbraw/zinc/97/66/06/1004976606.db2.gz IDFPWVFKLDIUBA-IBGZPJMESA-N 2 0 418.379 3.921 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000513587823 1005038094 /nfs/dbraw/zinc/03/80/94/1005038094.db2.gz BIMPKXSUVMOCNN-NHCUHLMSSA-N 2 0 404.558 3.830 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000511146706 1005044814 /nfs/dbraw/zinc/04/48/14/1005044814.db2.gz PQMYFOPVWCUFNK-UHFFFAOYSA-N 2 0 420.601 3.675 20 0 HHADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511226682 1005081476 /nfs/dbraw/zinc/08/14/76/1005081476.db2.gz CJNJJKNNDBANPF-NRFANRHFSA-N 2 0 412.622 3.671 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511228748 1005082580 /nfs/dbraw/zinc/08/25/80/1005082580.db2.gz OLJISTIEKXNDNB-SIKLNZKXSA-N 2 0 400.611 3.933 20 0 HHADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232038 1005083929 /nfs/dbraw/zinc/08/39/29/1005083929.db2.gz QXVSNUSIFXSHGA-FSSWDIPSSA-N 2 0 404.643 3.793 20 0 HHADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511232956 1005084309 /nfs/dbraw/zinc/08/43/09/1005084309.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 2 0 401.570 3.807 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511242389 1005087898 /nfs/dbraw/zinc/08/78/98/1005087898.db2.gz QRFDLSYXVUATIA-UHFFFAOYSA-N 2 0 409.599 3.761 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000513712199 1005092297 /nfs/dbraw/zinc/09/22/97/1005092297.db2.gz AKOUEKVOEYRWBZ-NRFANRHFSA-N 2 0 404.562 3.520 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H]2CCC[C@H]21 ZINC000513713598 1005092927 /nfs/dbraw/zinc/09/29/27/1005092927.db2.gz QJOIUCOMACWWSG-BHIFYINESA-N 2 0 417.550 3.589 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713121 1005093054 /nfs/dbraw/zinc/09/30/54/1005093054.db2.gz KSUGCHXFERAQFU-HKBOAZHASA-N 2 0 406.412 3.876 20 0 HHADRP CC[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000511266575 1005098000 /nfs/dbraw/zinc/09/80/00/1005098000.db2.gz MOOXIDGZFDKGEY-DEOSSOPVSA-N 2 0 423.626 3.802 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000502652242 1005161501 /nfs/dbraw/zinc/16/15/01/1005161501.db2.gz XELJKZHNVGFWKA-UHFFFAOYSA-N 2 0 400.611 3.851 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505720 1005204440 /nfs/dbraw/zinc/20/44/40/1005204440.db2.gz FCLFKLVIRXNGPQ-SFTDATJTSA-N 2 0 405.533 3.621 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502767541 1005208001 /nfs/dbraw/zinc/20/80/01/1005208001.db2.gz NWEUZUVLHZGPHK-QHCPKHFHSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000502797246 1005222076 /nfs/dbraw/zinc/22/20/76/1005222076.db2.gz UNPSDIOWUAMYNL-FYYLOGMGSA-N 2 0 422.617 3.980 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019996 1005230803 /nfs/dbraw/zinc/23/08/03/1005230803.db2.gz KHUFPEWNTMJWOX-QZTJIDSGSA-N 2 0 407.002 3.724 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000502822326 1005232445 /nfs/dbraw/zinc/23/24/45/1005232445.db2.gz KBNDQCNUYNXEJK-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514031994 1005235910 /nfs/dbraw/zinc/23/59/10/1005235910.db2.gz ALTBQYUCYRSERP-WOJBJXKFSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000502878028 1005255426 /nfs/dbraw/zinc/25/54/26/1005255426.db2.gz UIONLMWZPCTDOR-VXKWHMMOSA-N 2 0 400.611 3.662 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000514092713 1005262018 /nfs/dbraw/zinc/26/20/18/1005262018.db2.gz GHPVXSJBUBYOOB-UHFFFAOYSA-N 2 0 401.595 3.772 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000514157530 1005293343 /nfs/dbraw/zinc/29/33/43/1005293343.db2.gz GULFHPVHGXJAQX-FCHUYYIVSA-N 2 0 410.562 3.861 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000503079570 1005341670 /nfs/dbraw/zinc/34/16/70/1005341670.db2.gz CGCXZQALYIEQPF-UTKZUKDTSA-N 2 0 400.542 3.857 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[NH+](C)C)c1 ZINC000503109570 1005349494 /nfs/dbraw/zinc/34/94/94/1005349494.db2.gz VBIRPPAGGDBZSG-PGRDOPGGSA-N 2 0 412.578 3.727 20 0 HHADRP CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503113426 1005350488 /nfs/dbraw/zinc/35/04/88/1005350488.db2.gz WFJMFJORXBESAS-UHFFFAOYSA-N 2 0 408.590 3.815 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209937 1005369103 /nfs/dbraw/zinc/36/91/03/1005369103.db2.gz WELUKKJXBLCMBM-XZOQPEGZSA-N 2 0 424.589 3.589 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[NH+](C)C)cc1 ZINC000503339509 1005393499 /nfs/dbraw/zinc/39/34/99/1005393499.db2.gz FZYRYYPIZFNEMY-GMAHTHKFSA-N 2 0 400.611 3.751 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503416832 1005414096 /nfs/dbraw/zinc/41/40/96/1005414096.db2.gz AUPLLXCLBXPTBS-FUPPJEDESA-N 2 0 414.638 3.607 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000503426202 1005416632 /nfs/dbraw/zinc/41/66/32/1005416632.db2.gz ZNKWCSYAVXMSEW-PMACEKPBSA-N 2 0 418.626 3.573 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000503466135 1005429166 /nfs/dbraw/zinc/42/91/66/1005429166.db2.gz RQVLQKDEBHPTAR-PMACEKPBSA-N 2 0 400.611 3.696 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000503707013 1005483794 /nfs/dbraw/zinc/48/37/94/1005483794.db2.gz ZGZUNTUSPJBVTB-IBGZPJMESA-N 2 0 400.567 3.791 20 0 HHADRP C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000503895753 1005506540 /nfs/dbraw/zinc/50/65/40/1005506540.db2.gz WWWDQISIRMYSTH-GBXCKJPGSA-N 2 0 405.542 3.881 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503952796 1005518122 /nfs/dbraw/zinc/51/81/22/1005518122.db2.gz KSHSOUZVPTXXDY-GOSISDBHSA-N 2 0 407.002 3.868 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1)Cc1ccccc1 ZINC000531167330 1006025646 /nfs/dbraw/zinc/02/56/46/1006025646.db2.gz OBOFQMWMALPWQY-UHFFFAOYSA-N 2 0 416.569 3.695 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000514572457 1006041836 /nfs/dbraw/zinc/04/18/36/1006041836.db2.gz RFLHHIPQMRGSLK-QFIPXVFZSA-N 2 0 419.013 3.994 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)Cc1ccccc1 ZINC000531207773 1006046945 /nfs/dbraw/zinc/04/69/45/1006046945.db2.gz IMLOUFWLQWUXSJ-QHCPKHFHSA-N 2 0 408.590 3.676 20 0 HHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531291185 1006097432 /nfs/dbraw/zinc/09/74/32/1006097432.db2.gz YCTSPBUTSZYYKB-VWLOTQADSA-N 2 0 407.558 3.638 20 0 HHADRP COc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc2c1OCO2 ZINC000531380511 1006163066 /nfs/dbraw/zinc/16/30/66/1006163066.db2.gz BXVYVEQFPGXHEP-UHFFFAOYSA-N 2 0 412.530 3.585 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000531389998 1006168852 /nfs/dbraw/zinc/16/88/52/1006168852.db2.gz HRKDEBZSZHZPFH-UHFFFAOYSA-N 2 0 417.553 3.907 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000514851162 1006171165 /nfs/dbraw/zinc/17/11/65/1006171165.db2.gz NWAJMHOHCPYYQV-QGZVFWFLSA-N 2 0 411.546 3.977 20 0 HHADRP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534194039 1006183927 /nfs/dbraw/zinc/18/39/27/1006183927.db2.gz KJQTXIASMCWJBV-SFTDATJTSA-N 2 0 402.583 3.886 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534206978 1006199701 /nfs/dbraw/zinc/19/97/01/1006199701.db2.gz KIBOQRAZRJUXDD-IFXFZGMBSA-N 2 0 424.992 3.892 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1 ZINC000531443518 1006200307 /nfs/dbraw/zinc/20/03/07/1006200307.db2.gz SGLOTDTYBBKKIJ-UHFFFAOYSA-N 2 0 405.546 3.761 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000531453772 1006207211 /nfs/dbraw/zinc/20/72/11/1006207211.db2.gz GNYHHGNMQSTJFU-NZQKXSOJSA-N 2 0 406.574 3.776 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228560 1006227100 /nfs/dbraw/zinc/22/71/00/1006227100.db2.gz XXONBNRQRJHJKM-UHFFFAOYSA-N 2 0 417.553 3.661 20 0 HHADRP Cc1nc2ccccn2c1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000531490051 1006228237 /nfs/dbraw/zinc/22/82/37/1006228237.db2.gz WYKRSIDSIAATSU-UHFFFAOYSA-N 2 0 417.479 3.703 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234862 1006237551 /nfs/dbraw/zinc/23/75/51/1006237551.db2.gz HPXMCMLKKRIICK-OXQOHEQNSA-N 2 0 410.965 3.646 20 0 HHADRP Cc1cc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C)cn1 ZINC000534324550 1006299690 /nfs/dbraw/zinc/29/96/90/1006299690.db2.gz RMANAJSSUBRQDV-UHFFFAOYSA-N 2 0 406.452 3.925 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000531656368 1006334613 /nfs/dbraw/zinc/33/46/13/1006334613.db2.gz DDNPQQRXGIYFDM-HNNXBMFYSA-N 2 0 413.463 3.577 20 0 HHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCCN2CC[NH+](C)CC2)nc1 ZINC000515249319 1006359190 /nfs/dbraw/zinc/35/91/90/1006359190.db2.gz HTDANAFGQKAOLU-XMMPIXPASA-N 2 0 415.025 3.678 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC000515290958 1006379625 /nfs/dbraw/zinc/37/96/25/1006379625.db2.gz NRPUBDWALDTWHM-YADHBBJMSA-N 2 0 400.542 3.593 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC000515290955 1006379784 /nfs/dbraw/zinc/37/97/84/1006379784.db2.gz NRPUBDWALDTWHM-FCHUYYIVSA-N 2 0 400.542 3.593 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000531738800 1006390234 /nfs/dbraw/zinc/39/02/34/1006390234.db2.gz WNOCRKKEVCPRMT-QGZVFWFLSA-N 2 0 403.567 3.808 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000531899990 1006507574 /nfs/dbraw/zinc/50/75/74/1006507574.db2.gz XOJDXNFUTJQKDK-UHFFFAOYSA-N 2 0 400.394 3.704 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910808 1006514773 /nfs/dbraw/zinc/51/47/73/1006514773.db2.gz AQOLCXOXPYBZSX-HXUWFJFHSA-N 2 0 422.960 3.875 20 0 HHADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531931945 1006528283 /nfs/dbraw/zinc/52/82/83/1006528283.db2.gz WBKYBMQOMSSGFK-LPHOPBHVSA-N 2 0 421.010 3.697 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000531958932 1006547301 /nfs/dbraw/zinc/54/73/01/1006547301.db2.gz ZSKHGUBVCWDSMS-ROUUACIJSA-N 2 0 421.582 3.510 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531959313 1006547332 /nfs/dbraw/zinc/54/73/32/1006547332.db2.gz PUMYQPJODMQHQJ-GOSISDBHSA-N 2 0 422.573 3.778 20 0 HHADRP COc1cccc(N2CCC[C@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000532104448 1006636945 /nfs/dbraw/zinc/63/69/45/1006636945.db2.gz DMQTUTVDVOCMPZ-QFIPXVFZSA-N 2 0 422.617 3.984 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000515757996 1006647729 /nfs/dbraw/zinc/64/77/29/1006647729.db2.gz TYGWHXUHMVZQJL-ACRUOGEOSA-N 2 0 423.601 3.968 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000515757997 1006648070 /nfs/dbraw/zinc/64/80/70/1006648070.db2.gz TYGWHXUHMVZQJL-HBMCJLEFSA-N 2 0 423.601 3.968 20 0 HHADRP COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000538392811 1006662798 /nfs/dbraw/zinc/66/27/98/1006662798.db2.gz OVCQSRVSQPNXCS-IHLLOCCUSA-N 2 0 407.558 3.515 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720394 1006706869 /nfs/dbraw/zinc/70/68/69/1006706869.db2.gz ADVJBVANPOEKQQ-DNQXCXABSA-N 2 0 406.574 3.738 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000532195221 1006713070 /nfs/dbraw/zinc/71/30/70/1006713070.db2.gz QBCLLDUWSPSNJO-QGZVFWFLSA-N 2 0 402.608 3.805 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(Br)c21 ZINC000532197476 1006713407 /nfs/dbraw/zinc/71/34/07/1006713407.db2.gz QTSOTYWKOGCVSB-KXBFYZLASA-N 2 0 415.379 3.934 20 0 HHADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000532206982 1006720754 /nfs/dbraw/zinc/72/07/54/1006720754.db2.gz RYNAALXSFDTZOW-WMZHIEFXSA-N 2 0 421.651 3.647 20 0 HHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225488 1006732984 /nfs/dbraw/zinc/73/29/84/1006732984.db2.gz XXNKJCKHMKENPH-XUZZJYLKSA-N 2 0 407.558 3.560 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000532450571 1006893914 /nfs/dbraw/zinc/89/39/14/1006893914.db2.gz UMHYHMWMLSPYJJ-LVCYWYKZSA-N 2 0 412.544 3.536 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000532452170 1006894752 /nfs/dbraw/zinc/89/47/52/1006894752.db2.gz YPUMBDUBNJECMK-BANKROOTSA-N 2 0 400.485 3.621 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000532455187 1006897574 /nfs/dbraw/zinc/89/75/74/1006897574.db2.gz BZSGIZXNRUZCIB-SFHVURJKSA-N 2 0 401.576 3.895 20 0 HHADRP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000532504689 1006945783 /nfs/dbraw/zinc/94/57/83/1006945783.db2.gz BECREIFHEWWYRY-UHFFFAOYSA-N 2 0 407.606 3.770 20 0 HHADRP FC(F)(F)c1cnc(N2CC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(Cl)c1 ZINC000532543076 1006976560 /nfs/dbraw/zinc/97/65/60/1006976560.db2.gz QFIHDXXIMCTZFF-INIZCTEOSA-N 2 0 402.892 3.797 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734957 1007016819 /nfs/dbraw/zinc/01/68/19/1007016819.db2.gz OPTWPMVHUXPZRA-YVMONPNESA-N 2 0 409.549 3.799 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000534971825 1007029436 /nfs/dbraw/zinc/02/94/36/1007029436.db2.gz IILIANQBQARJMC-UHFFFAOYSA-N 2 0 412.553 3.660 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869274 1007147340 /nfs/dbraw/zinc/14/73/40/1007147340.db2.gz LTPAYLBQFUFJKF-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP Cn1cc(-c2ccccc2C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000538875548 1007154931 /nfs/dbraw/zinc/15/49/31/1007154931.db2.gz ODHODUCMFFJPSN-UHFFFAOYSA-N 2 0 409.965 3.782 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579003 1007165304 /nfs/dbraw/zinc/16/53/04/1007165304.db2.gz FLKUGAYFPLNOKE-YADARESESA-N 2 0 424.564 3.925 20 0 HHADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000532779662 1007178117 /nfs/dbraw/zinc/17/81/17/1007178117.db2.gz AEXBJHKUIDWFSS-QFIPXVFZSA-N 2 0 413.997 3.706 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccccc1Cl ZINC000538944135 1007228225 /nfs/dbraw/zinc/22/82/25/1007228225.db2.gz MVBUMIKKYZHJBE-FQEVSTJZSA-N 2 0 403.954 3.713 20 0 HHADRP CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538980391 1007273643 /nfs/dbraw/zinc/27/36/43/1007273643.db2.gz OTUICPGOVBZPCK-XMMPIXPASA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539004835 1007303019 /nfs/dbraw/zinc/30/30/19/1007303019.db2.gz XVKGJUDJCZKUMR-LEWJYISDSA-N 2 0 421.589 3.602 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000532949769 1007320436 /nfs/dbraw/zinc/32/04/36/1007320436.db2.gz GSPUWNMHZBRLMK-UHFFFAOYSA-N 2 0 408.590 3.836 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058976 1007352795 /nfs/dbraw/zinc/35/27/95/1007352795.db2.gz BABDVQJLRMRJEZ-VSUDMRMVSA-N 2 0 417.500 3.528 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073095 1007364321 /nfs/dbraw/zinc/36/43/21/1007364321.db2.gz HXKPTDGYBZWDGT-VAMGGRTRSA-N 2 0 400.567 3.539 20 0 HHADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539087433 1007376244 /nfs/dbraw/zinc/37/62/44/1007376244.db2.gz SENCIMIVCGZUSC-BULFRSBZSA-N 2 0 407.624 3.536 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000539220104 1007511480 /nfs/dbraw/zinc/51/14/80/1007511480.db2.gz GMILQUGMCAEHQS-INIZCTEOSA-N 2 0 411.531 3.546 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@@H]1C ZINC000539224582 1007516883 /nfs/dbraw/zinc/51/68/83/1007516883.db2.gz BHQQDLKTQLXWOC-SFTDATJTSA-N 2 0 419.573 3.566 20 0 HHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000539234264 1007528718 /nfs/dbraw/zinc/52/87/18/1007528718.db2.gz SJCFESXCWGATGG-FQEVSTJZSA-N 2 0 408.590 3.958 20 0 HHADRP CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC)cc1 ZINC000539243422 1007537505 /nfs/dbraw/zinc/53/75/05/1007537505.db2.gz MEQNFQSVIOYONJ-QFIPXVFZSA-N 2 0 413.587 3.923 20 0 HHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000533265370 1007582296 /nfs/dbraw/zinc/58/22/96/1007582296.db2.gz ZTLJSXXBXBKKGV-SFTDATJTSA-N 2 0 408.590 3.659 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000539299082 1007596346 /nfs/dbraw/zinc/59/63/46/1007596346.db2.gz YZNFQQKABMLOIQ-HXUWFJFHSA-N 2 0 405.546 3.635 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000539311645 1007610044 /nfs/dbraw/zinc/61/00/44/1007610044.db2.gz DZZFZKKVOMSEBC-SFHVURJKSA-N 2 0 412.553 3.520 20 0 HHADRP COc1cccc(OC)c1OCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651845 /nfs/dbraw/zinc/65/18/45/1007651845.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 2 0 410.558 3.927 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654015 1007665624 /nfs/dbraw/zinc/66/56/24/1007665624.db2.gz DPUXVXZWEOHEKY-BLIXFSHQSA-N 2 0 424.992 3.893 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000535654036 1007667356 /nfs/dbraw/zinc/66/73/56/1007667356.db2.gz DPUXVXZWEOHEKY-PLMTUMEDSA-N 2 0 424.992 3.893 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462794 1007687215 /nfs/dbraw/zinc/68/72/15/1007687215.db2.gz RGWYIFWCOJKEGX-APWZRJJASA-N 2 0 414.516 3.729 20 0 HHADRP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535675909 1007700777 /nfs/dbraw/zinc/70/07/77/1007700777.db2.gz MQKUCJOJYUIKPQ-QFIPXVFZSA-N 2 0 419.569 3.896 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681869 1007711903 /nfs/dbraw/zinc/71/19/03/1007711903.db2.gz QQXHCOWQQBSWDV-LAUBAEHRSA-N 2 0 424.992 3.892 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000517523060 1007741995 /nfs/dbraw/zinc/74/19/95/1007741995.db2.gz PKSDHKPCHNGUJI-IRLDBZIGSA-N 2 0 416.610 3.643 20 0 HHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000533439508 1007755167 /nfs/dbraw/zinc/75/51/67/1007755167.db2.gz OBKNMUDKIBCGIG-FGZHOGPDSA-N 2 0 405.627 3.569 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517540337 1007755469 /nfs/dbraw/zinc/75/54/69/1007755469.db2.gz WUPWEXBWEAGBOL-PMACEKPBSA-N 2 0 400.611 3.838 20 0 HHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496411 1007807306 /nfs/dbraw/zinc/80/73/06/1007807306.db2.gz MDZPWVGFJVYRAM-XZOQPEGZSA-N 2 0 402.579 3.614 20 0 HHADRP CCOC(=O)C1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000539510861 1007819811 /nfs/dbraw/zinc/81/98/11/1007819811.db2.gz QHSLCCNWEAVEOE-PGYGNJIDSA-N 2 0 405.558 3.740 20 0 HHADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539511156 1007821021 /nfs/dbraw/zinc/82/10/21/1007821021.db2.gz WYWKJKPZKUOKLY-KRWDZBQOSA-N 2 0 401.574 3.677 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc2)CC1 ZINC000535821553 1007834701 /nfs/dbraw/zinc/83/47/01/1007834701.db2.gz NWWZZZGGNWAAKJ-UHFFFAOYSA-N 2 0 406.574 3.719 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517668555 1007881996 /nfs/dbraw/zinc/88/19/96/1007881996.db2.gz RMFLFGLVJJQXFS-NRFANRHFSA-N 2 0 423.601 3.586 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535943021 1007975953 /nfs/dbraw/zinc/97/59/53/1007975953.db2.gz JGWCXSQBEAQTLD-RDPSFJRHSA-N 2 0 412.622 3.934 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945943 1007978640 /nfs/dbraw/zinc/97/86/40/1007978640.db2.gz YRDIOCBJSANDHT-RTWAWAEBSA-N 2 0 418.651 3.894 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000517887422 1008030885 /nfs/dbraw/zinc/03/08/85/1008030885.db2.gz OCNUJWZRJAUEBD-IBGZPJMESA-N 2 0 414.516 3.729 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000517912313 1008053440 /nfs/dbraw/zinc/05/34/40/1008053440.db2.gz YTXLTSAKVHLNFI-OFNKIYASSA-N 2 0 400.611 3.981 20 0 HHADRP C[N@H+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000518018502 1008106448 /nfs/dbraw/zinc/10/64/48/1008106448.db2.gz KNVXSKKQFMHSMU-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000539949754 1008201324 /nfs/dbraw/zinc/20/13/24/1008201324.db2.gz BFUHWOBQNHZZKE-OAQYLSRUSA-N 2 0 402.970 3.612 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000539953210 1008203163 /nfs/dbraw/zinc/20/31/63/1008203163.db2.gz QPRYHYPDZPCHMK-UHFFFAOYSA-N 2 0 415.626 3.984 20 0 HHADRP CCN1CC[C@@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518222435 1008211121 /nfs/dbraw/zinc/21/11/21/1008211121.db2.gz RKKYNRSBWIBDPW-YADHBBJMSA-N 2 0 411.009 3.620 20 0 HHADRP CCN1CC[C@H]([NH2+]CCCN2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518222430 1008211552 /nfs/dbraw/zinc/21/15/52/1008211552.db2.gz RKKYNRSBWIBDPW-FCHUYYIVSA-N 2 0 411.009 3.620 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000518275553 1008235583 /nfs/dbraw/zinc/23/55/83/1008235583.db2.gz SJAHNLDXECMKGY-UHFFFAOYSA-N 2 0 421.589 3.804 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000540045936 1008255033 /nfs/dbraw/zinc/25/50/33/1008255033.db2.gz UFRQEVUSOTZEPR-UHFFFAOYSA-N 2 0 406.574 3.811 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COCc1ccccc1Cl ZINC000540046425 1008255640 /nfs/dbraw/zinc/25/56/40/1008255640.db2.gz AMYYPQNDONHDGH-QFIPXVFZSA-N 2 0 417.981 3.851 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540161558 1008317416 /nfs/dbraw/zinc/31/74/16/1008317416.db2.gz SDLHHOFLNFUWKI-YCRPNKLZSA-N 2 0 419.928 3.876 20 0 HHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540163374 1008317765 /nfs/dbraw/zinc/31/77/65/1008317765.db2.gz LVVGASLNSAGMJJ-PKTZIBPZSA-N 2 0 424.004 3.801 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520022 1008335809 /nfs/dbraw/zinc/33/58/09/1008335809.db2.gz QDBTWKCVMRRFFE-QUCCMNQESA-N 2 0 404.624 3.837 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540302826 1008373268 /nfs/dbraw/zinc/37/32/68/1008373268.db2.gz UKTKUSSPOMULFV-SFHVURJKSA-N 2 0 401.576 3.561 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@@H]1C ZINC000540328182 1008381821 /nfs/dbraw/zinc/38/18/21/1008381821.db2.gz MWGCPAVWHXPCNE-PMACEKPBSA-N 2 0 419.573 3.771 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000518798200 1008423559 /nfs/dbraw/zinc/42/35/59/1008423559.db2.gz RDPCNRCFWGXPEF-JOCHJYFZSA-N 2 0 417.601 3.882 20 0 HHADRP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)c1 ZINC000540474985 1008446291 /nfs/dbraw/zinc/44/62/91/1008446291.db2.gz IYHOZIWKAAERQK-CVDCTZTESA-N 2 0 407.558 3.852 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)c1ccccc1O2 ZINC000540496217 1008455354 /nfs/dbraw/zinc/45/53/54/1008455354.db2.gz YLGWODCEHNOHRW-HSZRJFAPSA-N 2 0 419.569 3.869 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545457222 1008568772 /nfs/dbraw/zinc/56/87/72/1008568772.db2.gz APSQIJYZVXJNMW-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549202580 1008774452 /nfs/dbraw/zinc/77/44/52/1008774452.db2.gz RZTRFWPVMWINDG-LEWJYISDSA-N 2 0 423.601 3.840 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000549209379 1008781137 /nfs/dbraw/zinc/78/11/37/1008781137.db2.gz MIEMJSTVYNLXSR-GOTSBHOMSA-N 2 0 412.622 3.947 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000519500070 1008871429 /nfs/dbraw/zinc/87/14/29/1008871429.db2.gz MMGYYZGIWPZENL-QHCPKHFHSA-N 2 0 412.553 3.736 20 0 HHADRP COc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000519721554 1008976767 /nfs/dbraw/zinc/97/67/67/1008976767.db2.gz HWJDANXPKXCWSF-UHFFFAOYSA-N 2 0 411.590 3.829 20 0 HHADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000543402153 1008994592 /nfs/dbraw/zinc/99/45/92/1008994592.db2.gz DPSFEDIGWYKPJP-KRWDZBQOSA-N 2 0 402.560 3.863 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCC(=O)Nc4ccccc43)CC2)c1 ZINC000543407723 1009002443 /nfs/dbraw/zinc/00/24/43/1009002443.db2.gz ZSADMKUMJCAGQA-QHCPKHFHSA-N 2 0 406.574 3.960 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)cc1OC ZINC000543410258 1009004523 /nfs/dbraw/zinc/00/45/23/1009004523.db2.gz CITUMBCYNQRQLO-FQEVSTJZSA-N 2 0 411.546 3.979 20 0 HHADRP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463361 1009050369 /nfs/dbraw/zinc/05/03/69/1009050369.db2.gz KUBWUUJQIOGSQW-DHCWPECDSA-N 2 0 402.579 3.711 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000519935652 1009089776 /nfs/dbraw/zinc/08/97/76/1009089776.db2.gz YLBLHTPOTBRXLI-XMMPIXPASA-N 2 0 424.589 3.572 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cccc2ccccc21 ZINC000543519362 1009110829 /nfs/dbraw/zinc/11/08/29/1009110829.db2.gz HNNLFDNTGMTVTG-UHFFFAOYSA-N 2 0 422.617 3.542 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000546167497 1009200372 /nfs/dbraw/zinc/20/03/72/1009200372.db2.gz LCSBEJLKUOJNPV-UHFFFAOYSA-N 2 0 422.411 3.825 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549593330 1009220378 /nfs/dbraw/zinc/22/03/78/1009220378.db2.gz YJTGAIDBIZRVJW-QFIPXVFZSA-N 2 0 412.578 3.654 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000520072132 1009233237 /nfs/dbraw/zinc/23/32/37/1009233237.db2.gz XHSHCXKYNIWGHW-JOCHJYFZSA-N 2 0 412.578 3.669 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000549610095 1009237186 /nfs/dbraw/zinc/23/71/86/1009237186.db2.gz BIJLWJWZUKFCEG-PKTZIBPZSA-N 2 0 413.606 3.708 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000543774769 1009342136 /nfs/dbraw/zinc/34/21/36/1009342136.db2.gz USKLMNQPEVKCKD-JOCHJYFZSA-N 2 0 411.521 3.655 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520207938 1009343177 /nfs/dbraw/zinc/34/31/77/1009343177.db2.gz HOADTKAGINHPBK-IEBWSBKVSA-N 2 0 414.981 3.773 20 0 HHADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000549718876 1009346960 /nfs/dbraw/zinc/34/69/60/1009346960.db2.gz FRFPJISJVGHJOP-QLBJFCOMSA-N 2 0 403.570 3.603 20 0 HHADRP CS(=O)(=O)c1ccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000520248575 1009367560 /nfs/dbraw/zinc/36/75/60/1009367560.db2.gz AMCHJYYDTGPEDY-UHFFFAOYSA-N 2 0 414.615 3.915 20 0 HHADRP CSc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000520297184 1009420977 /nfs/dbraw/zinc/42/09/77/1009420977.db2.gz MWYDUONTWBFFGO-UHFFFAOYSA-N 2 0 417.644 3.930 20 0 HHADRP C[C@H](CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000543907598 1009493047 /nfs/dbraw/zinc/49/30/47/1009493047.db2.gz RODPMAOVYUUYMZ-LYAYNFHSSA-N 2 0 420.644 3.941 20 0 HHADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000520417423 1009542127 /nfs/dbraw/zinc/54/21/27/1009542127.db2.gz KUMQMQLKVLNWER-KRWDZBQOSA-N 2 0 414.516 3.653 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002973 1009604277 /nfs/dbraw/zinc/60/42/77/1009604277.db2.gz SRRVFVKPBYCZDB-QAPCUYQASA-N 2 0 423.623 3.969 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000520613116 1009688748 /nfs/dbraw/zinc/68/87/48/1009688748.db2.gz RNAFPBWXBQDZTO-SFTDATJTSA-N 2 0 400.611 3.981 20 0 HHADRP CCOC(=O)c1oc2ccccc2c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000550393909 1009903809 /nfs/dbraw/zinc/90/38/09/1009903809.db2.gz PSRDCMKOAMWDTD-JWTNVVGKSA-N 2 0 400.519 3.683 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1CCCCC1 ZINC000520926088 1009979679 /nfs/dbraw/zinc/97/96/79/1009979679.db2.gz MPLHVWHGLHHWAD-QHCPKHFHSA-N 2 0 414.594 3.950 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000550785195 1010174168 /nfs/dbraw/zinc/17/41/68/1010174168.db2.gz PPLSFDUXZZWWMU-WBVHZDCISA-N 2 0 407.377 3.854 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000544622801 1010245968 /nfs/dbraw/zinc/24/59/68/1010245968.db2.gz UEIJPOCTXQQMEZ-PMACEKPBSA-N 2 0 400.611 3.790 20 0 HHADRP CN1CC[C@H](NC(=O)NCc2ccccc2Cn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960619 1010281389 /nfs/dbraw/zinc/28/13/89/1010281389.db2.gz GVWYQGVDBNGDPR-VXKWHMMOSA-N 2 0 423.948 3.829 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000521349702 1010324911 /nfs/dbraw/zinc/32/49/11/1010324911.db2.gz SHYMKDCICNLTGL-QFIPXVFZSA-N 2 0 419.013 3.868 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511428 1010334560 /nfs/dbraw/zinc/33/45/60/1010334560.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 2 0 412.647 3.537 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544828267 1010419054 /nfs/dbraw/zinc/41/90/54/1010419054.db2.gz PAVOROWVFDBCLA-XXBNENTESA-N 2 0 400.998 3.882 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155802 1010547411 /nfs/dbraw/zinc/54/74/11/1010547411.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 2 0 407.602 3.908 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[NH+]1CC ZINC000521785513 1010616673 /nfs/dbraw/zinc/61/66/73/1010616673.db2.gz NHOHERAYIKLXDA-DHIUTWEWSA-N 2 0 415.626 3.732 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(I)c2)[C@@H](C)C1 ZINC000551537455 1010645517 /nfs/dbraw/zinc/64/55/17/1010645517.db2.gz JGJXLFCOZLUTBK-YJBOKZPZSA-N 2 0 416.347 3.518 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000548815032 1010736502 /nfs/dbraw/zinc/73/65/02/1010736502.db2.gz LBDRAGZLSMTSFG-SFTDATJTSA-N 2 0 418.969 3.553 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048954 1010778102 /nfs/dbraw/zinc/77/81/02/1010778102.db2.gz HSRBPTIWPJAPJF-JTHBVZDNSA-N 2 0 414.638 3.751 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000522065955 1010788035 /nfs/dbraw/zinc/78/80/35/1010788035.db2.gz JDBNDAZMKILZOY-UHFFFAOYSA-N 2 0 414.638 3.993 20 0 HHADRP Cc1ccc([C@H](C)N(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000522125803 1010824283 /nfs/dbraw/zinc/82/42/83/1010824283.db2.gz POSFNVVRFSBVOT-NRFANRHFSA-N 2 0 409.578 3.613 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277649 1010900457 /nfs/dbraw/zinc/90/04/57/1010900457.db2.gz SHUHSXYKKXLZPX-FGZHOGPDSA-N 2 0 410.562 3.689 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522293958 1010911339 /nfs/dbraw/zinc/91/13/39/1010911339.db2.gz QABWPCRQIQIGEF-XMMPIXPASA-N 2 0 406.574 3.746 20 0 HHADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000522848690 1011288938 /nfs/dbraw/zinc/28/89/38/1011288938.db2.gz NHAJSTKTODCAQZ-OAQYLSRUSA-N 2 0 419.997 3.628 20 0 HHADRP C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540766482 1011421412 /nfs/dbraw/zinc/42/14/12/1011421412.db2.gz VMISEAGWHPJSMI-IBGZPJMESA-N 2 0 415.603 3.647 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000540787736 1011447693 /nfs/dbraw/zinc/44/76/93/1011447693.db2.gz VQPOKJGTVFIVIU-UXHICEINSA-N 2 0 418.006 3.756 20 0 HHADRP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)CN1CC[NH+](C)CC1 ZINC000536302357 1011490742 /nfs/dbraw/zinc/49/07/42/1011490742.db2.gz LMIJSCFIFDZEHK-SCLBCKFNSA-N 2 0 400.792 3.563 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991193 1011624022 /nfs/dbraw/zinc/62/40/22/1011624022.db2.gz DVEJJDSQVLEDFR-CJFMBICVSA-N 2 0 404.558 3.739 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000523219410 1011707889 /nfs/dbraw/zinc/70/78/89/1011707889.db2.gz XIWXWZZKPFIHLN-RPWUZVMVSA-N 2 0 423.605 3.689 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000536593492 1011756323 /nfs/dbraw/zinc/75/63/23/1011756323.db2.gz MMUNKSREBYGZBS-QHCPKHFHSA-N 2 0 409.578 3.632 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000523315300 1011791322 /nfs/dbraw/zinc/79/13/22/1011791322.db2.gz SELARGQRHIKPAW-UHFFFAOYSA-N 2 0 408.333 3.722 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000523335844 1011810974 /nfs/dbraw/zinc/81/09/74/1011810974.db2.gz YWFDDFHALYEPFI-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C1CC[NH+](C)CC1 ZINC000536667247 1011819762 /nfs/dbraw/zinc/81/97/62/1011819762.db2.gz UDGKCHCWDWJPLC-DEOSSOPVSA-N 2 0 415.622 3.767 20 0 HHADRP c1cn2c(cccc2C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000536706611 1011877054 /nfs/dbraw/zinc/87/70/54/1011877054.db2.gz WEGSZXFEAXYZNI-UHFFFAOYSA-N 2 0 411.553 3.946 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445354 1011940365 /nfs/dbraw/zinc/94/03/65/1011940365.db2.gz GXWPMZSHZPIYDH-CTNGQTDRSA-N 2 0 410.562 3.892 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000551815843 1011973126 /nfs/dbraw/zinc/97/31/26/1011973126.db2.gz DBVRCDXNGVCNIM-HFZDXXHNSA-N 2 0 423.601 3.711 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000523470794 1011979647 /nfs/dbraw/zinc/97/96/47/1011979647.db2.gz OVXXHIIJUDHDGT-FYYLOGMGSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000523482679 1011995263 /nfs/dbraw/zinc/99/52/63/1011995263.db2.gz KJEXHFVXTMRYNS-QHCPKHFHSA-N 2 0 400.611 3.599 20 0 HHADRP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032933 1012057434 /nfs/dbraw/zinc/05/74/34/1012057434.db2.gz CYAKTGTVYDLBDL-ICDZXHCJSA-N 2 0 421.585 3.592 20 0 HHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536835934 1012066498 /nfs/dbraw/zinc/06/64/98/1012066498.db2.gz YDWXXPZOVQGTBN-PELRDEGISA-N 2 0 407.624 3.631 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839938 1012069947 /nfs/dbraw/zinc/06/99/47/1012069947.db2.gz QUOQWBFKILQIPU-QHAWAJNXSA-N 2 0 411.590 3.942 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854022 1012085769 /nfs/dbraw/zinc/08/57/69/1012085769.db2.gz XDWKAZNOZGHAKF-FUHWJXTLSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552071111 1012088922 /nfs/dbraw/zinc/08/89/22/1012088922.db2.gz PWDMMXZFFUSAJR-HOQQESESSA-N 2 0 402.558 3.923 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000536858590 1012092976 /nfs/dbraw/zinc/09/29/76/1012092976.db2.gz OYBDSLVUBBXPFV-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000523655952 1012249062 /nfs/dbraw/zinc/24/90/62/1012249062.db2.gz ZEXNMBYIHJKPMZ-IRXDYDNUSA-N 2 0 400.394 3.829 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000552247459 1012258582 /nfs/dbraw/zinc/25/85/82/1012258582.db2.gz PQMCOKCHXVTMFS-RTBURBONSA-N 2 0 422.552 3.960 20 0 HHADRP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522687 1012304827 /nfs/dbraw/zinc/30/48/27/1012304827.db2.gz XJXATAOCXPQTDA-WIOPSUGQSA-N 2 0 412.622 3.949 20 0 HHADRP CCC1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000537016436 1012316637 /nfs/dbraw/zinc/31/66/37/1012316637.db2.gz KPTMGAAUUBQVRT-LJQANCHMSA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C[C@H]1C ZINC000537021597 1012327195 /nfs/dbraw/zinc/32/71/95/1012327195.db2.gz DSOOVSJWRQZQDW-WOJBJXKFSA-N 2 0 419.573 3.771 20 0 HHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C[C@@H]1C ZINC000537021596 1012327597 /nfs/dbraw/zinc/32/75/97/1012327597.db2.gz DSOOVSJWRQZQDW-PMACEKPBSA-N 2 0 419.573 3.771 20 0 HHADRP Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552332471 1012340825 /nfs/dbraw/zinc/34/08/25/1012340825.db2.gz SYUMKGLYQHJMPI-YSIASYRMSA-N 2 0 403.368 3.536 20 0 HHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000523738642 1012358924 /nfs/dbraw/zinc/35/89/24/1012358924.db2.gz CIXVKEOKHCDTKZ-UHFFFAOYSA-N 2 0 423.536 3.876 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000523776824 1012420875 /nfs/dbraw/zinc/42/08/75/1012420875.db2.gz SWCWBDPAZVUSET-QGZVFWFLSA-N 2 0 400.542 3.816 20 0 HHADRP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552420891 1012438088 /nfs/dbraw/zinc/43/80/88/1012438088.db2.gz YAOFOFDUAIEQIW-CZTZKLFOSA-N 2 0 419.560 3.913 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOc2ccccc2OC)CC1 ZINC000537109322 1012482204 /nfs/dbraw/zinc/48/22/04/1012482204.db2.gz IFIBSOQRBYODEJ-SFHVURJKSA-N 2 0 401.526 3.706 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000523866287 1012561984 /nfs/dbraw/zinc/56/19/84/1012561984.db2.gz HNTKBMWOBMIMBE-HXUWFJFHSA-N 2 0 424.589 3.652 20 0 HHADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000523905149 1012619391 /nfs/dbraw/zinc/61/93/91/1012619391.db2.gz KVFGXQFDTBPRSK-RUZDIDTESA-N 2 0 422.617 3.509 20 0 HHADRP CCCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCC ZINC000541760451 1012621669 /nfs/dbraw/zinc/62/16/69/1012621669.db2.gz GIMIQHNKZICKHZ-UHFFFAOYSA-N 2 0 403.611 3.724 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000541780781 1012650563 /nfs/dbraw/zinc/65/05/63/1012650563.db2.gz RXIJUBYGSCDMMA-DENIHFKCSA-N 2 0 416.610 3.594 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541915587 1012774153 /nfs/dbraw/zinc/77/41/53/1012774153.db2.gz RTAIOKZIVIBDEI-FPCALVHFSA-N 3 0 419.613 3.644 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915892 1012775293 /nfs/dbraw/zinc/77/52/93/1012775293.db2.gz FCPHYROYVWQFFE-UUOWRZLLSA-N 2 0 422.573 3.778 20 0 HHADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000541917859 1012776568 /nfs/dbraw/zinc/77/65/68/1012776568.db2.gz GITFKLJQZGWEJI-GUXMJAIHSA-N 2 0 419.569 3.566 20 0 HHADRP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000541918683 1012777747 /nfs/dbraw/zinc/77/77/47/1012777747.db2.gz JKABYYWDWKXXQO-QAPCUYQASA-N 2 0 404.938 3.775 20 0 HHADRP CCN1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(Br)cc3)CC2)CC1 ZINC000552813531 1012819734 /nfs/dbraw/zinc/81/97/34/1012819734.db2.gz ZCKCXWBIXLISDD-UHFFFAOYSA-N 2 0 422.411 3.604 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000542017660 1012908287 /nfs/dbraw/zinc/90/82/87/1012908287.db2.gz NNOCHDKUJRUDHH-GOSISDBHSA-N 2 0 403.567 3.619 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000542019011 1012910877 /nfs/dbraw/zinc/91/08/77/1012910877.db2.gz NATYCTSVZMRPFD-UHFFFAOYSA-N 2 0 403.574 3.907 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135681 1012919893 /nfs/dbraw/zinc/91/98/93/1012919893.db2.gz NXWIYMGSSHLPSO-XPNTWCBSSA-N 2 0 400.611 3.801 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000542051781 1012961623 /nfs/dbraw/zinc/96/16/23/1012961623.db2.gz NECFMWJDJKSUDR-QFIPXVFZSA-N 2 0 406.590 3.972 20 0 HHADRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542053283 1012965378 /nfs/dbraw/zinc/96/53/78/1012965378.db2.gz KWKYHRLDXNXVNY-XMYZLYQPSA-N 2 0 406.617 3.553 20 0 HHADRP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccsc2S1 ZINC000537485825 1012997119 /nfs/dbraw/zinc/99/71/19/1012997119.db2.gz GNRBPKPRITVVPE-SNRMKQJTSA-N 2 0 403.617 3.552 20 0 HHADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[C@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000570874844 1072400095 /nfs/dbraw/zinc/40/00/95/1072400095.db2.gz HOWZDBBDLMZKPV-HDICACEKSA-N 2 0 410.562 3.659 20 0 HHADRP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[C@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000570874846 1072400146 /nfs/dbraw/zinc/40/01/46/1072400146.db2.gz HOWZDBBDLMZKPV-ROUUACIJSA-N 2 0 410.562 3.659 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC[C@H]2CCOC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001168290795 1072449915 /nfs/dbraw/zinc/44/99/15/1072449915.db2.gz ZDEXFWYZCXCMOO-HDYDNRTBSA-N 2 0 409.615 3.645 20 0 HHADRP CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168318889 1072497258 /nfs/dbraw/zinc/49/72/58/1072497258.db2.gz HTIMFSITZUXHPY-UHFFFAOYSA-N 2 0 407.606 3.659 20 0 HHADRP CN(C)C(=O)C[C@H]1CC2(CC[NH+](C3CCC([NH+](C)C)CC3)CC2)Oc2ccccc21 ZINC001168321057 1072501276 /nfs/dbraw/zinc/50/12/76/1072501276.db2.gz CFUJSZSUEZCMAY-MWXLCCTBSA-N 2 0 413.606 3.738 20 0 HHADRP CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001691592988 1072507627 /nfs/dbraw/zinc/50/76/27/1072507627.db2.gz VCYUQTSZJLWZQV-NRFANRHFSA-N 2 0 402.631 3.587 20 0 HHADRP O=C1Nc2cc(Br)ccc2C12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378998 1072656404 /nfs/dbraw/zinc/65/64/04/1072656404.db2.gz ZMYIXOWOYGHJRI-UHFFFAOYSA-N 2 0 418.379 3.609 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000479409596 1072830869 /nfs/dbraw/zinc/83/08/69/1072830869.db2.gz FVSOIMCXUAZCBY-NZQKXSOJSA-N 2 0 400.611 3.975 20 0 HHADRP O[C@H](CNC1CC[NH+](CC2CC2)CC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001168362646 1072878045 /nfs/dbraw/zinc/87/80/45/1072878045.db2.gz AGDJAFNSDDYRTK-AREMUKBSSA-N 2 0 407.602 3.514 20 0 HHADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000554871901 1072917076 /nfs/dbraw/zinc/91/70/76/1072917076.db2.gz ZWCCQZAJIQJWGD-UMEGOILYSA-N 2 0 424.585 3.897 20 0 HHADRP CC[C@H](C)C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000554890760 1072929141 /nfs/dbraw/zinc/92/91/41/1072929141.db2.gz WFCVMJIYRZPHMG-INIZCTEOSA-N 2 0 400.380 3.684 20 0 HHADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000554881835 1072933596 /nfs/dbraw/zinc/93/35/96/1072933596.db2.gz FAJZCDVZDPAMOO-HXUWFJFHSA-N 2 0 404.618 3.767 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554981503 1073040678 /nfs/dbraw/zinc/04/06/78/1073040678.db2.gz BMMJIZWHBGLTCV-LJQANCHMSA-N 2 0 402.542 3.911 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000588709379 1073154944 /nfs/dbraw/zinc/15/49/44/1073154944.db2.gz AKMRXPOHFKZUNG-NCXUSEDFSA-N 2 0 422.013 3.727 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000588709511 1073155953 /nfs/dbraw/zinc/15/59/53/1073155953.db2.gz CBUFWLLZRMZQKJ-ZFGGDYGUSA-N 2 0 413.606 3.561 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710638 1073157111 /nfs/dbraw/zinc/15/71/11/1073157111.db2.gz KKVVEIRTLVANLV-YPAWHYETSA-N 2 0 415.622 3.633 20 0 HHADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000589078034 1073417566 /nfs/dbraw/zinc/41/75/66/1073417566.db2.gz VOLLKEYZKAAUJR-HXUWFJFHSA-N 2 0 415.419 3.660 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000590307848 1073740781 /nfs/dbraw/zinc/74/07/81/1073740781.db2.gz WCBPSLNTRLMECY-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000600428117 1073874714 /nfs/dbraw/zinc/87/47/14/1073874714.db2.gz VJQFFDYCTPUHBZ-IBGZPJMESA-N 2 0 403.636 3.866 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000600428127 1073875030 /nfs/dbraw/zinc/87/50/30/1073875030.db2.gz VJQFFDYCTPUHBZ-LJQANCHMSA-N 2 0 403.636 3.866 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000555959407 1074005812 /nfs/dbraw/zinc/00/58/12/1074005812.db2.gz XYINLZGDKNIYRG-CAOCKLPOSA-N 2 0 405.586 3.669 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000590797954 1074007537 /nfs/dbraw/zinc/00/75/37/1074007537.db2.gz JWODSMDWWFLIMR-IBGZPJMESA-N 2 0 418.379 3.758 20 0 HHADRP O=C(C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000573032932 1074067331 /nfs/dbraw/zinc/06/73/31/1074067331.db2.gz HQOWKSZFSWPYNN-QHCPKHFHSA-N 2 0 411.977 3.956 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000591426698 1074286214 /nfs/dbraw/zinc/28/62/14/1074286214.db2.gz OVDXLONTBXRLBF-FQEVSTJZSA-N 2 0 409.574 3.931 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591447748 1074303366 /nfs/dbraw/zinc/30/33/66/1074303366.db2.gz YGAJWRIHZZGBTL-HXUWFJFHSA-N 2 0 401.595 3.790 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591557810 1074406290 /nfs/dbraw/zinc/40/62/90/1074406290.db2.gz YDKYCDIHVVRKRQ-SFTDATJTSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000591559443 1074408656 /nfs/dbraw/zinc/40/86/56/1074408656.db2.gz OQBUKCIKVBIITG-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP CC[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000593500089 1075204806 /nfs/dbraw/zinc/20/48/06/1075204806.db2.gz LSINLJXYZBAQJB-HSZRJFAPSA-N 2 0 424.589 3.976 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000593502048 1075205286 /nfs/dbraw/zinc/20/52/86/1075205286.db2.gz OUOJYQUQJNZDTI-OAQYLSRUSA-N 2 0 414.550 3.959 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502579 1075205561 /nfs/dbraw/zinc/20/55/61/1075205561.db2.gz UJMDQAYRNKSMSV-UGKGYDQZSA-N 2 0 410.562 3.974 20 0 HHADRP CSC1(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC[NH+](C)CC1 ZINC000574330527 1075222155 /nfs/dbraw/zinc/22/21/55/1075222155.db2.gz VPVFYIWZOVRAAH-IBGZPJMESA-N 2 0 418.651 3.545 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000593809747 1075227725 /nfs/dbraw/zinc/22/77/25/1075227725.db2.gz NQVCJKZTQBJNLD-LOSJGSFVSA-N 2 0 414.553 3.667 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594276572 1075276806 /nfs/dbraw/zinc/27/68/06/1075276806.db2.gz VAISHJWHVTTZQL-NQIIRXRSSA-N 2 0 404.986 3.747 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594967956 1075389076 /nfs/dbraw/zinc/38/90/76/1075389076.db2.gz SNXFPIAPXFQJDC-QHCPKHFHSA-N 2 0 406.574 3.699 20 0 HHADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000595625429 1075494225 /nfs/dbraw/zinc/49/42/25/1075494225.db2.gz XNHLNEVHPJKNML-UHFFFAOYSA-N 2 0 403.611 3.530 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cn(-c4ccccc4)nc3-c3cccs3)C2)CC1 ZINC000602277352 1075725866 /nfs/dbraw/zinc/72/58/66/1075725866.db2.gz LEXJMWLNFPOORR-FQEVSTJZSA-N 2 0 421.614 3.859 20 0 HHADRP Clc1ncc2c(c1N1CCC[C@@H]3[NH2+]C[C@@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164447512 718998437 /nfs/dbraw/zinc/99/84/37/718998437.db2.gz CADODIVOIYTYHU-SFTDATJTSA-N 2 0 424.976 3.697 20 0 HHADRP Cc1c[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc1C ZINC001164681480 719679373 /nfs/dbraw/zinc/67/93/73/719679373.db2.gz LMZYBROEVKVVQI-NRFANRHFSA-N 2 0 420.601 3.792 20 0 HHADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)cs1 ZINC001164692190 719812663 /nfs/dbraw/zinc/81/26/63/719812663.db2.gz NMPUBISGTFCLKD-UHFFFAOYSA-N 2 0 418.010 3.781 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164713050 720129187 /nfs/dbraw/zinc/12/91/87/720129187.db2.gz PNIWFSAKQIHASK-QHCPKHFHSA-N 2 0 421.589 3.584 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164837087 720655984 /nfs/dbraw/zinc/65/59/84/720655984.db2.gz BOIXXYIYEVYEHP-QFIPXVFZSA-N 2 0 421.589 3.645 20 0 HHADRP Cc1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754497 720871047 /nfs/dbraw/zinc/87/10/47/720871047.db2.gz RYJDYAAFBJLMHS-NOZRDPDXSA-N 2 0 406.574 3.849 20 0 HHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)c2)CC1 ZINC001164796253 721507767 /nfs/dbraw/zinc/50/77/67/721507767.db2.gz QQCHXSWVQMMCRR-DVECYGJZSA-N 2 0 408.546 3.635 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000302989201 971439040 /nfs/dbraw/zinc/43/90/40/971439040.db2.gz FQIAWUHHWONEOD-HSZRJFAPSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172055 971541218 /nfs/dbraw/zinc/54/12/18/971541218.db2.gz VUVWDWCFUVKEMS-NQIIRXRSSA-N 2 0 411.512 3.679 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000303273835 971591864 /nfs/dbraw/zinc/59/18/64/971591864.db2.gz IDISNJLDXZWYAW-FQEVSTJZSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000303765696 972015775 /nfs/dbraw/zinc/01/57/75/972015775.db2.gz PNYRESSIYWBKCS-RBBKRZOGSA-N 2 0 409.574 3.752 20 0 HHADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621818 1013167313 /nfs/dbraw/zinc/16/73/13/1013167313.db2.gz IOZQAIQTHJANDA-DHLKQENFSA-N 2 0 422.617 3.735 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000537646637 1013207683 /nfs/dbraw/zinc/20/76/83/1013207683.db2.gz GCDZTLXROWZNOO-UHFFFAOYSA-N 2 0 406.521 3.925 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000537660067 1013220094 /nfs/dbraw/zinc/22/00/94/1013220094.db2.gz XGDXKXVMTOQTCV-QZTJIDSGSA-N 2 0 400.542 3.927 20 0 HHADRP Cc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316190 1013272706 /nfs/dbraw/zinc/27/27/06/1013272706.db2.gz PXOVGQLMDAAJSR-QPPBQGQZSA-N 2 0 405.586 3.954 20 0 HHADRP COc1ccc([C@@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)N2CCCCC2)cc1 ZINC000542320112 1013275729 /nfs/dbraw/zinc/27/57/29/1013275729.db2.gz UBWDGEHIMJZOCS-XMMPIXPASA-N 2 0 405.546 3.901 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553405261 1013332413 /nfs/dbraw/zinc/33/24/13/1013332413.db2.gz HJSQAQDLCXIOHT-QHCPKHFHSA-N 2 0 415.647 3.896 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774330 1013337162 /nfs/dbraw/zinc/33/71/62/1013337162.db2.gz LVKCXFPVFJIIMT-QHAWAJNXSA-N 2 0 415.626 3.696 20 0 HHADRP Cc1cc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475863 1013423532 /nfs/dbraw/zinc/42/35/32/1013423532.db2.gz MFLNEVJRUAIDQV-VWLOTQADSA-N 2 0 419.548 3.815 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000048712860 964036028 /nfs/dbraw/zinc/03/60/28/964036028.db2.gz BVZZGTOETCDVPT-SFHVURJKSA-N 2 0 404.002 3.567 20 0 HHADRP CCOC(=O)c1c(NC(=O)C[NH2+]C2(C3CC3)CC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000542522228 1013465634 /nfs/dbraw/zinc/46/56/34/1013465634.db2.gz RMVFMGPZXSYJJQ-UHFFFAOYSA-N 2 0 419.591 3.555 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccc1OC ZINC000537887615 1013469212 /nfs/dbraw/zinc/46/92/12/1013469212.db2.gz MVVOQMILBUXSMV-GMAHTHKFSA-N 2 0 409.574 3.942 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050137757 964275158 /nfs/dbraw/zinc/27/51/58/964275158.db2.gz FEBKIONNYQLJNB-HXUWFJFHSA-N 2 0 406.640 3.771 20 0 HHADRP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000025702325 964337907 /nfs/dbraw/zinc/33/79/07/964337907.db2.gz WFTZNZWJAZUVOB-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051189653 964488410 /nfs/dbraw/zinc/48/84/10/964488410.db2.gz BBULNDVZCJFOSZ-UHFFFAOYSA-N 2 0 416.013 3.791 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969023 1013545807 /nfs/dbraw/zinc/54/58/07/1013545807.db2.gz IQOAYOLLSNPHOK-BBWFWOEESA-N 2 0 405.974 3.769 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1sccc1Br ZINC000537968768 1013545897 /nfs/dbraw/zinc/54/58/97/1013545897.db2.gz VWKVEKZAQLXPLM-ZDUSSCGKSA-N 2 0 410.381 3.653 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000054037563 965366102 /nfs/dbraw/zinc/36/61/02/965366102.db2.gz NYOMGEMIRMDLNA-OALUTQOASA-N 2 0 400.523 3.536 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889434 965573316 /nfs/dbraw/zinc/57/33/16/965573316.db2.gz FUNRYFGAKMEPEU-VQTJNVASSA-N 2 0 401.595 3.849 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccs1 ZINC000054953248 965710159 /nfs/dbraw/zinc/71/01/59/965710159.db2.gz HEPOJWSFHWFEQQ-HXUWFJFHSA-N 2 0 400.592 3.836 20 0 HHADRP C[N@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105181 /nfs/dbraw/zinc/10/51/81/966105181.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 2 0 419.491 3.689 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000538059652 1013636669 /nfs/dbraw/zinc/63/66/69/1013636669.db2.gz DWIFJGCLHHLDIY-NRFANRHFSA-N 2 0 405.590 3.822 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000060798167 966293064 /nfs/dbraw/zinc/29/30/64/966293064.db2.gz UJFXOMIVROLMAE-UXHICEINSA-N 2 0 400.592 3.796 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000061070436 966364474 /nfs/dbraw/zinc/36/44/74/966364474.db2.gz ILIKLJDARPIDEO-JOCHJYFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000061521183 966487601 /nfs/dbraw/zinc/48/76/01/966487601.db2.gz RUCZVVCFSIFXJN-QHCPKHFHSA-N 2 0 400.611 3.838 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000056845672 966490582 /nfs/dbraw/zinc/49/05/82/966490582.db2.gz ASLQKOWVUPGJMU-UHFFFAOYSA-N 2 0 400.611 3.721 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542750840 1013659801 /nfs/dbraw/zinc/65/98/01/1013659801.db2.gz NYVHFBANXKQSIA-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061792592 966557049 /nfs/dbraw/zinc/55/70/49/966557049.db2.gz OKKZUXCTASBBMR-QFIPXVFZSA-N 2 0 412.603 3.702 20 0 HHADRP CC[C@@H](CNC(=O)NCc1cccc(C[N@H+](C)CC)c1)[NH+]1CCc2ccccc2C1 ZINC000061863532 966566337 /nfs/dbraw/zinc/56/63/37/966566337.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 2 0 408.590 3.774 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000061867552 966567519 /nfs/dbraw/zinc/56/75/19/966567519.db2.gz KJVMVUNSEHGQMJ-UHFFFAOYSA-N 2 0 408.590 3.980 20 0 HHADRP S=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145607 966761263 /nfs/dbraw/zinc/76/12/63/966761263.db2.gz YUUOUMOIVDEFJI-UHFFFAOYSA-N 2 0 422.642 3.911 20 0 HHADRP CC1CC[NH+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063148939 966762020 /nfs/dbraw/zinc/76/20/20/966762020.db2.gz HJIFEPLKVIFJJI-UHFFFAOYSA-N 2 0 402.652 3.627 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150789 966763934 /nfs/dbraw/zinc/76/39/34/966763934.db2.gz PSKFIBPHYJKWRO-IBGZPJMESA-N 2 0 402.652 3.626 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000553883008 1013675271 /nfs/dbraw/zinc/67/52/71/1013675271.db2.gz ZWBCFLBOIBZZPR-WIYYLYMNSA-N 2 0 419.013 3.820 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407918 966847192 /nfs/dbraw/zinc/84/71/92/966847192.db2.gz CGHUHNHTUJCYFG-FQEVSTJZSA-N 2 0 404.624 3.839 20 0 HHADRP CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441644 966858896 /nfs/dbraw/zinc/85/88/96/966858896.db2.gz JEDADEHMRGLZEV-UHFFFAOYSA-O 2 0 402.609 3.529 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000064237167 967100574 /nfs/dbraw/zinc/10/05/74/967100574.db2.gz QSNYBZKPCZHROR-GGAORHGYSA-N 2 0 400.611 3.943 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064251190 967105409 /nfs/dbraw/zinc/10/54/09/967105409.db2.gz NJAMNZUYTDLOCV-KDURUIRLSA-N 2 0 406.640 3.627 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542845520 1013705023 /nfs/dbraw/zinc/70/50/23/1013705023.db2.gz AZDGBEVDUDQUDO-HRAATJIYSA-N 2 0 408.571 3.931 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000542848288 1013707327 /nfs/dbraw/zinc/70/73/27/1013707327.db2.gz WWOWGQWSIVPEPS-NTKDMRAZSA-N 2 0 424.589 3.978 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064754453 967284247 /nfs/dbraw/zinc/28/42/47/967284247.db2.gz CGNMVQQGKKLFTQ-NRFANRHFSA-N 2 0 418.651 3.868 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000064755777 967284695 /nfs/dbraw/zinc/28/46/95/967284695.db2.gz PKUWFMZZPUOSET-HSALFYBXSA-N 2 0 406.640 3.627 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736055 /nfs/dbraw/zinc/73/60/55/1013736055.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 2 0 402.583 3.636 20 0 HHADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000538208811 1013762494 /nfs/dbraw/zinc/76/24/94/1013762494.db2.gz VUBAJPZVURZGDZ-LJQANCHMSA-N 2 0 400.588 3.862 20 0 HHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000554071684 1013784939 /nfs/dbraw/zinc/78/49/39/1013784939.db2.gz MHKBNQAJLGIIAS-QUCCMNQESA-N 2 0 400.485 3.757 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065893569 968703717 /nfs/dbraw/zinc/70/37/17/968703717.db2.gz HIUMIBHVOJBOEL-OAQYLSRUSA-N 2 0 415.528 3.767 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297549 1013833090 /nfs/dbraw/zinc/83/30/90/1013833090.db2.gz VECSQURACQLEPZ-CVDCTZTESA-N 2 0 405.542 3.649 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000071922976 968889271 /nfs/dbraw/zinc/88/92/71/968889271.db2.gz OBQNSAUFTJHWCC-HBMCJLEFSA-N 2 0 404.599 3.864 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000097549224 969157857 /nfs/dbraw/zinc/15/78/57/969157857.db2.gz TVXWIIZQHMUYKK-LOSJGSFVSA-N 2 0 405.586 3.579 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000108450934 969385807 /nfs/dbraw/zinc/38/58/07/969385807.db2.gz ZKYBROGQMJNBBD-FQEVSTJZSA-N 2 0 418.582 3.798 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109527928 969528980 /nfs/dbraw/zinc/52/89/80/969528980.db2.gz UQGWMEKZFDVZEE-QHCPKHFHSA-N 2 0 409.599 3.881 20 0 HHADRP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000110471920 969674156 /nfs/dbraw/zinc/67/41/56/969674156.db2.gz AFRISGWTSVNWHW-UHFFFAOYSA-N 2 0 407.558 3.873 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000110991377 969755468 /nfs/dbraw/zinc/75/54/68/969755468.db2.gz KBIKHEQQTLYYAN-BGYRXZFFSA-N 2 0 409.574 3.990 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000195746431 969998200 /nfs/dbraw/zinc/99/82/00/969998200.db2.gz SALDQYMLCWXCDR-RPWUZVMVSA-N 2 0 408.590 3.604 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000236630538 970148808 /nfs/dbraw/zinc/14/88/08/970148808.db2.gz BFVPVSCPBHXDIQ-UHFFFAOYSA-N 2 0 404.002 3.766 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000236947497 970192706 /nfs/dbraw/zinc/19/27/06/970192706.db2.gz LBUQNCAWXLWPRJ-FQEVSTJZSA-N 2 0 411.590 3.734 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000236952874 970194206 /nfs/dbraw/zinc/19/42/06/970194206.db2.gz QHJIOYBBIDFZSL-HXUWFJFHSA-N 2 0 410.606 3.641 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236977867 970199045 /nfs/dbraw/zinc/19/90/45/970199045.db2.gz ZYFULNMXMGMPJF-GOSISDBHSA-N 2 0 414.981 3.708 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)CC1 ZINC000237070670 970217371 /nfs/dbraw/zinc/21/73/71/970217371.db2.gz GIYYJPLGJKXDHR-JOCHJYFZSA-N 2 0 422.013 3.546 20 0 HHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000237083571 970219606 /nfs/dbraw/zinc/21/96/06/970219606.db2.gz YKFSRDGBBMIKOL-UHFFFAOYSA-N 2 0 417.601 3.634 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237163699 970233225 /nfs/dbraw/zinc/23/32/25/970233225.db2.gz ZTEANVIBMNKEEV-UHFFFAOYSA-N 2 0 418.029 3.565 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000237173044 970235789 /nfs/dbraw/zinc/23/57/89/970235789.db2.gz OTCYVFLGIDZRET-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000237177173 970236008 /nfs/dbraw/zinc/23/60/08/970236008.db2.gz CUGXDEAMKDXXTD-UHFFFAOYSA-N 2 0 413.468 3.806 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000145670613 970268658 /nfs/dbraw/zinc/26/86/58/970268658.db2.gz MKTNGMFTZFKRNJ-JOCHJYFZSA-N 2 0 411.615 3.989 20 0 HHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000237502827 970303249 /nfs/dbraw/zinc/30/32/49/970303249.db2.gz DVORCYBATYZAAH-FQEVSTJZSA-N 2 0 421.564 3.712 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575221 1013980714 /nfs/dbraw/zinc/98/07/14/1013980714.db2.gz BKPOTXYVJTWGTB-OFNKIYASSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237813285 970373061 /nfs/dbraw/zinc/37/30/61/970373061.db2.gz UDXQJJWOLCVVRT-GOSISDBHSA-N 2 0 411.377 3.814 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3)c2)C1 ZINC000237933677 970398078 /nfs/dbraw/zinc/39/80/78/970398078.db2.gz PHOUFSXAMDIAMC-SFHVURJKSA-N 2 0 406.357 3.981 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195606776 970549001 /nfs/dbraw/zinc/54/90/01/970549001.db2.gz WAANTTQRXPERKN-DNQXCXABSA-N 2 0 406.574 3.787 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000554706159 1014023015 /nfs/dbraw/zinc/02/30/15/1014023015.db2.gz ZRHGVRDVWRFYRB-OAQYLSRUSA-N 2 0 423.605 3.850 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397587031 972872062 /nfs/dbraw/zinc/87/20/62/972872062.db2.gz HUUDIFYQCWHVQN-GOSISDBHSA-N 2 0 417.391 3.997 20 0 HHADRP OC1(C[NH2+]Cc2ccc(Br)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397552815 972872078 /nfs/dbraw/zinc/87/20/78/972872078.db2.gz ZOWUHIPZZOJHQL-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000410229171 973726894 /nfs/dbraw/zinc/72/68/94/973726894.db2.gz YTTIHYDRJICXEN-HNNXBMFYSA-N 2 0 404.352 3.591 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000410316241 973859525 /nfs/dbraw/zinc/85/95/25/973859525.db2.gz YTRIRCAXOPRULB-UHFFFAOYSA-N 2 0 410.562 3.722 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000410347331 973935460 /nfs/dbraw/zinc/93/54/60/973935460.db2.gz AZNJVDDERIDKTD-RUZDIDTESA-N 2 0 420.601 3.992 20 0 HHADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000410407181 974006641 /nfs/dbraw/zinc/00/66/41/974006641.db2.gz OEYUOKHQOMUCLZ-UHFFFAOYSA-N 2 0 416.610 3.615 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)CCC(F)(F)F ZINC000425997798 974112233 /nfs/dbraw/zinc/11/22/33/974112233.db2.gz YXRBWTULZBAOGM-SFHVURJKSA-N 2 0 414.516 3.567 20 0 HHADRP CC[NH+](CC)CCN(C(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000426118657 974242203 /nfs/dbraw/zinc/24/22/03/974242203.db2.gz ZAFTVNJHRJWVSJ-UHFFFAOYSA-N 2 0 422.411 3.998 20 0 HHADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426129336 974251491 /nfs/dbraw/zinc/25/14/91/974251491.db2.gz UIIMSGCOKYQLEJ-UHFFFAOYSA-N 2 0 414.550 3.740 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000426149750 974267505 /nfs/dbraw/zinc/26/75/05/974267505.db2.gz CAJHTJNCCQBFDZ-UHFFFAOYSA-N 2 0 400.567 3.643 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000426770012 974647531 /nfs/dbraw/zinc/64/75/31/974647531.db2.gz NXSGZFCTMUPATQ-CALCHBBNSA-N 2 0 409.521 3.505 20 0 HHADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426789516 974660914 /nfs/dbraw/zinc/66/09/14/974660914.db2.gz VMXZNZHGYQSZIO-DNVFCKCGSA-N 2 0 417.594 3.624 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000426793887 974665121 /nfs/dbraw/zinc/66/51/21/974665121.db2.gz PQMIAEVAQAXLCV-IYWMVGAKSA-N 2 0 419.585 3.603 20 0 HHADRP CC[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000426796546 974666789 /nfs/dbraw/zinc/66/67/89/974666789.db2.gz BDRDKVOKVVOFJI-HXUWFJFHSA-N 2 0 424.427 3.992 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000426814346 974679899 /nfs/dbraw/zinc/67/98/99/974679899.db2.gz FKQCHYMVNPCEJH-ROUUACIJSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1Cl ZINC000426837775 974701694 /nfs/dbraw/zinc/70/16/94/974701694.db2.gz YVSRUJFGUWPWDA-GUDVDZBRSA-N 2 0 422.013 3.729 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000428245032 975562057 /nfs/dbraw/zinc/56/20/57/975562057.db2.gz ZYXHSPIMQQKUSE-ISJGIBHGSA-N 2 0 420.601 3.699 20 0 HHADRP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000428532975 975827891 /nfs/dbraw/zinc/82/78/91/975827891.db2.gz HXFWAWOTIFXUOU-CJFMBICVSA-N 2 0 421.585 3.535 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428650429 975951541 /nfs/dbraw/zinc/95/15/41/975951541.db2.gz OXYOKYHMWKRALE-BGYRXZFFSA-N 2 0 412.622 3.838 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428914113 976215270 /nfs/dbraw/zinc/21/52/70/976215270.db2.gz XYNQQZDOJPQMQZ-XMSQKQJNSA-N 2 0 412.553 3.740 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCC[NH+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234044 /nfs/dbraw/zinc/23/40/44/976234044.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 2 0 422.658 3.562 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960900 976249755 /nfs/dbraw/zinc/24/97/55/976249755.db2.gz FDDQCDGGZKFTPJ-SANMLTNESA-N 2 0 423.601 3.626 20 0 HHADRP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439661 976717709 /nfs/dbraw/zinc/71/77/09/976717709.db2.gz FMYDQOSZZHNNNW-PXDATVDWSA-N 2 0 411.590 3.569 20 0 HHADRP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439658 976718037 /nfs/dbraw/zinc/71/80/37/976718037.db2.gz FMYDQOSZZHNNNW-OFVILXPXSA-N 2 0 411.590 3.569 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H](C)C1 ZINC000429457597 976731831 /nfs/dbraw/zinc/73/18/31/976731831.db2.gz UZFGGXDZLRDIOZ-ZNEWLNCYSA-N 2 0 406.586 3.626 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508313 976764264 /nfs/dbraw/zinc/76/42/64/976764264.db2.gz MXEZSQNWEBBJJD-HSZRJFAPSA-N 2 0 414.638 3.833 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678933 976975690 /nfs/dbraw/zinc/97/56/90/976975690.db2.gz BLPJKEPHOIHEND-CLJLJLNGSA-N 2 0 407.602 3.731 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074783 /nfs/dbraw/zinc/07/47/83/977074783.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 0 409.574 3.544 20 0 HHADRP CC[NH+]1CCN(c2cccc(NCc3ccccc3N(C)C3CC[NH+](C)CC3)c2)CC1 ZINC000430013881 977271795 /nfs/dbraw/zinc/27/17/95/977271795.db2.gz YHMDMXBJHWMRQY-UHFFFAOYSA-N 2 0 421.633 3.971 20 0 HHADRP C[C@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000430236858 977410811 /nfs/dbraw/zinc/41/08/11/977410811.db2.gz CDAVKIDFLBTXOL-UWDQQESISA-N 2 0 412.622 3.993 20 0 HHADRP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430911946 977880612 /nfs/dbraw/zinc/88/06/12/977880612.db2.gz JOVVFEIIKHWIPS-FQEVSTJZSA-N 2 0 414.638 3.704 20 0 HHADRP CC(C)N(C(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430937144 977900768 /nfs/dbraw/zinc/90/07/68/977900768.db2.gz ZLQXOPZBAQMNKQ-UHFFFAOYSA-N 2 0 414.638 3.556 20 0 HHADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430955562 977911580 /nfs/dbraw/zinc/91/15/80/977911580.db2.gz ZEVBHHYMWKHXQL-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431144752 978047451 /nfs/dbraw/zinc/04/74/51/978047451.db2.gz ULGDLFQUUBWFJC-UHFFFAOYSA-N 2 0 424.593 3.553 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000431652757 978412475 /nfs/dbraw/zinc/41/24/75/978412475.db2.gz WMKMOOMHGOLHGN-URXFXBBRSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677701 978430495 /nfs/dbraw/zinc/43/04/95/978430495.db2.gz FGCGIHFWFKHZTK-UNMCSNQZSA-N 2 0 424.589 3.939 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431689629 978437406 /nfs/dbraw/zinc/43/74/06/978437406.db2.gz YYCFLGJWZFNOES-XUZZJYLKSA-N 2 0 408.590 3.813 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1OC ZINC000432025597 978651519 /nfs/dbraw/zinc/65/15/19/978651519.db2.gz PTKCYHSBHYDKEW-UHFFFAOYSA-N 2 0 418.582 3.554 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000432074806 978670181 /nfs/dbraw/zinc/67/01/81/978670181.db2.gz HQEKKQCPSCKBQU-HSZRJFAPSA-N 2 0 419.573 3.531 20 0 HHADRP COC(=O)c1cc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821265 978985040 /nfs/dbraw/zinc/98/50/40/978985040.db2.gz WLHDZRQPIPRPCU-QGZVFWFLSA-N 2 0 405.583 3.564 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824441 978985704 /nfs/dbraw/zinc/98/57/04/978985704.db2.gz SYGYEGLSEZMZKM-MFYODDQASA-N 2 0 414.590 3.697 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000432873593 978997962 /nfs/dbraw/zinc/99/79/62/978997962.db2.gz UJVYLUPYGTUOKJ-IAGOWNOFSA-N 2 0 417.491 3.625 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432942715 979017960 /nfs/dbraw/zinc/01/79/60/979017960.db2.gz HROCSUGJOZBRSQ-LJQANCHMSA-N 2 0 408.384 3.608 20 0 HHADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCOc2ccccc21 ZINC000433166428 979111344 /nfs/dbraw/zinc/11/13/44/979111344.db2.gz KRSWXRGLRXNDGT-UHFFFAOYSA-N 2 0 419.569 3.790 20 0 HHADRP C[C@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000433270369 979204682 /nfs/dbraw/zinc/20/46/82/979204682.db2.gz DFXBGHDSJYINGX-HXUWFJFHSA-N 2 0 414.594 3.889 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433366008 979257874 /nfs/dbraw/zinc/25/78/74/979257874.db2.gz NJVJQSNAULLCAQ-IIBYNOLFSA-N 2 0 403.929 3.964 20 0 HHADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000434313605 980074346 /nfs/dbraw/zinc/07/43/46/980074346.db2.gz AVBAWMFHGXLFTB-RBBKRZOGSA-N 2 0 409.578 3.842 20 0 HHADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322474 980085795 /nfs/dbraw/zinc/08/57/95/980085795.db2.gz VTWOPRRZAGCDKE-QHCPKHFHSA-N 2 0 417.557 3.952 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435634535 980968617 /nfs/dbraw/zinc/96/86/17/980968617.db2.gz DECGATQVDKLHRG-QFIPXVFZSA-N 2 0 403.530 3.644 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435752640 981016145 /nfs/dbraw/zinc/01/61/45/981016145.db2.gz YYJWXWHMNNBPIF-QFIPXVFZSA-N 2 0 413.610 3.665 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000435787366 981031072 /nfs/dbraw/zinc/03/10/72/981031072.db2.gz MKHCTWCENMEXII-UHFFFAOYSA-N 2 0 415.585 3.887 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000436276145 981280831 /nfs/dbraw/zinc/28/08/31/981280831.db2.gz RUHFQCIPHVFAOV-WOJBJXKFSA-N 2 0 422.548 3.970 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000436369018 981330408 /nfs/dbraw/zinc/33/04/08/981330408.db2.gz ULUHRMYWILSOSV-QRVBRYPASA-N 2 0 400.567 3.701 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212839 981627093 /nfs/dbraw/zinc/62/70/93/981627093.db2.gz MEQYXFXDBNBHBM-NNMXDRDESA-N 2 0 416.635 3.618 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000448461318 981794539 /nfs/dbraw/zinc/79/45/39/981794539.db2.gz KJRGVICNCPNJFD-NZQKXSOJSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000460161206 981934067 /nfs/dbraw/zinc/93/40/67/981934067.db2.gz KXDWLJSMDXXAOV-JWQCQUIFSA-N 2 0 420.601 3.802 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000460168606 981940235 /nfs/dbraw/zinc/94/02/35/981940235.db2.gz JFWARCDXLPDZBQ-GMKZXUHWSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000460403538 982184833 /nfs/dbraw/zinc/18/48/33/982184833.db2.gz ROJQMABVCUNKCE-PKTZIBPZSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000437729012 982322331 /nfs/dbraw/zinc/32/23/31/982322331.db2.gz GAPIBSAZHGOMHV-PMACEKPBSA-N 2 0 402.583 3.745 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347265 /nfs/dbraw/zinc/34/72/65/982347265.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 2 0 418.585 3.595 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460658017 982428845 /nfs/dbraw/zinc/42/88/45/982428845.db2.gz RTWZTFNVCQIHMV-KELGSRBJSA-N 2 0 424.633 3.803 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000437945628 982478144 /nfs/dbraw/zinc/47/81/44/982478144.db2.gz CWNDSESSVFBDOQ-OAHLLOKOSA-N 2 0 404.452 3.724 20 0 HHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000460961731 982692746 /nfs/dbraw/zinc/69/27/46/982692746.db2.gz WLEILSSWTLLOOZ-OAQYLSRUSA-N 2 0 415.626 3.905 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987512 982709656 /nfs/dbraw/zinc/70/96/56/982709656.db2.gz AIHQFEXPNMJAMX-OALUTQOASA-N 2 0 400.394 3.829 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348439 982737096 /nfs/dbraw/zinc/73/70/96/982737096.db2.gz XLWIKHURNJUQQJ-NRFANRHFSA-N 2 0 402.583 3.683 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438482354 982829704 /nfs/dbraw/zinc/82/97/04/982829704.db2.gz YBCVXSSISGOXMZ-LVXARBLLSA-N 2 0 405.586 3.819 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438847389 983114287 /nfs/dbraw/zinc/11/42/87/983114287.db2.gz CTXRCEZWMTVIKL-GBXCKJPGSA-N 2 0 421.589 3.571 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000438961668 983180010 /nfs/dbraw/zinc/18/00/10/983180010.db2.gz BERBYTRYHRVGKM-FQEVSTJZSA-N 2 0 423.605 3.948 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438965968 983183315 /nfs/dbraw/zinc/18/33/15/983183315.db2.gz LUDCDSLNHITOFR-FQEVSTJZSA-N 2 0 423.605 3.948 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000439083213 983242203 /nfs/dbraw/zinc/24/22/03/983242203.db2.gz GGNSQLMRSNNIFV-CYFREDJKSA-N 2 0 424.589 3.683 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000439203971 983309244 /nfs/dbraw/zinc/30/92/44/983309244.db2.gz ZBFSDLBJOOEAFN-HXUWFJFHSA-N 2 0 421.589 3.702 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000439214314 983313670 /nfs/dbraw/zinc/31/36/70/983313670.db2.gz SJXTTZPHYCTIJM-IBGZPJMESA-N 2 0 409.578 3.558 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000439728752 983517096 /nfs/dbraw/zinc/51/70/96/983517096.db2.gz DSSQHFZCPCROJN-FQEVSTJZSA-N 2 0 406.574 3.635 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756935 983526518 /nfs/dbraw/zinc/52/65/18/983526518.db2.gz MHWIRZRWXYTKCW-KNQAVFIVSA-N 2 0 424.564 3.775 20 0 HHADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2ccccc2c1 ZINC000439941338 983589193 /nfs/dbraw/zinc/58/91/93/983589193.db2.gz YFISSLMXQHEJSX-FQEVSTJZSA-N 2 0 402.542 3.667 20 0 HHADRP c1nc(-c2ccncc2)sc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000440325879 983722492 /nfs/dbraw/zinc/72/24/92/983722492.db2.gz JILJKCYLHHEHOZ-UHFFFAOYSA-N 2 0 407.587 3.503 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1(C)C ZINC000441332998 984190115 /nfs/dbraw/zinc/19/01/15/984190115.db2.gz LIRXIEBRVRUSMA-UHFFFAOYSA-N 2 0 421.564 3.794 20 0 HHADRP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC[C@H]1CCCC[NH+]1C ZINC000441356767 984204935 /nfs/dbraw/zinc/20/49/35/984204935.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 2 0 400.336 3.723 20 0 HHADRP CC(CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394631 984227888 /nfs/dbraw/zinc/22/78/88/984227888.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 2 0 414.682 3.520 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000441521429 984301184 /nfs/dbraw/zinc/30/11/84/984301184.db2.gz HXXAQHIGOPEFFV-RVMZIBIISA-N 2 0 412.622 3.805 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441630217 984363988 /nfs/dbraw/zinc/36/39/88/984363988.db2.gz XULSZRPVAFZLKK-GVUKDKGQSA-N 2 0 408.586 3.895 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000461721064 984737013 /nfs/dbraw/zinc/73/70/13/984737013.db2.gz GAICGVQVIUBMJP-ZJSXRUAMSA-N 2 0 423.605 3.598 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000442240901 984762153 /nfs/dbraw/zinc/76/21/53/984762153.db2.gz JAVDEKPFVKZHFZ-RQJJNDFQSA-N 2 0 400.611 3.801 20 0 HHADRP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)[NH+](CC)CC ZINC000461886515 984910149 /nfs/dbraw/zinc/91/01/49/984910149.db2.gz VRZDQCQDLSUNAZ-VWLOTQADSA-N 2 0 422.617 3.745 20 0 HHADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000462515256 985465972 /nfs/dbraw/zinc/46/59/72/985465972.db2.gz WVLPFSFPAKDHIT-CTNGQTDRSA-N 2 0 418.651 3.508 20 0 HHADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000467980527 985625448 /nfs/dbraw/zinc/62/54/48/985625448.db2.gz ZCIXFDIJGGGPMO-GGAORHGYSA-N 2 0 413.606 3.706 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687607 985627418 /nfs/dbraw/zinc/62/74/18/985627418.db2.gz SDJGLGSSJNUORS-HYBUGGRVSA-N 2 0 406.574 3.602 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800508 985733030 /nfs/dbraw/zinc/73/30/30/985733030.db2.gz FTZNBUFUXOGPKO-BJKOFHAPSA-N 2 0 403.586 3.832 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088896 /nfs/dbraw/zinc/08/88/96/986088896.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 2 0 405.602 3.559 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)c2)C1 ZINC000468429568 986127782 /nfs/dbraw/zinc/12/77/82/986127782.db2.gz QCKOMILIRVIWLB-ISJGIBHGSA-N 2 0 405.586 3.885 20 0 HHADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000463189733 986161655 /nfs/dbraw/zinc/16/16/55/986161655.db2.gz KPJINYNAMUJVFK-GGLXGSTNSA-N 2 0 407.602 3.512 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246874 986215018 /nfs/dbraw/zinc/21/50/18/986215018.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 2 0 419.613 3.655 20 0 HHADRP Fc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303244 986270740 /nfs/dbraw/zinc/27/07/40/986270740.db2.gz QQFWESJJDOQJAU-VGPBXHGJSA-N 2 0 423.576 3.984 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1)N1CC[NH+](C)CC1 ZINC000468635719 986352058 /nfs/dbraw/zinc/35/20/58/986352058.db2.gz SMXDPKSVDNZPCG-QGZVFWFLSA-N 2 0 418.379 3.967 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444236752 986425941 /nfs/dbraw/zinc/42/59/41/986425941.db2.gz JLMRDNBASFIIHV-XWSHUIEDSA-N 2 0 409.578 3.838 20 0 HHADRP Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444236751 986426025 /nfs/dbraw/zinc/42/60/25/986426025.db2.gz JLMRDNBASFIIHV-JBPLPALLSA-N 2 0 409.578 3.838 20 0 HHADRP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000463447632 986427622 /nfs/dbraw/zinc/42/76/22/986427622.db2.gz ZQVGRUYCIZJGGB-VQTJNVASSA-N 2 0 411.384 3.671 20 0 HHADRP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468861364 986570398 /nfs/dbraw/zinc/57/03/98/986570398.db2.gz FEKJRAIMNHDMHK-PFRQMTDMSA-N 2 0 405.384 3.780 20 0 HHADRP CCc1ccc(-c2ccc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000463625663 986601553 /nfs/dbraw/zinc/60/15/53/986601553.db2.gz WZARLNVACLVQPK-UHFFFAOYSA-N 2 0 418.541 3.846 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000469081738 986794461 /nfs/dbraw/zinc/79/44/61/986794461.db2.gz VBJCKRWYAUPNKP-UHFFFAOYSA-N 2 0 423.948 3.672 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469696475 987354416 /nfs/dbraw/zinc/35/44/16/987354416.db2.gz VXKRKYDUWDQNDL-HXUWFJFHSA-N 2 0 400.526 3.984 20 0 HHADRP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000469779496 987426919 /nfs/dbraw/zinc/42/69/19/987426919.db2.gz JLFMZIPQNLHTQL-VXKWHMMOSA-N 2 0 403.636 3.730 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469987530 987604092 /nfs/dbraw/zinc/60/40/92/987604092.db2.gz RMSBTPHECLFWFI-UHFFFAOYSA-N 2 0 416.525 3.652 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067621 987963471 /nfs/dbraw/zinc/96/34/71/987963471.db2.gz SNQUHYCKWLBWGT-APWZRJJASA-N 2 0 414.516 3.728 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470189805 988107353 /nfs/dbraw/zinc/10/73/53/988107353.db2.gz YYJRYHDKKDOQEV-MJGOQNOKSA-N 2 0 412.500 3.624 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229111 988162090 /nfs/dbraw/zinc/16/20/90/988162090.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 2 0 423.523 3.631 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470274559 988227719 /nfs/dbraw/zinc/22/77/19/988227719.db2.gz KUPIMYAYBRQJOR-HNAYVOBHSA-N 2 0 414.516 3.680 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470280707 988235658 /nfs/dbraw/zinc/23/56/58/988235658.db2.gz QORIQUWIAAOZFV-IBGZPJMESA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287008 988244063 /nfs/dbraw/zinc/24/40/63/988244063.db2.gz XUNASMJNLPZOTK-APWZRJJASA-N 2 0 414.516 3.585 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[C@H](C)C1 ZINC000470287091 988244103 /nfs/dbraw/zinc/24/41/03/988244103.db2.gz YBNYAECXPMJPBS-MNEFBYGVSA-N 2 0 414.516 3.680 20 0 HHADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470472493 988460237 /nfs/dbraw/zinc/46/02/37/988460237.db2.gz GOBUWCDXNRYQJE-SFTDATJTSA-N 2 0 418.626 3.604 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000470748427 988789452 /nfs/dbraw/zinc/78/94/52/988789452.db2.gz WNNWFYUNFHKNQT-PQNGQFLHSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470752808 988794577 /nfs/dbraw/zinc/79/45/77/988794577.db2.gz BOMRCQRQXCTCRW-GBXCKJPGSA-N 2 0 412.622 3.934 20 0 HHADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768942 988992156 /nfs/dbraw/zinc/99/21/56/988992156.db2.gz CPOWRDYQTIVXKW-FCHUYYIVSA-N 2 0 403.636 3.635 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830836 989071424 /nfs/dbraw/zinc/07/14/24/989071424.db2.gz MPJWFGCNURPBCP-UXHICEINSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000464953960 989249671 /nfs/dbraw/zinc/24/96/71/989249671.db2.gz QMILYXIWNXVWBC-NFBKMPQASA-N 2 0 400.611 3.696 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471474743 989671268 /nfs/dbraw/zinc/67/12/68/989671268.db2.gz DSAQLRKARYSVDK-VXKWHMMOSA-N 2 0 410.562 3.628 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471479706 989676563 /nfs/dbraw/zinc/67/65/63/989676563.db2.gz IDJLBFKBPGYXGB-ZRBLBEILSA-N 2 0 422.573 3.580 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000471520506 989720058 /nfs/dbraw/zinc/72/00/58/989720058.db2.gz FLHRGPMKYJWWGL-XMMPIXPASA-N 2 0 408.590 3.850 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000465405780 989753071 /nfs/dbraw/zinc/75/30/71/989753071.db2.gz MGJGQJSSQIXTHC-GOTSBHOMSA-N 2 0 424.589 3.970 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000465413992 989760399 /nfs/dbraw/zinc/76/03/99/989760399.db2.gz UDEJXJZUUQVDAT-LEWJYISDSA-N 2 0 414.619 3.904 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+]2CCCCC2)cc1 ZINC000465414476 989761310 /nfs/dbraw/zinc/76/13/10/989761310.db2.gz UAAXPWBGJFOSFQ-FYYLOGMGSA-N 2 0 416.610 3.738 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000465423901 989767747 /nfs/dbraw/zinc/76/77/47/989767747.db2.gz AWYCHIVIWOFIEN-OFNKIYASSA-N 2 0 412.553 3.592 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(F)c1 ZINC000465436235 989781597 /nfs/dbraw/zinc/78/15/97/989781597.db2.gz VDNNLCITTCDJBT-QFUCXCTJSA-N 2 0 418.582 3.872 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000465440838 989785245 /nfs/dbraw/zinc/78/52/45/989785245.db2.gz IGLYZZSORXRVMH-HXUWFJFHSA-N 2 0 400.611 3.849 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000465457590 989797535 /nfs/dbraw/zinc/79/75/35/989797535.db2.gz XCYXDKICLUCPHI-VWNXMTODSA-N 2 0 408.590 3.843 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471616077 989820964 /nfs/dbraw/zinc/82/09/64/989820964.db2.gz BJEDAHHZPVXTNA-XPNTWCBSSA-N 2 0 400.611 3.566 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471617363 989821833 /nfs/dbraw/zinc/82/18/33/989821833.db2.gz GBRZTVMWLIYQQM-KOVSNXQUSA-N 2 0 412.622 3.518 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491656 989840136 /nfs/dbraw/zinc/84/01/36/989840136.db2.gz VCKBLSUAHDTAHA-UNMCSNQZSA-N 2 0 404.599 3.594 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528959 989887851 /nfs/dbraw/zinc/88/78/51/989887851.db2.gz UXCWELJHVWUBGE-LEWJYISDSA-N 2 0 407.002 3.993 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000465533146 989894427 /nfs/dbraw/zinc/89/44/27/989894427.db2.gz JFWPFHVLYBFUBG-KVSKMBFKSA-N 2 0 406.621 3.795 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465534233 989895763 /nfs/dbraw/zinc/89/57/63/989895763.db2.gz PDGILSKUPZAVLE-HMCFTDRDSA-N 2 0 412.622 3.979 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713554 989912226 /nfs/dbraw/zinc/91/22/26/989912226.db2.gz FYPCQZDZMFGVRQ-ZPQVWODMSA-N 2 0 418.548 3.601 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734042 989930098 /nfs/dbraw/zinc/93/00/98/989930098.db2.gz FHJUIFCJOMJUPC-ZLPCBKJTSA-N 2 0 418.548 3.601 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCCC1 ZINC000465646867 990033176 /nfs/dbraw/zinc/03/31/76/990033176.db2.gz SYJKNWIURDUAGE-OAQYLSRUSA-N 2 0 416.610 3.566 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000465650847 990037085 /nfs/dbraw/zinc/03/70/85/990037085.db2.gz DATHXGFQGIJJML-RTBURBONSA-N 2 0 400.567 3.860 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000471866681 990038474 /nfs/dbraw/zinc/03/84/74/990038474.db2.gz WJXRILCDMLIWOG-HSZRJFAPSA-N 2 0 416.610 3.740 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745800 990131115 /nfs/dbraw/zinc/13/11/15/990131115.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 2 0 420.601 3.985 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465784593 990166998 /nfs/dbraw/zinc/16/69/98/990166998.db2.gz QBWZZAAHWVSYAG-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)(C)Oc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000465808537 990191215 /nfs/dbraw/zinc/19/12/15/990191215.db2.gz IYOYUSUUQHTZIC-UHFFFAOYSA-N 2 0 411.550 3.593 20 0 HHADRP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872570 990986420 /nfs/dbraw/zinc/98/64/20/990986420.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 2 0 408.590 3.670 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000465913946 991045366 /nfs/dbraw/zinc/04/53/66/991045366.db2.gz YNDHWCWLTFMXRD-PXNSSMCTSA-N 2 0 407.002 3.676 20 0 HHADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)s1 ZINC000465939288 991076676 /nfs/dbraw/zinc/07/66/76/991076676.db2.gz RVBORJOETZLPGN-HZPDHXFCSA-N 2 0 401.020 3.910 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466299161 991550710 /nfs/dbraw/zinc/55/07/10/991550710.db2.gz SJYUFXKSZVDTGP-HXUWFJFHSA-N 2 0 406.640 3.866 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466437291 991725946 /nfs/dbraw/zinc/72/59/46/991725946.db2.gz AEWVOCQNRBJSFX-YKSBVNFPSA-N 2 0 406.574 3.745 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)c2)C1 ZINC000466467015 991757050 /nfs/dbraw/zinc/75/70/50/991757050.db2.gz SXRDXAQIEIIDHN-AJPWXKBRSA-N 2 0 411.512 3.842 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466535603 991836712 /nfs/dbraw/zinc/83/67/12/991836712.db2.gz GSIPPHHJZFMKKV-HYBUGGRVSA-N 2 0 408.590 3.943 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000466705992 992019386 /nfs/dbraw/zinc/01/93/86/992019386.db2.gz IQBIDSASENAQEF-HXUWFJFHSA-N 2 0 411.590 3.840 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797703 992104260 /nfs/dbraw/zinc/10/42/60/992104260.db2.gz XICPTBNSZRPYIN-GBXCKJPGSA-N 2 0 408.590 3.501 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466863739 992183733 /nfs/dbraw/zinc/18/37/33/992183733.db2.gz QETPGVXQMHGISU-VWLOTQADSA-N 2 0 422.617 3.844 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000467085814 992391917 /nfs/dbraw/zinc/39/19/17/992391917.db2.gz QCZPFSWKGACLEA-UHFFFAOYSA-N 2 0 422.617 3.844 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314329 992637039 /nfs/dbraw/zinc/63/70/39/992637039.db2.gz UOTPHXMUKFBTMY-OFVILXPXSA-N 2 0 403.574 3.902 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000467354623 992673018 /nfs/dbraw/zinc/67/30/18/992673018.db2.gz NDBXOQVHSAPDSM-SMIHKQSGSA-N 2 0 420.601 3.903 20 0 HHADRP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467361877 992680493 /nfs/dbraw/zinc/68/04/93/992680493.db2.gz KJWZQGRKTWBAQQ-ICDZXHCJSA-N 2 0 403.570 3.575 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccnn3-c3ccccc3)cc2)CC1 ZINC000467388603 992702085 /nfs/dbraw/zinc/70/20/85/992702085.db2.gz MJHGWWALYDUVER-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000472096250 993146446 /nfs/dbraw/zinc/14/64/46/993146446.db2.gz RTJUNYYHNSJEAM-OAQYLSRUSA-N 2 0 400.611 3.936 20 0 HHADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480718089 993586212 /nfs/dbraw/zinc/58/62/12/993586212.db2.gz UOYFUHANRQSZSR-OAQYLSRUSA-N 2 0 410.606 3.812 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC000480721568 993589492 /nfs/dbraw/zinc/58/94/92/993589492.db2.gz NDZCNEWTAJVFTC-SVMVAKDDSA-N 2 0 402.583 3.758 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472678195 993600185 /nfs/dbraw/zinc/60/01/85/993600185.db2.gz NYYQVFKYPJHADM-QFIPXVFZSA-N 2 0 407.558 3.752 20 0 HHADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000480745176 993612713 /nfs/dbraw/zinc/61/27/13/993612713.db2.gz NAMMGTHGNWDWQU-FQEVSTJZSA-N 2 0 403.574 3.902 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480768398 993633786 /nfs/dbraw/zinc/63/37/86/993633786.db2.gz GMODFMCJHJDOEJ-KRWDZBQOSA-N 2 0 402.608 3.805 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783427 993650815 /nfs/dbraw/zinc/65/08/15/993650815.db2.gz ZZYQYXLUMPCFBY-OFVILXPXSA-N 2 0 403.574 3.902 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000472765202 993704909 /nfs/dbraw/zinc/70/49/09/993704909.db2.gz CFQDNHUYTMKDBB-OAQYLSRUSA-N 2 0 423.605 3.861 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cnn1-c1ccc(F)cc1 ZINC000480906295 993762067 /nfs/dbraw/zinc/76/20/67/993762067.db2.gz IAEYEYHECBCSCN-IBGZPJMESA-N 2 0 421.564 3.918 20 0 HHADRP CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000481036853 993881124 /nfs/dbraw/zinc/88/11/24/993881124.db2.gz OCLPWLMNBFNTPW-SIKLNZKXSA-N 2 0 403.636 3.763 20 0 HHADRP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481058368 993899304 /nfs/dbraw/zinc/89/93/04/993899304.db2.gz OBHJWYMYANADEL-KRWDZBQOSA-N 2 0 401.551 3.719 20 0 HHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000481252905 994077651 /nfs/dbraw/zinc/07/76/51/994077651.db2.gz HRTGEIUMPFPUAP-IRLDBZIGSA-N 2 0 412.553 3.797 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000481304062 994120046 /nfs/dbraw/zinc/12/00/46/994120046.db2.gz XQGVGMIDZKDHIH-GHTZIAJQSA-N 2 0 413.566 3.672 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329575 994149043 /nfs/dbraw/zinc/14/90/43/994149043.db2.gz IBPZUPNOUDBTCP-XXBNENTESA-N 2 0 409.578 3.641 20 0 HHADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331582 994151464 /nfs/dbraw/zinc/15/14/64/994151464.db2.gz HLXYNLQBXWXWCZ-RTBURBONSA-N 2 0 403.592 3.637 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000481408182 994242505 /nfs/dbraw/zinc/24/25/05/994242505.db2.gz RPRAVBVMTSHSAV-HNAYVOBHSA-N 2 0 401.364 3.857 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473517084 994370642 /nfs/dbraw/zinc/37/06/42/994370642.db2.gz GVFUEKJSYTWPOS-XVAXZDLZSA-N 2 0 423.523 3.963 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473530025 994387474 /nfs/dbraw/zinc/38/74/74/994387474.db2.gz QLQWPBIOJVXTFX-DMKPSLHHSA-N 2 0 401.517 3.563 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561617 994396501 /nfs/dbraw/zinc/39/65/01/994396501.db2.gz KQYXNJLICTUGFS-AGHHOFFYSA-N 2 0 422.491 3.945 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473554125 994416704 /nfs/dbraw/zinc/41/67/04/994416704.db2.gz RFWMESWWCRTCFO-FQEVSTJZSA-N 2 0 401.570 3.951 20 0 HHADRP COc1cc(C)c(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000481674801 994534795 /nfs/dbraw/zinc/53/47/95/994534795.db2.gz KCAQLMVDXKNEKO-UHFFFAOYSA-N 2 0 420.573 3.803 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718492 994579284 /nfs/dbraw/zinc/57/92/84/994579284.db2.gz PZDDKWCLEZIIGB-HFZDXXHNSA-N 2 0 422.617 3.802 20 0 HHADRP CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000481835937 994688051 /nfs/dbraw/zinc/68/80/51/994688051.db2.gz IUBQGWVYJWCHHV-LJQANCHMSA-N 2 0 424.427 3.691 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829625 994760781 /nfs/dbraw/zinc/76/07/81/994760781.db2.gz MEGNZLYUACHFQS-DEOSSOPVSA-N 2 0 421.589 3.567 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccccc3C[N@H+](C)C(C)C)c2)CC1 ZINC000473832425 994763949 /nfs/dbraw/zinc/76/39/49/994763949.db2.gz ZOVZKUDSWQFXDD-UHFFFAOYSA-N 2 0 423.605 3.990 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)c2)CC1 ZINC000473838240 994772572 /nfs/dbraw/zinc/77/25/72/994772572.db2.gz UXSGYLZGYMGOGH-UHFFFAOYSA-N 2 0 413.610 3.747 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920953 994793141 /nfs/dbraw/zinc/79/31/41/994793141.db2.gz KMTAZIBDTPSPHV-HXUWFJFHSA-N 2 0 424.010 3.941 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474013783 995004021 /nfs/dbraw/zinc/00/40/21/995004021.db2.gz UXWXPKCXKKCFGG-SFHVURJKSA-N 2 0 416.312 3.778 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474048448 995038103 /nfs/dbraw/zinc/03/81/03/995038103.db2.gz WTBXOYZKTJIJHO-CSKPTYFESA-N 2 0 412.622 3.981 20 0 HHADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000482108748 995055921 /nfs/dbraw/zinc/05/59/21/995055921.db2.gz IQUSBHLRMCMZQZ-OAQYLSRUSA-N 2 0 415.379 3.633 20 0 HHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000482236569 995219444 /nfs/dbraw/zinc/21/94/44/995219444.db2.gz BDSAVHDNRQKUDR-FQEVSTJZSA-N 2 0 409.574 3.891 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000482263716 995241909 /nfs/dbraw/zinc/24/19/09/995241909.db2.gz STSYSEOCGLTNRR-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccnn3-c3ccc(F)cc3)CC2)CC1 ZINC000474278701 995274165 /nfs/dbraw/zinc/27/41/65/995274165.db2.gz YIOJORUXIMWZOZ-UHFFFAOYSA-N 2 0 413.585 3.640 20 0 HHADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000482338904 995317861 /nfs/dbraw/zinc/31/78/61/995317861.db2.gz YDRZOQVLYDASJQ-VWLOTQADSA-N 2 0 413.581 3.981 20 0 HHADRP COc1ccc2nc(C[NH2+]CCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)sc2c1 ZINC000474367597 995347478 /nfs/dbraw/zinc/34/74/78/995347478.db2.gz FGYSYUUNPIOFQX-OAQYLSRUSA-N 2 0 410.587 3.773 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000474367880 995348333 /nfs/dbraw/zinc/34/83/33/995348333.db2.gz QJPDXVOLIZIKOD-JOCHJYFZSA-N 2 0 421.589 3.567 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccc3C)cc2)CC1 ZINC000474464764 995427554 /nfs/dbraw/zinc/42/75/54/995427554.db2.gz STQKXUXSBOINBN-UHFFFAOYSA-N 2 0 403.574 3.608 20 0 HHADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1OC ZINC000482439566 995433750 /nfs/dbraw/zinc/43/37/50/995433750.db2.gz OSKIDMYDEZGBOV-FQEVSTJZSA-N 2 0 417.985 3.782 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000474475536 995435091 /nfs/dbraw/zinc/43/50/91/995435091.db2.gz MTILAXIZHHKOSY-RTBURBONSA-N 2 0 412.574 3.942 20 0 HHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000482445714 995443252 /nfs/dbraw/zinc/44/32/52/995443252.db2.gz BLFLMRCQNPCWFY-GOSISDBHSA-N 2 0 419.520 3.639 20 0 HHADRP C[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)CN1CC[NH+](C)CC1 ZINC000482447107 995446275 /nfs/dbraw/zinc/44/62/75/995446275.db2.gz LPYJNGWDIPLRNV-APWZRJJASA-N 2 0 402.583 3.800 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000482454661 995455023 /nfs/dbraw/zinc/45/50/23/995455023.db2.gz OTPYNCFIFFZYHB-HXUWFJFHSA-N 2 0 419.573 3.891 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482516811 995527018 /nfs/dbraw/zinc/52/70/18/995527018.db2.gz YYLZKEURTGIQND-LPHOPBHVSA-N 2 0 410.400 3.526 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000482544713 995552911 /nfs/dbraw/zinc/55/29/11/995552911.db2.gz UGHBQYPDMGKQFR-VLMBKWFHSA-N 2 0 403.567 3.727 20 0 HHADRP Cn1cc(-c2ncc(C[NH2+]Cc3ccccc3C[N@H+](C)C3CCCCC3)cn2)cn1 ZINC000474602832 995559338 /nfs/dbraw/zinc/55/93/38/995559338.db2.gz URVMUBCXDSZISI-UHFFFAOYSA-N 2 0 404.562 3.931 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554737 995561879 /nfs/dbraw/zinc/56/18/79/995561879.db2.gz MLEYDCSZLUDACK-RLWLMLJZSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(-n2cnnn2)cc1 ZINC000482633157 995627547 /nfs/dbraw/zinc/62/75/47/995627547.db2.gz RJKHYBIMRUQRRQ-KRWDZBQOSA-N 2 0 410.953 3.879 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636700 995631423 /nfs/dbraw/zinc/63/14/23/995631423.db2.gz WPFFCURTADBJSQ-FYYLOGMGSA-N 2 0 419.569 3.920 20 0 HHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643705 995638404 /nfs/dbraw/zinc/63/84/04/995638404.db2.gz QGWQQJPTZHOXKV-PWAGRJGVSA-N 2 0 409.549 3.936 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000474714047 995652968 /nfs/dbraw/zinc/65/29/68/995652968.db2.gz YXUPNHPQMUIIRL-LXGFNABISA-N 2 0 405.558 3.596 20 0 HHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482809061 995764444 /nfs/dbraw/zinc/76/44/44/995764444.db2.gz CEVUJIVBLNGVCY-LPHOPBHVSA-N 2 0 415.965 3.897 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474883715 995776646 /nfs/dbraw/zinc/77/66/46/995776646.db2.gz AYIOFEWZOLINRV-FHLIZLRMSA-N 2 0 405.995 3.975 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(N2CCOCC2)c1 ZINC000482881952 995814969 /nfs/dbraw/zinc/81/49/69/995814969.db2.gz FKLPFTGNMMGNIK-OAQYLSRUSA-N 2 0 409.574 3.849 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000482911036 995839753 /nfs/dbraw/zinc/83/97/53/995839753.db2.gz LMPQZGXQJFYACV-NRFANRHFSA-N 2 0 401.620 3.519 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475006871 995863384 /nfs/dbraw/zinc/86/33/84/995863384.db2.gz AIRGRGOJXUALKV-YADHBBJMSA-N 2 0 410.562 3.723 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000482944455 995871603 /nfs/dbraw/zinc/87/16/03/995871603.db2.gz IDVXZDUETFPESV-LJQANCHMSA-N 2 0 415.603 3.822 20 0 HHADRP CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475035864 995884824 /nfs/dbraw/zinc/88/48/24/995884824.db2.gz ZSQFUSZGGQAQEE-FCHUYYIVSA-N 2 0 410.562 3.723 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475105707 995924923 /nfs/dbraw/zinc/92/49/23/995924923.db2.gz DYTNOSOJVKLMKL-VWLOTQADSA-N 2 0 412.622 3.805 20 0 HHADRP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475132134 995943441 /nfs/dbraw/zinc/94/34/41/995943441.db2.gz GWLOMFADELOMJE-XMMPIXPASA-N 2 0 406.574 3.698 20 0 HHADRP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475132133 995943508 /nfs/dbraw/zinc/94/35/08/995943508.db2.gz GWLOMFADELOMJE-DEOSSOPVSA-N 2 0 406.574 3.698 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000475138660 995947293 /nfs/dbraw/zinc/94/72/93/995947293.db2.gz VLEXYPCPWQOEKM-HNAYVOBHSA-N 2 0 409.452 3.655 20 0 HHADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000483201101 996034077 /nfs/dbraw/zinc/03/40/77/996034077.db2.gz OJMGHFKOCOBIDE-LAUBAEHRSA-N 2 0 421.607 3.775 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290194 996048343 /nfs/dbraw/zinc/04/83/43/996048343.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 2 0 420.601 3.813 20 0 HHADRP C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000483238315 996054019 /nfs/dbraw/zinc/05/40/19/996054019.db2.gz WQKMZAOXKJPFAZ-BPUDTRNYSA-N 2 0 412.622 3.849 20 0 HHADRP CC(C)N(C)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000483271415 996073202 /nfs/dbraw/zinc/07/32/02/996073202.db2.gz XVOZIHDYSZPUDF-UHFFFAOYSA-N 2 0 401.643 3.554 20 0 HHADRP CN(c1ccccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000475346573 996081468 /nfs/dbraw/zinc/08/14/68/996081468.db2.gz CWLJLVOVJAZQEA-PLQXJYEYSA-N 2 0 418.629 3.781 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475555278 996216789 /nfs/dbraw/zinc/21/67/89/996216789.db2.gz QEOXKEZJRAMMJM-HSZRJFAPSA-N 2 0 409.574 3.754 20 0 HHADRP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627394 996295173 /nfs/dbraw/zinc/29/51/73/996295173.db2.gz VGPBWIIBOYAGQS-QRWLVFNGSA-N 2 0 409.496 3.831 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483673113 996321097 /nfs/dbraw/zinc/32/10/97/996321097.db2.gz SGEIYXJTORKISG-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335238 /nfs/dbraw/zinc/33/52/38/996335238.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 2 0 421.541 3.732 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000475739624 996338078 /nfs/dbraw/zinc/33/80/78/996338078.db2.gz NLCHQJXLBBEVGI-UHFFFAOYSA-N 2 0 414.594 3.780 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483706354 996340191 /nfs/dbraw/zinc/34/01/91/996340191.db2.gz FEABBWONJQLFEO-PUHATCMVSA-N 2 0 400.611 3.974 20 0 HHADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000483708376 996341101 /nfs/dbraw/zinc/34/11/01/996341101.db2.gz HLZQQJVFTUVSKG-LJQANCHMSA-N 2 0 407.624 3.634 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C ZINC000483715164 996345246 /nfs/dbraw/zinc/34/52/46/996345246.db2.gz WLQJYZRQCPPZBI-QMMLZNLJSA-N 2 0 407.002 3.991 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483724831 996351144 /nfs/dbraw/zinc/35/11/44/996351144.db2.gz HKOXHKSFLSLDOS-OYNPSCLESA-N 2 0 407.624 3.536 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000483736242 996357724 /nfs/dbraw/zinc/35/77/24/996357724.db2.gz XWUFURULOHRTGX-NFBKMPQASA-N 2 0 400.611 3.933 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475900423 996454793 /nfs/dbraw/zinc/45/47/93/996454793.db2.gz WAYCKBFLYIEERO-VWLOTQADSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974564 996501100 /nfs/dbraw/zinc/50/11/00/996501100.db2.gz MFPNBIDRGNQKME-URXFXBBRSA-N 2 0 408.590 3.718 20 0 HHADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000483979274 996503088 /nfs/dbraw/zinc/50/30/88/996503088.db2.gz PNLFWGVALONTNU-DPLHUUCSSA-N 2 0 420.601 3.643 20 0 HHADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC(F)F ZINC000484294533 996684747 /nfs/dbraw/zinc/68/47/47/996684747.db2.gz BRMVFIUAFOHHCT-SFHVURJKSA-N 2 0 411.537 3.955 20 0 HHADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000484300474 996688885 /nfs/dbraw/zinc/68/88/85/996688885.db2.gz JRAHZPKGXOOFBE-IBGZPJMESA-N 2 0 403.611 3.999 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000484467888 996787460 /nfs/dbraw/zinc/78/74/60/996787460.db2.gz AACVWISPTPPHMY-QUCCMNQESA-N 2 0 413.562 3.574 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cnn(Cc2ccccc2)c1 ZINC000484470794 996790662 /nfs/dbraw/zinc/79/06/62/996790662.db2.gz FWBDLAVJXPWNMA-FQEVSTJZSA-N 2 0 404.558 3.739 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564313 997058632 /nfs/dbraw/zinc/05/86/32/997058632.db2.gz KVLZFGBXNZBLPR-WQYPUDFKSA-N 2 0 420.601 3.654 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000476624013 997143539 /nfs/dbraw/zinc/14/35/39/997143539.db2.gz HZCOJVPRTFKCRQ-RDPSFJRHSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710741 997251974 /nfs/dbraw/zinc/25/19/74/997251974.db2.gz VVYMZARWMLOGEL-QUCCMNQESA-N 2 0 400.592 3.705 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000476807827 997360724 /nfs/dbraw/zinc/36/07/24/997360724.db2.gz NZFIPLAVUXPTBJ-UYAOXDASSA-N 2 0 420.598 3.610 20 0 HHADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476983140 997605945 /nfs/dbraw/zinc/60/59/45/997605945.db2.gz KNKCHTVWUSLBNN-TXTKFYIRSA-N 2 0 413.606 3.991 20 0 HHADRP Cc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000477080737 997733679 /nfs/dbraw/zinc/73/36/79/997733679.db2.gz FKBKCQAXSSTCMQ-PGRDOPGGSA-N 2 0 412.582 3.580 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000485453546 997896262 /nfs/dbraw/zinc/89/62/62/997896262.db2.gz KANWCFKGLPPHJT-DUXKGJEZSA-N 2 0 407.002 3.849 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250353 /nfs/dbraw/zinc/25/03/53/998250353.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 2 0 412.622 3.585 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CC4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000485817700 998285035 /nfs/dbraw/zinc/28/50/35/998285035.db2.gz GJZQXDKYODSFMS-UHFFFAOYSA-N 2 0 420.601 3.988 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000478002092 998708316 /nfs/dbraw/zinc/70/83/16/998708316.db2.gz ZSTVKARPNDJZBD-TZIWHRDSSA-N 2 0 400.567 3.642 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CC1 ZINC000478331824 998893492 /nfs/dbraw/zinc/89/34/92/998893492.db2.gz RTIJAQQNHKTOPH-XMMPIXPASA-N 2 0 423.626 3.876 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C[NH+]1CCCC1 ZINC000478423089 998949944 /nfs/dbraw/zinc/94/99/44/998949944.db2.gz XCMYOKRPPKQNEV-VWLOTQADSA-N 2 0 412.622 3.806 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000486961862 999019566 /nfs/dbraw/zinc/01/95/66/999019566.db2.gz BPCIFMSICBVCBK-UHFFFAOYSA-N 2 0 409.500 3.603 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000478869695 999184817 /nfs/dbraw/zinc/18/48/17/999184817.db2.gz HLRCLOXWIIHGKV-XMMPIXPASA-N 2 0 424.589 3.570 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000478900751 999201646 /nfs/dbraw/zinc/20/16/46/999201646.db2.gz STJUDRQTJFJHHC-HSZRJFAPSA-N 2 0 412.553 3.701 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC000479038554 999260511 /nfs/dbraw/zinc/26/05/11/999260511.db2.gz BVPFDRURRGMPKW-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014263 999348955 /nfs/dbraw/zinc/34/89/55/999348955.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 2 0 406.574 3.642 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479311294 999378479 /nfs/dbraw/zinc/37/84/79/999378479.db2.gz KRWNCZXCJAJIQP-JRGCBEDISA-N 2 0 404.986 3.745 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cc(Br)ccc43)cn2)CC1 ZINC000479331193 999388814 /nfs/dbraw/zinc/38/88/14/999388814.db2.gz OZYBYGMICYHDLV-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000479331819 999389667 /nfs/dbraw/zinc/38/96/67/999389667.db2.gz RUJUNKSQAWFSCE-IBGZPJMESA-N 2 0 415.603 3.514 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000479335909 999391416 /nfs/dbraw/zinc/39/14/16/999391416.db2.gz MYJSKKXDVGPXLT-PKTZIBPZSA-N 2 0 409.574 3.660 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479338299 999392602 /nfs/dbraw/zinc/39/26/02/999392602.db2.gz SPLDENRHIUGPGP-AWEZNQCLSA-N 2 0 422.422 3.804 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)CC1 ZINC000488273076 999419306 /nfs/dbraw/zinc/41/93/06/999419306.db2.gz ODMWPPFKXPFMEI-PKTZIBPZSA-N 2 0 414.594 3.537 20 0 HHADRP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000479446914 999421611 /nfs/dbraw/zinc/42/16/11/999421611.db2.gz OYFUPZBOMWLIIB-LJQANCHMSA-N 2 0 419.363 3.704 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000488328317 999442412 /nfs/dbraw/zinc/44/24/12/999442412.db2.gz UKOMLOKEHSIPNE-UHFFFAOYSA-N 2 0 403.586 3.808 20 0 HHADRP Cc1cc2[nH]c(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544262 999470004 /nfs/dbraw/zinc/47/00/04/999470004.db2.gz MVKJSTHWBWWRSY-OAQYLSRUSA-N 2 0 404.558 3.772 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000488423883 999482853 /nfs/dbraw/zinc/48/28/53/999482853.db2.gz ZDILSHYMNZEKND-UHFFFAOYSA-N 2 0 408.590 3.837 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000488474402 999499175 /nfs/dbraw/zinc/49/91/75/999499175.db2.gz YJDJGKADWBNAQB-SDUSCBPUSA-N 2 0 405.586 3.925 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576466 999533242 /nfs/dbraw/zinc/53/32/42/999533242.db2.gz CKEAYLUBOPBCQJ-MTNREXPMSA-N 2 0 422.564 3.862 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488596047 999540183 /nfs/dbraw/zinc/54/01/83/999540183.db2.gz NAFKMLCWVLDGOI-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488642415 999555566 /nfs/dbraw/zinc/55/55/66/999555566.db2.gz IUMAXZVUQRAWBX-UNMCSNQZSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648224 999557648 /nfs/dbraw/zinc/55/76/48/999557648.db2.gz XKJBYELSZJEQHR-NRTAZHGZSA-N 2 0 410.606 3.555 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000489247950 999729807 /nfs/dbraw/zinc/72/98/07/999729807.db2.gz KWKZPVMAZQJZJX-PGRDOPGGSA-N 2 0 414.619 3.951 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249958 999730166 /nfs/dbraw/zinc/73/01/66/999730166.db2.gz PGJNHADIFJPMGQ-FXAWDEMLSA-N 2 0 418.607 3.982 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747217 /nfs/dbraw/zinc/74/72/17/999747217.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 2 0 420.601 3.957 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000480220752 999748898 /nfs/dbraw/zinc/74/88/98/999748898.db2.gz DNZBKFOWRAARPE-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480267569 999759678 /nfs/dbraw/zinc/75/96/78/999759678.db2.gz RGAAYUNNNFWJSU-IIBYNOLFSA-N 2 0 421.632 3.780 20 0 HHADRP c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000489458327 999771746 /nfs/dbraw/zinc/77/17/46/999771746.db2.gz QVMDMOBJOLKAST-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788427 /nfs/dbraw/zinc/78/84/27/999788427.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 2 0 408.586 3.878 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480452752 999802525 /nfs/dbraw/zinc/80/25/25/999802525.db2.gz BLXODBDZGXZUBG-IBGZPJMESA-N 2 0 415.603 3.774 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480536832 999821007 /nfs/dbraw/zinc/82/10/07/999821007.db2.gz DJPROJNFQJTUQW-RTBURBONSA-N 2 0 410.400 3.524 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612504 999840918 /nfs/dbraw/zinc/84/09/18/999840918.db2.gz PCVCLOQGRHLGNT-MOPGFXCFSA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618618 999842626 /nfs/dbraw/zinc/84/26/26/999842626.db2.gz WOTVTRFBWBXJEN-UONOGXRCSA-N 2 0 407.452 3.566 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665496 999854429 /nfs/dbraw/zinc/85/44/29/999854429.db2.gz XRKJYAGWVILVSE-SFTDATJTSA-N 2 0 410.606 3.932 20 0 HHADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000480691366 999860417 /nfs/dbraw/zinc/86/04/17/999860417.db2.gz CDSSCXHTBURBBA-IRLDBZIGSA-N 2 0 412.553 3.797 20 0 HHADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(Br)c1 ZINC000480700379 999862931 /nfs/dbraw/zinc/86/29/31/999862931.db2.gz QSOBKRNONGOHER-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701651 999863254 /nfs/dbraw/zinc/86/32/54/999863254.db2.gz GJTIFSORNQTUCI-OAQYLSRUSA-N 2 0 403.574 3.861 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000490011953 999877305 /nfs/dbraw/zinc/87/73/05/999877305.db2.gz LNLNGWCIUPFPBK-JOCHJYFZSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490633352 999986924 /nfs/dbraw/zinc/98/69/24/999986924.db2.gz ZYCJXLRBTBLPHQ-WIYYLYMNSA-N 2 0 413.528 3.822 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C[C@@H](C)C1 ZINC000490987265 1000030683 /nfs/dbraw/zinc/03/06/83/1000030683.db2.gz JECUWBIRVDRUDJ-BAMDZGJYSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490992440 1000031406 /nfs/dbraw/zinc/03/14/06/1000031406.db2.gz VXRBZEHVLHURID-NFBKMPQASA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000491011552 1000033995 /nfs/dbraw/zinc/03/39/95/1000033995.db2.gz WACCVWCKMJZJTL-GCJKJVERSA-N 2 0 403.517 3.851 20 0 HHADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491025337 1000035534 /nfs/dbraw/zinc/03/55/34/1000035534.db2.gz CLHXSCQKCMJRCN-NRFANRHFSA-N 2 0 405.586 3.804 20 0 HHADRP C[C@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000491029319 1000036238 /nfs/dbraw/zinc/03/62/38/1000036238.db2.gz HXWZJDBXYQDPJC-IERDGZPVSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000491029320 1000036330 /nfs/dbraw/zinc/03/63/30/1000036330.db2.gz HXWZJDBXYQDPJC-IIBYNOLFSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000491059101 1000040610 /nfs/dbraw/zinc/04/06/10/1000040610.db2.gz JOJHHYIMOJCHEE-HFZDXXHNSA-N 2 0 404.602 3.581 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000491062383 1000041262 /nfs/dbraw/zinc/04/12/62/1000041262.db2.gz REIXOBVBSRTLGY-OAQYLSRUSA-N 2 0 402.966 3.924 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000491076581 1000042903 /nfs/dbraw/zinc/04/29/03/1000042903.db2.gz PEJDFOQQPMIBLA-HSZRJFAPSA-N 2 0 400.538 3.547 20 0 HHADRP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000491123357 1000047673 /nfs/dbraw/zinc/04/76/73/1000047673.db2.gz KXRAJJOLINYZPY-FYYLOGMGSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000491310776 1000063841 /nfs/dbraw/zinc/06/38/41/1000063841.db2.gz SBXYXIKSINILQF-CTNGQTDRSA-N 2 0 424.593 3.572 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491761240 1000094322 /nfs/dbraw/zinc/09/43/22/1000094322.db2.gz XYVKIZWONCOYBS-HXUWFJFHSA-N 2 0 402.583 3.747 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC3 ZINC000493209147 1000163082 /nfs/dbraw/zinc/16/30/82/1000163082.db2.gz XSVMPLRKFGRNPG-IBGZPJMESA-N 2 0 410.606 3.550 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1)C(C)C ZINC000504660828 1000313840 /nfs/dbraw/zinc/31/38/40/1000313840.db2.gz CJQQEIUADOFTQQ-SZPZYZBQSA-N 2 0 414.638 3.548 20 0 HHADRP CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504744980 1000351599 /nfs/dbraw/zinc/35/15/99/1000351599.db2.gz IAVVIRBFPSJGOM-JOCHJYFZSA-N 2 0 424.589 3.943 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000504776726 1000364886 /nfs/dbraw/zinc/36/48/86/1000364886.db2.gz AVSLOZXVWKPCQK-UHFFFAOYSA-N 2 0 400.611 3.587 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504882908 1000425612 /nfs/dbraw/zinc/42/56/12/1000425612.db2.gz QNPBVUIUFUIYMC-JOCHJYFZSA-N 2 0 421.589 3.615 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)CC2)c1 ZINC000494910917 1000725684 /nfs/dbraw/zinc/72/56/84/1000725684.db2.gz PNXCXSDFGPQNLZ-QHCPKHFHSA-N 2 0 410.610 3.927 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495087608 1000826721 /nfs/dbraw/zinc/82/67/21/1000826721.db2.gz CKJZPQGVEOQZPP-HXUWFJFHSA-N 2 0 409.574 3.756 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000505726791 1000995278 /nfs/dbraw/zinc/99/52/78/1000995278.db2.gz NARSMEAVGBXKRJ-VEXUSMLFSA-N 2 0 424.589 3.823 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495420371 1001006092 /nfs/dbraw/zinc/00/60/92/1001006092.db2.gz HLQXPJCPGMFBOG-UEXGIBASSA-N 2 0 401.576 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505760874 1001009989 /nfs/dbraw/zinc/00/99/89/1001009989.db2.gz ZJZAPGPBXOMXJE-NEWSRXKRSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000505760281 1001010228 /nfs/dbraw/zinc/01/02/28/1001010228.db2.gz OPYGIXAKKOAVGT-AABGKKOBSA-N 2 0 411.512 3.683 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000505803149 1001034393 /nfs/dbraw/zinc/03/43/93/1001034393.db2.gz UFDNXMFJBPEEQO-HXUWFJFHSA-N 2 0 417.594 3.505 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506007039 1001158372 /nfs/dbraw/zinc/15/83/72/1001158372.db2.gz KAMIZFWJZULJGU-UHFFFAOYSA-N 2 0 423.985 3.502 20 0 HHADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506008727 1001158733 /nfs/dbraw/zinc/15/87/33/1001158733.db2.gz FHROTFPOPYGAMT-OAQYLSRUSA-N 2 0 401.501 3.522 20 0 HHADRP FC(F)(F)COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506033057 1001177597 /nfs/dbraw/zinc/17/75/97/1001177597.db2.gz UHTAEMIRAVCARS-UHFFFAOYSA-N 2 0 400.485 3.952 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000506046870 1001189512 /nfs/dbraw/zinc/18/95/12/1001189512.db2.gz DILGQILVQHKFIO-HXUWFJFHSA-N 2 0 419.585 3.560 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000506146120 1001247565 /nfs/dbraw/zinc/24/75/65/1001247565.db2.gz BCWFCGZAWBXYDH-UHFFFAOYSA-N 2 0 422.617 3.687 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000506148103 1001248915 /nfs/dbraw/zinc/24/89/15/1001248915.db2.gz OMTADXMSNYBKPV-JOCHJYFZSA-N 2 0 418.589 3.641 20 0 HHADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497561390 1001435890 /nfs/dbraw/zinc/43/58/90/1001435890.db2.gz FQNAREOXYVICOF-OAQYLSRUSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000497565322 1001437805 /nfs/dbraw/zinc/43/78/05/1001437805.db2.gz ZLGXZTDBNSMEQI-FQEVSTJZSA-N 2 0 400.611 3.851 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000497898735 1001556121 /nfs/dbraw/zinc/55/61/21/1001556121.db2.gz NSLYTQSOKYANPE-UHFFFAOYSA-N 2 0 415.578 3.579 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1Cl ZINC000498136170 1001657501 /nfs/dbraw/zinc/65/75/01/1001657501.db2.gz JZBOVPUTWAPZTD-DZFGPLHGSA-N 2 0 407.002 3.849 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948627 1001722545 /nfs/dbraw/zinc/72/25/45/1001722545.db2.gz HAINXUGGQMDBSZ-XQBPLPMBSA-N 2 0 404.574 3.724 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498273537 1001747527 /nfs/dbraw/zinc/74/75/27/1001747527.db2.gz CSZYWEGCWSKZOF-NLEAXPPASA-N 2 0 422.976 3.598 20 0 HHADRP CCC1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276142 1001749985 /nfs/dbraw/zinc/74/99/85/1001749985.db2.gz NAPKLCJORBQCAU-DHIUTWEWSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)CC(C)C ZINC000507052973 1001783426 /nfs/dbraw/zinc/78/34/26/1001783426.db2.gz KJSLFZVLZNBZIJ-PZJWPPBQSA-N 2 0 403.615 3.865 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000507367629 1002027480 /nfs/dbraw/zinc/02/74/80/1002027480.db2.gz LUQLKOYGPDRKEI-NRFANRHFSA-N 2 0 420.601 3.918 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000507379040 1002035499 /nfs/dbraw/zinc/03/54/99/1002035499.db2.gz LOHPFMRYUFDJPX-PCCBWWKXSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706347 1002089894 /nfs/dbraw/zinc/08/98/94/1002089894.db2.gz FYAOSHLRGVIBLD-RBBKRZOGSA-N 2 0 424.589 3.796 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000507475343 1002092047 /nfs/dbraw/zinc/09/20/47/1002092047.db2.gz GTEGDARFXROLRI-NRFANRHFSA-N 2 0 422.541 3.779 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000507560664 1002165547 /nfs/dbraw/zinc/16/55/47/1002165547.db2.gz OVPUIDGELRGQKE-NRFANRHFSA-N 2 0 415.626 3.867 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893773 1002283448 /nfs/dbraw/zinc/28/34/48/1002283448.db2.gz JYEFFJSOMZDNSU-APTRMMRNSA-N 2 0 424.589 3.650 20 0 HHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507695250 1002287300 /nfs/dbraw/zinc/28/73/00/1002287300.db2.gz QZXRPMRJJYPWSA-UHFFFAOYSA-N 2 0 410.606 3.873 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000507901738 1002435216 /nfs/dbraw/zinc/43/52/16/1002435216.db2.gz HAEHGLCJXZXVTB-UHFFFAOYSA-N 2 0 411.512 3.910 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499110636 1002500766 /nfs/dbraw/zinc/50/07/66/1002500766.db2.gz KYKGULWNXYFIJK-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP c1csc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141851 1002526694 /nfs/dbraw/zinc/52/66/94/1002526694.db2.gz NLWZFCUGVHOHCD-KAOXLYBCSA-N 2 0 411.615 3.907 20 0 HHADRP c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155018 1002539116 /nfs/dbraw/zinc/53/91/16/1002539116.db2.gz GGXINKXOSITPMG-SSUZURRFSA-N 2 0 405.586 3.673 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156163 1002539798 /nfs/dbraw/zinc/53/97/98/1002539798.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 2 0 405.586 3.804 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156162 1002540328 /nfs/dbraw/zinc/54/03/28/1002540328.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 2 0 405.586 3.804 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508054224 1002574866 /nfs/dbraw/zinc/57/48/66/1002574866.db2.gz SWYFOPUCYNHMSW-PMACEKPBSA-N 2 0 400.611 3.696 20 0 HHADRP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236399 1002626865 /nfs/dbraw/zinc/62/68/65/1002626865.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 2 0 419.613 3.655 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508478232 1002962440 /nfs/dbraw/zinc/96/24/40/1002962440.db2.gz REJXXQBVMBSWGG-HSZRJFAPSA-N 2 0 409.599 3.802 20 0 HHADRP CCOC(=O)c1sc2nc(CN(C)C)nc(NC3CC[NH+](C(C)C)CC3)c2c1C ZINC000499659586 1003019367 /nfs/dbraw/zinc/01/93/67/1003019367.db2.gz IJOGJRGEKPOKBZ-UHFFFAOYSA-N 2 0 419.595 3.523 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719499 1003160117 /nfs/dbraw/zinc/16/01/17/1003160117.db2.gz KWJUHZZNYZHZTO-RCXJIHSJSA-N 2 0 407.602 3.869 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721439 1003161747 /nfs/dbraw/zinc/16/17/47/1003161747.db2.gz URHFTYZCBNTAAS-HJNYFJLDSA-N 2 0 409.574 3.783 20 0 HHADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000499918021 1003244783 /nfs/dbraw/zinc/24/47/83/1003244783.db2.gz GYURHQRVTFAURY-DEOSSOPVSA-N 2 0 409.574 3.501 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508868484 1003288338 /nfs/dbraw/zinc/28/83/38/1003288338.db2.gz FTTNQADKGBHRNJ-CVDCTZTESA-N 2 0 412.578 3.885 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874916 1003294604 /nfs/dbraw/zinc/29/46/04/1003294604.db2.gz VMXODEHPRJDQAM-TZYHBYERSA-N 2 0 412.578 3.597 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508880794 1003302080 /nfs/dbraw/zinc/30/20/80/1003302080.db2.gz MKQQQVAGRDDEKL-OFNKIYASSA-N 2 0 400.611 3.975 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899235 1003332859 /nfs/dbraw/zinc/33/28/59/1003332859.db2.gz SZNXJERRRNROKK-IRLDBZIGSA-N 2 0 419.491 3.860 20 0 HHADRP O=C(CCc1ccc(-c2ccccc2)o1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500026119 1003351537 /nfs/dbraw/zinc/35/15/37/1003351537.db2.gz PKIWVRFWPNEPEV-UHFFFAOYSA-N 2 0 418.541 3.603 20 0 HHADRP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941896 1003393675 /nfs/dbraw/zinc/39/36/75/1003393675.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 2 0 411.512 3.820 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1 ZINC000500104268 1003466170 /nfs/dbraw/zinc/46/61/70/1003466170.db2.gz NSZYMCBOAJALHE-UHFFFAOYSA-N 2 0 423.605 3.992 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000500442168 1003720742 /nfs/dbraw/zinc/72/07/42/1003720742.db2.gz PXFVXLAEKSHOBT-UHFFFAOYSA-N 2 0 406.574 3.669 20 0 HHADRP COc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1OC ZINC000500497983 1003748369 /nfs/dbraw/zinc/74/83/69/1003748369.db2.gz LMQCPTPZVVSVTD-UHFFFAOYSA-N 2 0 417.981 3.655 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000500764983 1003944765 /nfs/dbraw/zinc/94/47/65/1003944765.db2.gz DFYHXRKCGMGIMB-UHFFFAOYSA-N 2 0 400.611 3.587 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500780861 1003952073 /nfs/dbraw/zinc/95/20/73/1003952073.db2.gz SGUFQMCOOGBGDE-FQEVSTJZSA-N 2 0 415.626 3.840 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579142 1003957753 /nfs/dbraw/zinc/95/77/53/1003957753.db2.gz TZZQNTRZQNGCFY-PCCBWWKXSA-N 2 0 404.599 3.862 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000512024144 1003961971 /nfs/dbraw/zinc/96/19/71/1003961971.db2.gz LAVBPVSBIMVABK-UHFFFAOYSA-N 2 0 417.601 3.883 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000512036669 1003972056 /nfs/dbraw/zinc/97/20/56/1003972056.db2.gz ATCHADWDCDDXFL-IRXDYDNUSA-N 2 0 410.484 3.870 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604393 1003973888 /nfs/dbraw/zinc/97/38/88/1003973888.db2.gz SWZMASLESVOBLA-RXVVDRJESA-N 2 0 413.566 3.662 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000500829298 1003987403 /nfs/dbraw/zinc/98/74/03/1003987403.db2.gz BYWYDKSLVHVKER-UHFFFAOYSA-N 2 0 401.599 3.594 20 0 HHADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000512092530 1004017116 /nfs/dbraw/zinc/01/71/16/1004017116.db2.gz VSJMHUBNKBUCPX-QGZVFWFLSA-N 2 0 421.998 3.759 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000512121375 1004037783 /nfs/dbraw/zinc/03/77/83/1004037783.db2.gz IQYTWYCUGPAYLX-UHFFFAOYSA-N 2 0 408.590 3.918 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000509778330 1004089224 /nfs/dbraw/zinc/08/92/24/1004089224.db2.gz QNCSEFUAKOMLME-ICSRJNTNSA-N 2 0 400.611 3.896 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000501009991 1004114295 /nfs/dbraw/zinc/11/42/95/1004114295.db2.gz HDZSVLFZHRWCEE-OAQYLSRUSA-N 2 0 407.002 3.897 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000501013272 1004116761 /nfs/dbraw/zinc/11/67/61/1004116761.db2.gz YOQBCHZDTBLVOF-DEOSSOPVSA-N 2 0 423.580 3.922 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000512234024 1004133470 /nfs/dbraw/zinc/13/34/70/1004133470.db2.gz JRXFLOPNGRQIHY-UHFFFAOYSA-N 2 0 421.585 3.503 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000509835230 1004134560 /nfs/dbraw/zinc/13/45/60/1004134560.db2.gz YWCLGHOWQDUWLJ-FGZHOGPDSA-N 2 0 400.588 3.861 20 0 HHADRP C[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501031987 1004135926 /nfs/dbraw/zinc/13/59/26/1004135926.db2.gz OACSATDSLIPYKX-UHFFFAOYSA-N 2 0 403.486 3.825 20 0 HHADRP Cc1cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)n1-c1nccs1 ZINC000501047338 1004148468 /nfs/dbraw/zinc/14/84/68/1004148468.db2.gz CKDQHNBTHHRBSM-UHFFFAOYSA-N 2 0 423.586 3.977 20 0 HHADRP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048912 1004150578 /nfs/dbraw/zinc/15/05/78/1004150578.db2.gz IKLBDEHYYGDUML-KRWDZBQOSA-N 2 0 416.516 3.728 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501082718 1004187769 /nfs/dbraw/zinc/18/77/69/1004187769.db2.gz AKZOTTLNEMPTHZ-RXVVDRJESA-N 2 0 424.992 3.989 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324794 1004217955 /nfs/dbraw/zinc/21/79/55/1004217955.db2.gz SKTQBFKOHQWZHH-OKZBNKHCSA-N 2 0 403.567 3.664 20 0 HHADRP COc1ccc2c(c1OC)CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000501122899 1004219399 /nfs/dbraw/zinc/21/93/99/1004219399.db2.gz TZIMCSPEIHMNDD-UHFFFAOYSA-N 2 0 409.574 3.793 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000501187341 1004264254 /nfs/dbraw/zinc/26/42/54/1004264254.db2.gz MDJLEQHFPKMJND-IBGZPJMESA-N 2 0 424.680 3.792 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512407532 1004276200 /nfs/dbraw/zinc/27/62/00/1004276200.db2.gz WGHXOGZWYFMWON-JTHBVZDNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H](CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410375 1004278514 /nfs/dbraw/zinc/27/85/14/1004278514.db2.gz RPOZTMSMFQARDW-ZEQKJWHPSA-N 2 0 407.602 3.874 20 0 HHADRP C[C@H](CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410372 1004278577 /nfs/dbraw/zinc/27/85/77/1004278577.db2.gz RPOZTMSMFQARDW-BVAGGSTKSA-N 2 0 407.602 3.874 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429792 1004296921 /nfs/dbraw/zinc/29/69/21/1004296921.db2.gz JOIGMKMJWSZDFT-RBVMOCNTSA-N 2 0 412.622 3.944 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512457265 1004317036 /nfs/dbraw/zinc/31/70/36/1004317036.db2.gz RLTYYHSOADDIGQ-UHFFFAOYSA-N 2 0 402.970 3.768 20 0 HHADRP C[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000510144542 1004354513 /nfs/dbraw/zinc/35/45/13/1004354513.db2.gz LMPFMFQSFIVTFH-FGZHOGPDSA-N 2 0 400.611 3.599 20 0 HHADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)C ZINC000512523202 1004359704 /nfs/dbraw/zinc/35/97/04/1004359704.db2.gz FJCMUWQFHZQFRW-LJQANCHMSA-N 2 0 414.516 3.698 20 0 HHADRP CCCCCC(=O)NC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512591157 1004407011 /nfs/dbraw/zinc/40/70/11/1004407011.db2.gz VARUZCXIWIDLCD-UHFFFAOYSA-N 2 0 414.638 3.878 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244549 1004421110 /nfs/dbraw/zinc/42/11/10/1004421110.db2.gz UDCNKIMQBJMFCD-NHCUHLMSSA-N 2 0 405.533 3.621 20 0 HHADRP CC(C)[C@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000501451678 1004430847 /nfs/dbraw/zinc/43/08/47/1004430847.db2.gz OZVYGODLEZKGRY-DEOSSOPVSA-N 2 0 401.545 3.958 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000510270834 1004439537 /nfs/dbraw/zinc/43/95/37/1004439537.db2.gz HGYNIQGZVIAQTR-MDNUFGMLSA-N 2 0 400.611 3.564 20 0 HHADRP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632350 1004444632 /nfs/dbraw/zinc/44/46/32/1004444632.db2.gz ZKYVQZCEJDHNRV-QLBJFCOMSA-N 2 0 421.585 3.592 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cn2)CCO1 ZINC000512646644 1004458153 /nfs/dbraw/zinc/45/81/53/1004458153.db2.gz BWEOXQFKYCMBKE-HKTJVKLFSA-N 2 0 420.601 3.697 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501492949 1004463879 /nfs/dbraw/zinc/46/38/79/1004463879.db2.gz XTNZHITZKXITJE-UPVQGACJSA-N 2 0 406.574 3.723 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N2CCOCC2)o1 ZINC000512652614 1004464993 /nfs/dbraw/zinc/46/49/93/1004464993.db2.gz ATABLSJOIVZPSZ-RCTAOEEJSA-N 2 0 423.601 3.852 20 0 HHADRP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512667239 1004477124 /nfs/dbraw/zinc/47/71/24/1004477124.db2.gz OMXPWYFXHYMMOK-RBZQAINGSA-N 2 0 412.599 3.622 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512669876 1004479749 /nfs/dbraw/zinc/47/97/49/1004479749.db2.gz ZVFMTTUFASVAAL-NRFANRHFSA-N 2 0 407.549 3.916 20 0 HHADRP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512712094 1004511648 /nfs/dbraw/zinc/51/16/48/1004511648.db2.gz NXQGARZTALPCDE-UNMCSNQZSA-N 2 0 412.622 3.945 20 0 HHADRP c1cc(Sc2ccccn2)oc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000510371305 1004516308 /nfs/dbraw/zinc/51/63/08/1004516308.db2.gz AAVOTEHTIOFETG-UHFFFAOYSA-N 2 0 409.559 3.523 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510455504 1004578508 /nfs/dbraw/zinc/57/85/08/1004578508.db2.gz GPWOAFRWDKRUMM-XZOQPEGZSA-N 2 0 424.589 3.861 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[NH+](C)C)cc1 ZINC000512820772 1004579933 /nfs/dbraw/zinc/57/99/33/1004579933.db2.gz NTNUNYIWNVYTPP-GMAHTHKFSA-N 2 0 416.610 3.736 20 0 HHADRP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501667405 1004585848 /nfs/dbraw/zinc/58/58/48/1004585848.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 2 0 409.578 3.842 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512831076 1004589182 /nfs/dbraw/zinc/58/91/82/1004589182.db2.gz FDALZVWVINZHLK-FYYLOGMGSA-N 2 0 416.610 3.736 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510484733 1004601504 /nfs/dbraw/zinc/60/15/04/1004601504.db2.gz YMCYYQVJWFWGCD-FPOVZHCZSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544865 1004677516 /nfs/dbraw/zinc/67/75/16/1004677516.db2.gz JQMLJTVCIHLSNP-BJLQDIEVSA-N 2 0 404.624 3.837 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501753791 1004683145 /nfs/dbraw/zinc/68/31/45/1004683145.db2.gz GLTLQKQWWPKNRI-XMMPIXPASA-N 2 0 406.574 3.571 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000501756941 1004688407 /nfs/dbraw/zinc/68/84/07/1004688407.db2.gz TXAHHGUMEADSED-DEOSSOPVSA-N 2 0 406.574 3.571 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000512919520 1004691146 /nfs/dbraw/zinc/69/11/46/1004691146.db2.gz ZXISDTNPKOICBA-IFMALSPDSA-N 2 0 404.599 3.592 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580987 1004729035 /nfs/dbraw/zinc/72/90/35/1004729035.db2.gz QSSQQJQOMVEJSF-IRMYBRCSSA-N 2 0 412.622 3.849 20 0 HHADRP O=C(NCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000513067842 1004789272 /nfs/dbraw/zinc/78/92/72/1004789272.db2.gz HWLITGNETCWZEI-UHFFFAOYSA-N 2 0 422.411 3.956 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510781642 1004848969 /nfs/dbraw/zinc/84/89/69/1004848969.db2.gz USJARVFTFAMEBX-IBGZPJMESA-N 2 0 400.567 3.704 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000513203817 1004859291 /nfs/dbraw/zinc/85/92/91/1004859291.db2.gz KRVDMBANWKCEKI-UHFFFAOYSA-N 2 0 412.544 3.810 20 0 HHADRP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000513334278 1004916115 /nfs/dbraw/zinc/91/61/15/1004916115.db2.gz GCQFGLREJGOICC-IBGZPJMESA-N 2 0 401.595 3.917 20 0 HHADRP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000510951209 1004950279 /nfs/dbraw/zinc/95/02/79/1004950279.db2.gz KVLWBJMYNTXIEH-VGTKIRILSA-N 2 0 421.585 3.723 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017824 1004981632 /nfs/dbraw/zinc/98/16/32/1004981632.db2.gz QZTNICFAAUHCAK-QFIPXVFZSA-N 2 0 412.622 3.729 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3-c3ccccc3)C2)CC1 ZINC000513483331 1004985616 /nfs/dbraw/zinc/98/56/16/1004985616.db2.gz CTVIPOHFJIYLFH-QFIPXVFZSA-N 2 0 409.574 3.583 20 0 HHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513544630 1005015660 /nfs/dbraw/zinc/01/56/60/1005015660.db2.gz KNUWQURDIAREDQ-SANMLTNESA-N 2 0 415.585 3.952 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000513587833 1005038011 /nfs/dbraw/zinc/03/80/11/1005038011.db2.gz BKLZKLHTKLBXMI-GBESFXJTSA-N 2 0 413.537 3.942 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000502419836 1005067855 /nfs/dbraw/zinc/06/78/55/1005067855.db2.gz SRHWOUIFIGIPHF-SANMLTNESA-N 2 0 420.601 3.598 20 0 HHADRP C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233260 1005084456 /nfs/dbraw/zinc/08/44/56/1005084456.db2.gz LLPLTGWEMFRZLZ-VQTJNVASSA-N 2 0 422.683 3.690 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000502487807 1005089601 /nfs/dbraw/zinc/08/96/01/1005089601.db2.gz PNFXMQWNUNAJBP-UHFFFAOYSA-N 2 0 401.595 3.682 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)CC2)CC1 ZINC000502518874 1005099361 /nfs/dbraw/zinc/09/93/61/1005099361.db2.gz CIWABISTHHCELB-OOMBGRCJSA-N 2 0 400.611 3.502 20 0 HHADRP C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511294747 1005112191 /nfs/dbraw/zinc/11/21/91/1005112191.db2.gz RVOWKWGZVKZBNA-IFMALSPDSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511294749 1005112209 /nfs/dbraw/zinc/11/22/09/1005112209.db2.gz RVOWKWGZVKZBNA-RBBKRZOGSA-N 2 0 404.643 3.937 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000513822604 1005145671 /nfs/dbraw/zinc/14/56/71/1005145671.db2.gz FXMDDXAZLJBUJN-UHFFFAOYSA-N 2 0 410.562 3.979 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000511428434 1005172614 /nfs/dbraw/zinc/17/26/14/1005172614.db2.gz NSBZUUJWMOGVDT-GIVPXCGWSA-N 2 0 414.619 3.951 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[NH+]2CCCC2)o1 ZINC000511463874 1005187157 /nfs/dbraw/zinc/18/71/57/1005187157.db2.gz QCHCYVNIUSMMGD-SBHAEUEKSA-N 2 0 402.583 3.677 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000511520558 1005209221 /nfs/dbraw/zinc/20/92/21/1005209221.db2.gz LXULMQOKPBRTCY-HSZRJFAPSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000514018799 1005230144 /nfs/dbraw/zinc/23/01/44/1005230144.db2.gz XNFLOROJRREWTH-GOSISDBHSA-N 2 0 407.002 3.724 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514021346 1005231410 /nfs/dbraw/zinc/23/14/10/1005231410.db2.gz YNFHSAUVHKIVIH-OTWHNJEPSA-N 2 0 421.029 3.970 20 0 HHADRP COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c2ccccc12 ZINC000511627995 1005251150 /nfs/dbraw/zinc/25/11/50/1005251150.db2.gz OKALSTOAGJLBKP-UHFFFAOYSA-N 2 0 411.590 3.764 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876863 1005254616 /nfs/dbraw/zinc/25/46/16/1005254616.db2.gz OUXAFMGAYVMMRK-OFNKIYASSA-N 2 0 416.610 3.643 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000514077947 1005255530 /nfs/dbraw/zinc/25/55/30/1005255530.db2.gz CHCKCDLZYUNAEM-UHFFFAOYSA-N 2 0 423.605 3.699 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000511639074 1005255730 /nfs/dbraw/zinc/25/57/30/1005255730.db2.gz DKGQMVXKRHJNRD-UHFFFAOYSA-N 2 0 416.997 3.804 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000514092021 1005261597 /nfs/dbraw/zinc/26/15/97/1005261597.db2.gz AWZCNEYYMBQCHX-ZACQAIPSSA-N 2 0 402.560 3.995 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000514099285 1005264994 /nfs/dbraw/zinc/26/49/94/1005264994.db2.gz NAUJIUMQAMFQBA-QGZVFWFLSA-N 2 0 401.576 3.523 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3cccc(OC(F)(F)F)c3)C3CC3)ccn2)CC1 ZINC000514100274 1005265157 /nfs/dbraw/zinc/26/51/57/1005265157.db2.gz UYXLNFCOGFXFIY-NRFANRHFSA-N 2 0 420.479 3.973 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000511663023 1005266914 /nfs/dbraw/zinc/26/69/14/1005266914.db2.gz LEZOYHHEXPTZPE-UHFFFAOYSA-N 2 0 416.997 3.804 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514115270 1005272193 /nfs/dbraw/zinc/27/21/93/1005272193.db2.gz QSNYBZKPCZHROR-GMAHTHKFSA-N 2 0 400.611 3.943 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171453 1005297971 /nfs/dbraw/zinc/29/79/71/1005297971.db2.gz BQHKLKAFMBIXBR-RPWUZVMVSA-N 2 0 406.574 3.706 20 0 HHADRP CC(C)(CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000514171381 1005297983 /nfs/dbraw/zinc/29/79/83/1005297983.db2.gz ATJMCTRKTIDMPG-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514181339 1005300870 /nfs/dbraw/zinc/30/08/70/1005300870.db2.gz BLIHFYUXIDWZHQ-QHCPKHFHSA-N 2 0 400.611 3.945 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190526 1005304961 /nfs/dbraw/zinc/30/49/61/1005304961.db2.gz QOVGMHLFSGOIRT-RPWUZVMVSA-N 2 0 408.590 3.604 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514217832 1005318429 /nfs/dbraw/zinc/31/84/29/1005318429.db2.gz FYLCBCWZHFBBAJ-FGCOXFRFSA-N 2 0 406.574 3.958 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000514227272 1005322024 /nfs/dbraw/zinc/32/20/24/1005322024.db2.gz YRVZXENJCCEJKJ-HSZRJFAPSA-N 2 0 415.626 3.732 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209935 1005369243 /nfs/dbraw/zinc/36/92/43/1005369243.db2.gz WELUKKJXBLCMBM-GOTSBHOMSA-N 2 0 424.589 3.589 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[NH+]2CCCC2)o1 ZINC000503339799 1005393667 /nfs/dbraw/zinc/39/36/67/1005393667.db2.gz IFBFMBQMWGZOEP-FGZHOGPDSA-N 2 0 416.610 3.878 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356761 1005397115 /nfs/dbraw/zinc/39/71/15/1005397115.db2.gz OHVRRGBQEMWANZ-FJIJXJHWSA-N 2 0 408.590 3.808 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[NH+](C)C)cc1 ZINC000503420844 1005415211 /nfs/dbraw/zinc/41/52/11/1005415211.db2.gz MDQIWZFAMWCXDW-VNXZQDSDSA-N 2 0 400.611 3.804 20 0 HHADRP C[N@H+](CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000503448175 1005423392 /nfs/dbraw/zinc/42/33/92/1005423392.db2.gz VIIJOTUHHGPJCU-QHCPKHFHSA-N 2 0 400.611 3.806 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000503765307 1005490688 /nfs/dbraw/zinc/49/06/88/1005490688.db2.gz OEQZNNQBNQTKHY-DEOSSOPVSA-N 2 0 414.638 3.705 20 0 HHADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000503921116 1005512614 /nfs/dbraw/zinc/51/26/14/1005512614.db2.gz PFDJGAXIEVOVGV-UHFFFAOYSA-N 2 0 407.299 3.881 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000503950892 1005517939 /nfs/dbraw/zinc/51/79/39/1005517939.db2.gz DEGXQOXSUDTPJG-LJQANCHMSA-N 2 0 421.010 3.968 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000504179405 1005567469 /nfs/dbraw/zinc/56/74/69/1005567469.db2.gz WYBODMBZEQCBPN-UHFFFAOYSA-N 2 0 416.569 3.929 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC(C)(C)[NH2+]1 ZINC000504199803 1005572225 /nfs/dbraw/zinc/57/22/25/1005572225.db2.gz SUQOMTHJNAIEFP-UHFFFAOYSA-N 2 0 408.590 3.976 20 0 HHADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2s1 ZINC000504276279 1005587745 /nfs/dbraw/zinc/58/77/45/1005587745.db2.gz BESDGYYQQFZXFR-GOSISDBHSA-N 2 0 423.586 3.869 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534058095 1006029501 /nfs/dbraw/zinc/02/95/01/1006029501.db2.gz OLDPFHBYEBVVDX-OALUTQOASA-N 2 0 414.819 3.951 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000531204374 1006045033 /nfs/dbraw/zinc/04/50/33/1006045033.db2.gz ISZGUOPUYFQLAA-UHFFFAOYSA-N 2 0 412.603 3.696 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000531205263 1006045384 /nfs/dbraw/zinc/04/53/84/1006045384.db2.gz DCBJJYSQZVFVPZ-UHFFFAOYSA-N 2 0 410.562 3.966 20 0 HHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531291184 1006097595 /nfs/dbraw/zinc/09/75/95/1006097595.db2.gz YCTSPBUTSZYYKB-RUZDIDTESA-N 2 0 407.558 3.638 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531395446 1006171132 /nfs/dbraw/zinc/17/11/32/1006171132.db2.gz KVXKYYIATSRBLA-NZQKXSOJSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531455229 1006208043 /nfs/dbraw/zinc/20/80/43/1006208043.db2.gz RFKJEFJPNWWCPM-OFNKIYASSA-N 2 0 406.574 3.633 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534250800 1006258420 /nfs/dbraw/zinc/25/84/20/1006258420.db2.gz MTESSPSJGSNAII-LAUBAEHRSA-N 2 0 424.992 3.988 20 0 HHADRP CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1C1CC1 ZINC000534252040 1006260430 /nfs/dbraw/zinc/26/04/30/1006260430.db2.gz SBPNFMRMCNBBDN-IEBWSBKVSA-N 2 0 404.603 3.611 20 0 HHADRP CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1C1CC1 ZINC000534252042 1006260652 /nfs/dbraw/zinc/26/06/52/1006260652.db2.gz SBPNFMRMCNBBDN-PKOBYXMFSA-N 2 0 404.603 3.611 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(OC)c1 ZINC000531711947 1006372472 /nfs/dbraw/zinc/37/24/72/1006372472.db2.gz UJIWQMATZAOTAA-QUCCMNQESA-N 2 0 411.546 3.675 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](CO)c2ccccc2Cl)CC1 ZINC000515305988 1006384121 /nfs/dbraw/zinc/38/41/21/1006384121.db2.gz OZFDTBDMKWUVHT-MRXNPFEDSA-N 2 0 408.373 3.611 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000515383874 1006428885 /nfs/dbraw/zinc/42/88/85/1006428885.db2.gz ILUOIQRWLWFFOK-DEOSSOPVSA-N 2 0 421.589 3.705 20 0 HHADRP COc1ccccc1[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N(C)C ZINC000531851469 1006472908 /nfs/dbraw/zinc/47/29/08/1006472908.db2.gz ZMAIQTZOZJFUGP-DEOSSOPVSA-N 2 0 410.606 3.618 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cnn1-c1cc(C)ccc1C ZINC000531941860 1006534235 /nfs/dbraw/zinc/53/42/35/1006534235.db2.gz KQGGPYQGKTYCLF-FQEVSTJZSA-N 2 0 418.589 3.795 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CC(=O)N(C)c3ccccc3)CC2)c1 ZINC000531944981 1006536393 /nfs/dbraw/zinc/53/63/93/1006536393.db2.gz ORDDEEYALOPDQJ-HSZRJFAPSA-N 2 0 422.617 3.928 20 0 HHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000531959813 1006547243 /nfs/dbraw/zinc/54/72/43/1006547243.db2.gz WISFBDATHOPUSJ-LJQANCHMSA-N 3 0 404.558 3.988 20 0 HHADRP Cc1c([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965624 1006550369 /nfs/dbraw/zinc/55/03/69/1006550369.db2.gz HUERDSPIWXEZQI-DFBJGRDBSA-N 2 0 421.564 3.959 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531994430 1006566313 /nfs/dbraw/zinc/56/63/13/1006566313.db2.gz CBTOYVMSUOGACA-GOSISDBHSA-N 2 0 422.573 3.778 20 0 HHADRP CN(C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000532105303 1006637983 /nfs/dbraw/zinc/63/79/83/1006637983.db2.gz CKGAJUNEZJLBOZ-QHCPKHFHSA-N 2 0 416.560 3.888 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000538383165 1006652631 /nfs/dbraw/zinc/65/26/31/1006652631.db2.gz JAPJYNNHZXEVKT-IBGZPJMESA-N 2 0 412.500 3.649 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000538404679 1006672879 /nfs/dbraw/zinc/67/28/79/1006672879.db2.gz NEOTYJFDIAAFGJ-NHCUHLMSSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183870 1006703062 /nfs/dbraw/zinc/70/30/62/1006703062.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 2 0 412.622 3.797 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000532197640 1006713332 /nfs/dbraw/zinc/71/33/32/1006713332.db2.gz UXBDCTQMTKKCME-RBBKRZOGSA-N 2 0 412.553 3.797 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000515846601 1006714240 /nfs/dbraw/zinc/71/42/40/1006714240.db2.gz WDYWPOOATDDMHO-UHFFFAOYSA-N 2 0 406.574 3.652 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)CC(C)C ZINC000515848567 1006715408 /nfs/dbraw/zinc/71/54/08/1006715408.db2.gz LNERPDZWADOOIC-JOCHJYFZSA-N 2 0 406.590 3.846 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000532223653 1006732152 /nfs/dbraw/zinc/73/21/52/1006732152.db2.gz RPWBRLRIIPEVMS-AVRDEDQJSA-N 2 0 422.013 3.671 20 0 HHADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000532248084 1006748177 /nfs/dbraw/zinc/74/81/77/1006748177.db2.gz FHQSFJWFXIDBQL-QFIPXVFZSA-N 2 0 415.622 3.829 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515922841 1006765976 /nfs/dbraw/zinc/76/59/76/1006765976.db2.gz LRLCVUNQGGKCSB-QFIPXVFZSA-N 2 0 412.553 3.564 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000532330734 1006797360 /nfs/dbraw/zinc/79/73/60/1006797360.db2.gz ISXBRHORVGTSGW-IBGZPJMESA-N 2 0 411.569 3.814 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538928 1006800248 /nfs/dbraw/zinc/80/02/48/1006800248.db2.gz QAUSZPGSVJLIIV-OAQYLSRUSA-N 2 0 410.606 3.938 20 0 HHADRP CN(c1ccccc1C[NH2+]C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000532361266 1006818679 /nfs/dbraw/zinc/81/86/79/1006818679.db2.gz ZXLRGDAXBRLISK-UHFFFAOYSA-N 2 0 406.618 3.971 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4C)cc3)cn2)CC1 ZINC000532446978 1006888605 /nfs/dbraw/zinc/88/86/05/1006888605.db2.gz OSMXXSPWRCDHAI-IBGZPJMESA-N 2 0 404.562 3.568 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532446382 1006888775 /nfs/dbraw/zinc/88/87/75/1006888775.db2.gz RVACZPKDZPOAFP-IBGZPJMESA-N 2 0 406.574 3.560 20 0 HHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)c3ccc(Br)cc3)CC2)C1 ZINC000532448892 1006891113 /nfs/dbraw/zinc/89/11/13/1006891113.db2.gz XVACYJNZCZOYAG-JXFKEZNVSA-N 2 0 422.411 3.812 20 0 HHADRP CC1(C)C[C@H]([N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2)C(C)(C)O1 ZINC000538663783 1006941731 /nfs/dbraw/zinc/94/17/31/1006941731.db2.gz FIYDGVPKXWMKRT-QFIPXVFZSA-N 2 0 413.606 3.578 20 0 HHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504386 1006944823 /nfs/dbraw/zinc/94/48/23/1006944823.db2.gz WKXVSBIFNDSDSU-HOTGVXAUSA-N 2 0 413.484 3.513 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552493 1006983836 /nfs/dbraw/zinc/98/38/36/1006983836.db2.gz RHMMJJKKDRCXNG-RDPSFJRHSA-N 2 0 406.574 3.712 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333299 1007023635 /nfs/dbraw/zinc/02/36/35/1007023635.db2.gz PPNVWFLDAGEPAU-LADGPHEKSA-N 2 0 424.589 3.502 20 0 HHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000516353509 1007036497 /nfs/dbraw/zinc/03/64/97/1007036497.db2.gz XPSXJVSVTKARNW-OAHLLOKOSA-N 2 0 409.290 3.794 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000538761870 1007046223 /nfs/dbraw/zinc/04/62/23/1007046223.db2.gz IEHPIEHDVDZIQO-BGYRXZFFSA-N 2 0 410.562 3.980 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000538762960 1007047592 /nfs/dbraw/zinc/04/75/92/1007047592.db2.gz VJPBBIQCQMMOLH-XMMPIXPASA-N 2 0 421.633 3.825 20 0 HHADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCc1ccccc1 ZINC000538763009 1007048230 /nfs/dbraw/zinc/04/82/30/1007048230.db2.gz XWAQOWVWCURWHL-XMMPIXPASA-N 2 0 423.601 3.875 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOc3ccc(F)cc3Cl)CC2)CC1 ZINC000538783674 1007065655 /nfs/dbraw/zinc/06/56/55/1007065655.db2.gz BPHYLCGAFPKECY-UHFFFAOYSA-N 2 0 411.993 3.986 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000535036038 1007074427 /nfs/dbraw/zinc/07/44/27/1007074427.db2.gz JRRNIIFFYPLTHX-LEWJYISDSA-N 2 0 406.574 3.728 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000538874725 1007153509 /nfs/dbraw/zinc/15/35/09/1007153509.db2.gz YBBORXMXUWNFRE-OAQYLSRUSA-N 2 0 416.009 3.984 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000516557847 1007155120 /nfs/dbraw/zinc/15/51/20/1007155120.db2.gz IJIBMMSRTDUNLJ-OTWHNJEPSA-N 2 0 402.539 3.828 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000516559131 1007156232 /nfs/dbraw/zinc/15/62/32/1007156232.db2.gz VFHLTDDXUXKXNE-NTKDMRAZSA-N 2 0 400.611 3.769 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2CNC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000538878208 1007157700 /nfs/dbraw/zinc/15/77/00/1007157700.db2.gz LOJUASJXZHOQCX-UHFFFAOYSA-N 2 0 405.030 3.836 20 0 HHADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000532765701 1007170264 /nfs/dbraw/zinc/17/02/64/1007170264.db2.gz RKXFBEKRBWNXNG-SFTDATJTSA-N 2 0 405.542 3.835 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181584 1007227255 /nfs/dbraw/zinc/22/72/55/1007227255.db2.gz MLRHASKSTYBFRI-GBXCKJPGSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986228 1007280618 /nfs/dbraw/zinc/28/06/18/1007280618.db2.gz PKXNOMOPJHZKBY-OAQYLSRUSA-N 2 0 420.605 3.595 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539038643 1007336837 /nfs/dbraw/zinc/33/68/37/1007336837.db2.gz HXYKXGDMTDKHEB-INIZCTEOSA-N 2 0 416.953 3.967 20 0 HHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000539063777 1007356476 /nfs/dbraw/zinc/35/64/76/1007356476.db2.gz VDGFOCYQJKBFTG-ZOCIIQOWSA-N 2 0 411.384 3.876 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000539073084 1007364035 /nfs/dbraw/zinc/36/40/35/1007364035.db2.gz YFEKGXGKGOEXFA-NRFANRHFSA-N 2 0 413.562 3.978 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000539074711 1007365871 /nfs/dbraw/zinc/36/58/71/1007365871.db2.gz ZUWQZOBNPIMBDD-QFIPXVFZSA-N 2 0 411.521 3.655 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010670 1007374588 /nfs/dbraw/zinc/37/45/88/1007374588.db2.gz VTDKNVIMDJJGBF-IOMROCGXSA-N 2 0 404.986 3.601 20 0 HHADRP CC[NH+]1CCC(NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517103073 1007414851 /nfs/dbraw/zinc/41/48/51/1007414851.db2.gz BAHOKTOJTSAVSU-UHFFFAOYSA-N 2 0 415.409 3.941 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119366 1007465222 /nfs/dbraw/zinc/46/52/22/1007465222.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 2 0 420.601 3.711 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000535506052 1007561483 /nfs/dbraw/zinc/56/14/83/1007561483.db2.gz ATFZAIFPFUQZET-GOSISDBHSA-N 2 0 400.792 3.707 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506115 1007561662 /nfs/dbraw/zinc/56/16/62/1007561662.db2.gz CAUNCKBFHKHBCS-SFHVURJKSA-N 2 0 400.792 3.705 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509469 1007564887 /nfs/dbraw/zinc/56/48/87/1007564887.db2.gz VRKSAMRLYRYRFF-SCLBCKFNSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000533265368 1007582078 /nfs/dbraw/zinc/58/20/78/1007582078.db2.gz ZTLJSXXBXBKKGV-NHCUHLMSSA-N 2 0 408.590 3.659 20 0 HHADRP CC[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315228 1007613826 /nfs/dbraw/zinc/61/38/26/1007613826.db2.gz UFTFQCOOHVBDKL-PERKRYKHSA-N 2 0 401.501 3.785 20 0 HHADRP CC[C@H](N[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000539315226 1007613931 /nfs/dbraw/zinc/61/39/31/1007613931.db2.gz UFTFQCOOHVBDKL-BPXKWBHBSA-N 2 0 401.501 3.785 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000517462797 1007687372 /nfs/dbraw/zinc/68/73/72/1007687372.db2.gz RGWYIFWCOJKEGX-VQIMIIECSA-N 2 0 414.516 3.729 20 0 HHADRP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393307 1007698890 /nfs/dbraw/zinc/69/88/90/1007698890.db2.gz UGCNGKGTJCGONF-JOCHJYFZSA-N 2 0 412.530 3.660 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000517474138 1007699518 /nfs/dbraw/zinc/69/95/18/1007699518.db2.gz WERATBROMVGCPV-UHFFFAOYSA-N 2 0 404.624 3.521 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535676321 1007701623 /nfs/dbraw/zinc/70/16/23/1007701623.db2.gz QFXKXPKEEUNBRW-FQEVSTJZSA-N 2 0 409.549 3.819 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535697543 1007733336 /nfs/dbraw/zinc/73/33/36/1007733336.db2.gz AUTRCQYKCCOTQS-UWJYYQICSA-N 2 0 422.976 3.742 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912312 1008053044 /nfs/dbraw/zinc/05/30/44/1008053044.db2.gz YTXLTSAKVHLNFI-NZQKXSOJSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000536017424 1008057265 /nfs/dbraw/zinc/05/72/65/1008057265.db2.gz JOJCRVQVASRRDR-ZODMCCGTSA-N 2 0 422.617 3.854 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000533808725 1008127005 /nfs/dbraw/zinc/12/70/05/1008127005.db2.gz DVOVNOZYPUFUTC-DEOSSOPVSA-N 2 0 408.590 3.645 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000539902192 1008173332 /nfs/dbraw/zinc/17/33/32/1008173332.db2.gz ZQHFVSXSXNHBLT-UHFFFAOYSA-N 2 0 420.601 3.866 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000539950548 1008201799 /nfs/dbraw/zinc/20/17/99/1008201799.db2.gz OFLWQXPHLCPRCP-SFHVURJKSA-N 2 0 416.972 3.847 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccnn1C1CCCC1 ZINC000540045086 1008254671 /nfs/dbraw/zinc/25/46/71/1008254671.db2.gz CGOWBITUBJWYIO-UHFFFAOYSA-N 2 0 410.566 3.570 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000540050276 1008259239 /nfs/dbraw/zinc/25/92/39/1008259239.db2.gz ORPGRFMGFFPCQW-GOSISDBHSA-N 2 0 400.567 3.557 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000540055554 1008262532 /nfs/dbraw/zinc/26/25/32/1008262532.db2.gz CGUMSNOJESVXNE-XMMPIXPASA-N 2 0 423.605 3.550 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000518403049 1008290276 /nfs/dbraw/zinc/29/02/76/1008290276.db2.gz BDSYSGWLMOMMGS-KDURUIRLSA-N 2 0 418.601 3.846 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000518407501 1008292308 /nfs/dbraw/zinc/29/23/08/1008292308.db2.gz XZNAGUJLGQVTRD-SFTDATJTSA-N 2 0 414.638 3.749 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)ccn1 ZINC000540143219 1008309981 /nfs/dbraw/zinc/30/99/81/1008309981.db2.gz NPGFAHZCSFEVPE-LJQANCHMSA-N 2 0 404.352 3.952 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000540143461 1008310122 /nfs/dbraw/zinc/31/01/22/1008310122.db2.gz GSQVUAXTQSFCIT-KXBFYZLASA-N 2 0 401.364 3.857 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318846 /nfs/dbraw/zinc/31/88/46/1008318846.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 2 0 420.601 3.675 20 0 HHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540170704 1008320655 /nfs/dbraw/zinc/32/06/55/1008320655.db2.gz UIEIJBYUASIXES-DEOSSOPVSA-N 2 0 407.558 3.688 20 0 HHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540171897 1008321750 /nfs/dbraw/zinc/32/17/50/1008321750.db2.gz GLINUQJUWBDNGF-YESZJQIVSA-N 2 0 415.500 3.902 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520021 1008335847 /nfs/dbraw/zinc/33/58/47/1008335847.db2.gz QDBTWKCVMRRFFE-ICSRJNTNSA-N 2 0 404.624 3.837 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)NCCC2=CCCCC2)CC1 ZINC000540410250 1008421691 /nfs/dbraw/zinc/42/16/91/1008421691.db2.gz LYLZCSICAJGGOZ-LJQANCHMSA-N 2 0 416.585 3.625 20 0 HHADRP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000540508032 1008460395 /nfs/dbraw/zinc/46/03/95/1008460395.db2.gz XGXVGSDMQCZHES-AVRDEDQJSA-N 2 0 403.530 3.906 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)CC1 ZINC000518903320 1008467025 /nfs/dbraw/zinc/46/70/25/1008467025.db2.gz FCRGIZWQDYREAZ-QHCPKHFHSA-N 2 0 424.589 3.767 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950903 1008536337 /nfs/dbraw/zinc/53/63/37/1008536337.db2.gz ZHFDGAMRJFTOOG-OHUGHZGNSA-N 2 0 424.585 3.897 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000549080749 1008644327 /nfs/dbraw/zinc/64/43/27/1008644327.db2.gz FGOIMASUDZMWLB-PMACEKPBSA-N 2 0 406.933 3.684 20 0 HHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543081185 1008658054 /nfs/dbraw/zinc/65/80/54/1008658054.db2.gz BTNLSFPTYBJGJH-XMSQKQJNSA-N 2 0 411.615 3.827 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3c(Br)cccc32)ccn1 ZINC000543113686 1008686406 /nfs/dbraw/zinc/68/64/06/1008686406.db2.gz AFBSRMYTWPVFJE-LJQANCHMSA-N 2 0 404.352 3.952 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229417 1008798816 /nfs/dbraw/zinc/79/88/16/1008798816.db2.gz UPLXFXJNHXGNSM-RPBOFIJWSA-N 2 0 422.569 3.915 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)cc1)C(C)C ZINC000545808148 1008896938 /nfs/dbraw/zinc/89/69/38/1008896938.db2.gz ZILQXPXMQXXMQS-UHFFFAOYSA-N 2 0 420.561 3.781 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000546009504 1009045344 /nfs/dbraw/zinc/04/53/44/1009045344.db2.gz VNRGZERECAETDG-SFHVURJKSA-N 2 0 414.516 3.824 20 0 HHADRP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463363 1009051162 /nfs/dbraw/zinc/05/11/62/1009051162.db2.gz KUBWUUJQIOGSQW-ZMMCUDBLSA-N 2 0 402.579 3.711 20 0 HHADRP C[C@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000543619044 1009225078 /nfs/dbraw/zinc/22/50/78/1009225078.db2.gz XLSJFTWIHVYXMM-GOSISDBHSA-N 2 0 408.428 3.902 20 0 HHADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000543764321 1009334706 /nfs/dbraw/zinc/33/47/06/1009334706.db2.gz XAAQUAHTMBRZQC-FQUBMZHMSA-N 2 0 402.579 3.633 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520207940 1009342362 /nfs/dbraw/zinc/34/23/62/1009342362.db2.gz HOADTKAGINHPBK-PKOBYXMFSA-N 2 0 414.981 3.773 20 0 HHADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000543774360 1009342483 /nfs/dbraw/zinc/34/24/83/1009342483.db2.gz NXAOCRCVUWEAMG-JOCHJYFZSA-N 2 0 402.510 3.786 20 0 HHADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000549751019 1009369594 /nfs/dbraw/zinc/36/95/94/1009369594.db2.gz RLBIMUYSWIPOAC-DENIHFKCSA-N 2 0 402.579 3.635 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000543871837 1009440766 /nfs/dbraw/zinc/44/07/66/1009440766.db2.gz BHFVJHOALCDPQJ-SIKLNZKXSA-N 2 0 401.595 3.849 20 0 HHADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000543993296 1009592802 /nfs/dbraw/zinc/59/28/02/1009592802.db2.gz VZNJJICWOORZOM-CQSZACIVSA-N 2 0 409.596 3.723 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000520613269 1009689069 /nfs/dbraw/zinc/68/90/69/1009689069.db2.gz ZBORAGJOONHAOD-GMAHTHKFSA-N 2 0 416.610 3.738 20 0 HHADRP CCN1CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000544182361 1009786456 /nfs/dbraw/zinc/78/64/56/1009786456.db2.gz YAQXLYUQCCCASV-IRLDBZIGSA-N 2 0 415.463 3.918 20 0 HHADRP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933995 1009893479 /nfs/dbraw/zinc/89/34/79/1009893479.db2.gz IDURLTIMNVCQKD-UXHICEINSA-N 2 0 417.619 3.945 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000544332653 1009956450 /nfs/dbraw/zinc/95/64/50/1009956450.db2.gz UUWNGOANWNGUPG-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544368675 1009997248 /nfs/dbraw/zinc/99/72/48/1009997248.db2.gz QSHGMQXJBVAHST-PXNSSMCTSA-N 2 0 410.965 3.599 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000521069035 1010086969 /nfs/dbraw/zinc/08/69/69/1010086969.db2.gz YLYTXOIDMYAHCR-UHFFFAOYSA-N 2 0 412.553 3.695 20 0 HHADRP COc1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000544463943 1010086970 /nfs/dbraw/zinc/08/69/70/1010086970.db2.gz SYUKQWWJFUAQBO-FQEVSTJZSA-N 2 0 415.603 3.925 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000550788325 1010178323 /nfs/dbraw/zinc/17/83/23/1010178323.db2.gz MUVBKVXFMNUGKR-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605243 1010231537 /nfs/dbraw/zinc/23/15/37/1010231537.db2.gz JLMPWBFEYLDTGP-IBGZPJMESA-N 2 0 402.583 3.745 20 0 HHADRP CN1CC[C@@H](NC(=O)NCc2ccccc2Cn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000550960618 1010281636 /nfs/dbraw/zinc/28/16/36/1010281636.db2.gz GVWYQGVDBNGDPR-FGZHOGPDSA-N 2 0 423.948 3.829 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000551008410 1010313558 /nfs/dbraw/zinc/31/35/58/1010313558.db2.gz LFIZHEIOJNDVAC-NAMINWQUSA-N 2 0 406.636 3.858 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)c1 ZINC000551030041 1010326470 /nfs/dbraw/zinc/32/64/70/1010326470.db2.gz DXMGQEQNURVXBU-MRXNPFEDSA-N 2 0 422.392 3.579 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547502908 1010330420 /nfs/dbraw/zinc/33/04/20/1010330420.db2.gz KUWQYYYJBIIIFB-WQPRPRDESA-N 2 0 403.570 3.644 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000521524699 1010437860 /nfs/dbraw/zinc/43/78/60/1010437860.db2.gz XBFRXLSATBBTAJ-QFIPXVFZSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827428 1010441569 /nfs/dbraw/zinc/44/15/69/1010441569.db2.gz PNYDWLULYYUMEQ-IDJJCAIYSA-N 2 0 415.647 3.621 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521533580 1010444656 /nfs/dbraw/zinc/44/46/56/1010444656.db2.gz JZBFZHTWOANRDD-HSZRJFAPSA-N 2 0 423.576 3.861 20 0 HHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000521674305 1010540836 /nfs/dbraw/zinc/54/08/36/1010540836.db2.gz GSAJSVYYZJVKCD-CQSZACIVSA-N 2 0 410.331 3.644 20 0 HHADRP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000548159067 1010548711 /nfs/dbraw/zinc/54/87/11/1010548711.db2.gz LRTVOGCNTMBBFC-UHFFFAOYSA-N 2 0 409.496 3.774 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521685630 1010549817 /nfs/dbraw/zinc/54/98/17/1010549817.db2.gz ATEQVKYZMAEXQD-BGYRXZFFSA-N 2 0 406.590 3.657 20 0 HHADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000521685954 1010549974 /nfs/dbraw/zinc/54/99/74/1010549974.db2.gz ODJIVZSDECUGHH-QGZVFWFLSA-N 2 0 414.516 3.511 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000521686367 1010550797 /nfs/dbraw/zinc/55/07/97/1010550797.db2.gz YVMBZXAMGWXZQD-OAQYLSRUSA-N 2 0 420.960 3.855 20 0 HHADRP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521690381 1010553841 /nfs/dbraw/zinc/55/38/41/1010553841.db2.gz NIVGVCRJKYOVBJ-TZIWHRDSSA-N 2 0 409.496 3.528 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(I)c2)[C@H](C)C1 ZINC000551537454 1010645320 /nfs/dbraw/zinc/64/53/20/1010645320.db2.gz JGJXLFCOZLUTBK-QAPCUYQASA-N 2 0 416.347 3.518 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848921 1010657890 /nfs/dbraw/zinc/65/78/90/1010657890.db2.gz BAYUBJBPBUHAIA-AQNXPRMDSA-N 2 0 405.546 3.727 20 0 HHADRP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000551585227 1010678262 /nfs/dbraw/zinc/67/82/62/1010678262.db2.gz BPXIIDMCDUCTEO-YKSBVNFPSA-N 2 0 423.601 3.727 20 0 HHADRP C[NH+](C)CCOc1cccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000548700516 1010708469 /nfs/dbraw/zinc/70/84/69/1010708469.db2.gz AVDJIGBMAXXHPQ-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000521938531 1010726258 /nfs/dbraw/zinc/72/62/58/1010726258.db2.gz HZIORTVLRZMQIX-PZJWPPBQSA-N 2 0 401.526 3.986 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)[NH+]2CCCCC2)cc1 ZINC000545398501 1010772244 /nfs/dbraw/zinc/77/22/44/1010772244.db2.gz QERREKAUYFHZFG-HSZRJFAPSA-N 2 0 424.589 3.567 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000522079362 1010796422 /nfs/dbraw/zinc/79/64/22/1010796422.db2.gz YMHOGMMMLQYTTE-IBGZPJMESA-N 2 0 418.601 3.990 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088614 1010801956 /nfs/dbraw/zinc/80/19/56/1010801956.db2.gz RQAKVUOBNUXRDY-WIYYLYMNSA-N 2 0 400.592 3.562 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522293647 1010911267 /nfs/dbraw/zinc/91/12/67/1010911267.db2.gz HVZWAAQCYPTIOJ-JOCHJYFZSA-N 2 0 412.553 3.564 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202570 /nfs/dbraw/zinc/20/25/70/1011202570.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 2 0 424.511 3.624 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155714 1011280705 /nfs/dbraw/zinc/28/07/05/1011280705.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 2 0 406.574 3.784 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCCC1 ZINC000522849376 1011288744 /nfs/dbraw/zinc/28/87/44/1011288744.db2.gz QRDFRTOQAJAGSN-HSZRJFAPSA-N 2 0 416.525 3.823 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000540735179 1011386666 /nfs/dbraw/zinc/38/66/66/1011386666.db2.gz VLGKCSSXHBKYPE-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Br)cc1 ZINC000540954071 1011598549 /nfs/dbraw/zinc/59/85/49/1011598549.db2.gz FZPZKMIJFCUPBW-UVUJQTEASA-N 2 0 415.375 3.983 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990552 1011623664 /nfs/dbraw/zinc/62/36/64/1011623664.db2.gz NGFLEZYWMXTQIJ-LPHOPBHVSA-N 2 0 403.558 3.973 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000540991196 1011625206 /nfs/dbraw/zinc/62/52/06/1011625206.db2.gz DVEJJDSQVLEDFR-NLFFAJNJSA-N 2 0 404.558 3.739 20 0 HHADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032911 1011667020 /nfs/dbraw/zinc/66/70/20/1011667020.db2.gz CVBGOLKZCACYAL-GGAORHGYSA-N 2 0 416.610 3.929 20 0 HHADRP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536485366 1011696729 /nfs/dbraw/zinc/69/67/29/1011696729.db2.gz JLVABYBXTONJAK-FQEVSTJZSA-N 2 0 411.615 3.783 20 0 HHADRP Brc1cnc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000541065706 1011704295 /nfs/dbraw/zinc/70/42/95/1011704295.db2.gz SGXJQQZVLOSGRA-UHFFFAOYSA-N 2 0 423.424 3.593 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521053 1011711874 /nfs/dbraw/zinc/71/18/74/1011711874.db2.gz YONWWJHFZOPCCH-QUCCMNQESA-N 2 0 404.574 3.683 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000536664953 1011816790 /nfs/dbraw/zinc/81/67/90/1011816790.db2.gz ZAXVPXWPHSXVTQ-UHFFFAOYSA-N 2 0 401.624 3.766 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000536702054 1011871643 /nfs/dbraw/zinc/87/16/43/1011871643.db2.gz AVXOBFQKCWABLT-RUZDIDTESA-N 2 0 406.574 3.887 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000523436577 1011926729 /nfs/dbraw/zinc/92/67/29/1011926729.db2.gz VJETVNCBGCJSIE-UHFFFAOYSA-N 2 0 416.997 3.948 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000541254785 1011937080 /nfs/dbraw/zinc/93/70/80/1011937080.db2.gz IKNCKTMSXZPAPB-CQSZACIVSA-N 2 0 421.607 3.865 20 0 HHADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552055599 1012073109 /nfs/dbraw/zinc/07/31/09/1012073109.db2.gz VZWGLHJFUOLDCL-BKXWLNCVSA-N 2 0 408.590 3.778 20 0 HHADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552055601 1012073411 /nfs/dbraw/zinc/07/34/11/1012073411.db2.gz VZWGLHJFUOLDCL-PPWDSJTCSA-N 2 0 408.590 3.778 20 0 HHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000536857964 1012091635 /nfs/dbraw/zinc/09/16/35/1012091635.db2.gz MWXWEKKOAXDAMN-HSZRJFAPSA-N 2 0 423.557 3.524 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000536858595 1012092806 /nfs/dbraw/zinc/09/28/06/1012092806.db2.gz OYBDSLVUBBXPFV-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CC[C@@H](c4nc(C5CC5)no4)O2)C3)cc1 ZINC000552087747 1012101422 /nfs/dbraw/zinc/10/14/22/1012101422.db2.gz QBKJFQKEXCUWLD-YHINDDMVSA-N 2 0 408.546 3.952 20 0 HHADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)s1 ZINC000552090928 1012105856 /nfs/dbraw/zinc/10/58/56/1012105856.db2.gz XMFHTJDRJRDGMJ-CBZIJGRNSA-N 2 0 407.628 3.696 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000536874471 1012115922 /nfs/dbraw/zinc/11/59/22/1012115922.db2.gz CZRUNQQFGFPNKC-OAQYLSRUSA-N 2 0 423.601 3.901 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962973 1012256426 /nfs/dbraw/zinc/25/64/26/1012256426.db2.gz LSVHUKYGOCRKRG-ROUUACIJSA-N 2 0 401.576 3.559 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000523666383 1012261349 /nfs/dbraw/zinc/26/13/49/1012261349.db2.gz CGDKRFRRPVRICH-HXUWFJFHSA-N 2 0 400.611 3.840 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000541662985 1012491785 /nfs/dbraw/zinc/49/17/85/1012491785.db2.gz LLNHPJCXDONIDS-UHFFFAOYSA-N 2 0 408.590 3.518 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000523906933 1012622764 /nfs/dbraw/zinc/62/27/64/1012622764.db2.gz PVUOLHFQEHXPFC-HXUWFJFHSA-N 2 0 412.578 3.887 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000523907842 1012625171 /nfs/dbraw/zinc/62/51/71/1012625171.db2.gz HPBFFKDPNCRCGR-YKSBVNFPSA-N 2 0 408.590 3.684 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541915588 1012772788 /nfs/dbraw/zinc/77/27/88/1012772788.db2.gz RTAIOKZIVIBDEI-JVYGEBFASA-N 3 0 419.613 3.644 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1-c1ccc(F)cc1 ZINC000541918439 1012777003 /nfs/dbraw/zinc/77/70/03/1012777003.db2.gz BBIMBRDFAZRKFO-GAJHUEQPSA-N 2 0 408.521 3.737 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000552781438 1012786290 /nfs/dbraw/zinc/78/62/90/1012786290.db2.gz FDBZDKJOAYBKBL-XMMPIXPASA-N 2 0 409.574 3.859 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000524135943 1012921217 /nfs/dbraw/zinc/92/12/17/1012921217.db2.gz XTEZXUQUDJWIPQ-OFNKIYASSA-N 2 0 400.611 3.803 20 0 HHADRP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954089 1012940372 /nfs/dbraw/zinc/94/03/72/1012940372.db2.gz VHZZOVUVNHAKDV-VXKWHMMOSA-N 2 0 414.594 3.929 20 0 HHADRP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccsc2S1 ZINC000537485819 1012996862 /nfs/dbraw/zinc/99/68/62/1012996862.db2.gz GNRBPKPRITVVPE-IPELMVKDSA-N 2 0 403.617 3.552 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000537499774 1013011959 /nfs/dbraw/zinc/01/19/59/1013011959.db2.gz GUXCUSNMYIOHOO-UHFFFAOYSA-N 2 0 417.601 3.963 20 0 HHADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421521 1071903804 /nfs/dbraw/zinc/90/38/04/1071903804.db2.gz LYJLUPDZJHCQLZ-DNQXCXABSA-N 2 0 412.622 3.947 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000568757403 1071930981 /nfs/dbraw/zinc/93/09/81/1071930981.db2.gz CEQGTPBDLBALRM-UHFFFAOYSA-N 2 0 419.013 3.855 20 0 HHADRP COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1OC ZINC000571835972 1071982670 /nfs/dbraw/zinc/98/26/70/1071982670.db2.gz NHUGWTQBSIGDTO-KRWDZBQOSA-N 2 0 401.526 3.754 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000569776942 1072048132 /nfs/dbraw/zinc/04/81/32/1072048132.db2.gz MNCUPMLKSUPZTQ-QZTJIDSGSA-N 2 0 413.537 3.862 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccc(C)cc3)cc2)CC1 ZINC000897606487 1072335555 /nfs/dbraw/zinc/33/55/55/1072335555.db2.gz QDDHCINBMDULTD-DEOSSOPVSA-N 2 0 406.574 3.913 20 0 HHADRP Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc(F)c1F ZINC001143600669 1072437708 /nfs/dbraw/zinc/43/77/08/1072437708.db2.gz YPVJPXLNENBDTR-CEMLEFRQSA-N 2 0 408.533 3.754 20 0 HHADRP C[NH+](C)C1CCC([NH2+]CC[C@@H]2CCOC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001168290796 1072449888 /nfs/dbraw/zinc/44/98/88/1072449888.db2.gz ZDEXFWYZCXCMOO-XEVCZEQESA-N 2 0 409.615 3.645 20 0 HHADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168303993 1072467361 /nfs/dbraw/zinc/46/73/61/1072467361.db2.gz IWNARERXZPLMON-UHFFFAOYSA-N 2 0 416.610 3.706 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C(F)(F)F)C2)CC1 ZINC001168314497 1072494684 /nfs/dbraw/zinc/49/46/84/1072494684.db2.gz LZLSROUMYWTYID-GKSFYBEXSA-N 2 0 405.505 3.590 20 0 HHADRP CCC[N@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168324792 1072503966 /nfs/dbraw/zinc/50/39/66/1072503966.db2.gz XHUYKJBJSBCLRD-GTPINHCMSA-N 2 0 409.596 3.755 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)CC1 ZINC000760540108 1072563704 /nfs/dbraw/zinc/56/37/04/1072563704.db2.gz SCLRPGGYAPJJEL-QFIPXVFZSA-N 2 0 401.595 3.803 20 0 HHADRP CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000571448537 1072622151 /nfs/dbraw/zinc/62/21/51/1072622151.db2.gz KUYJHQAYGAZQIT-UHFFFAOYSA-N 2 0 404.618 3.912 20 0 HHADRP Brc1ccccc1-n1cc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000571451199 1072623087 /nfs/dbraw/zinc/62/30/87/1072623087.db2.gz CDEINWZZAKHLBV-UHFFFAOYSA-N 2 0 406.372 3.776 20 0 HHADRP O=C(/C=C\c1ccc(F)c2ccccc12)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001626002293 1072722790 /nfs/dbraw/zinc/72/27/90/1072722790.db2.gz CCGPDXYKAPBKMC-CLFYSBASSA-N 2 0 418.516 3.716 20 0 HHADRP CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870380 1072858899 /nfs/dbraw/zinc/85/88/99/1072858899.db2.gz RUADQYDYWCAYCI-ODTUPPAISA-N 2 0 421.585 3.763 20 0 HHADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711952 1073157629 /nfs/dbraw/zinc/15/76/29/1073157629.db2.gz VPUJHAALLHAUTR-TUFLPTIASA-N 2 0 415.622 3.636 20 0 HHADRP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000555109410 1073165398 /nfs/dbraw/zinc/16/53/98/1073165398.db2.gz PMSZTRWEVYWGOE-NRFANRHFSA-N 2 0 417.557 3.868 20 0 HHADRP CCOc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1O ZINC000572196312 1073225214 /nfs/dbraw/zinc/22/52/14/1073225214.db2.gz RMMZTYVXALTVQI-NRFANRHFSA-N 2 0 417.981 3.913 20 0 HHADRP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)cc(F)c1F ZINC001143605663 1073248978 /nfs/dbraw/zinc/24/89/78/1073248978.db2.gz PUPXURCVICRXEJ-UHFFFAOYSA-N 2 0 401.501 3.783 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228028 1073273442 /nfs/dbraw/zinc/27/34/42/1073273442.db2.gz TVQONZCHQHWFSI-FDTGPBLFSA-N 2 0 402.579 3.895 20 0 HHADRP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590157334 1073599028 /nfs/dbraw/zinc/59/90/28/1073599028.db2.gz LQMHOOURKBBGCX-OYRHEFFESA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000555582622 1073650515 /nfs/dbraw/zinc/65/05/15/1073650515.db2.gz DSHSFKQTQQPVTP-PZJWPPBQSA-N 2 0 409.549 3.784 20 0 HHADRP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000555695872 1073743410 /nfs/dbraw/zinc/74/34/10/1073743410.db2.gz QQSXCXYPGZERDD-RPBOFIJWSA-N 2 0 405.586 3.669 20 0 HHADRP COc1cc(NC(=O)CC[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)cc1Cl ZINC000555900315 1073950573 /nfs/dbraw/zinc/95/05/73/1073950573.db2.gz OFHSNIHPUULAAH-HOTGVXAUSA-N 2 0 411.974 3.643 20 0 HHADRP CC(C)[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+]1CCCCC1 ZINC000591177873 1074144843 /nfs/dbraw/zinc/14/48/43/1074144843.db2.gz XZQXKNJASUSQSK-HSZRJFAPSA-N 2 0 414.594 3.950 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000591164793 1074160147 /nfs/dbraw/zinc/16/01/47/1074160147.db2.gz IODGAMKWBIPZES-QHCPKHFHSA-N 2 0 401.595 3.534 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001649006124 1074189223 /nfs/dbraw/zinc/18/92/23/1074189223.db2.gz YAZOCSYFEHLKOF-JOCHJYFZSA-N 2 0 406.618 3.755 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000591426699 1074286147 /nfs/dbraw/zinc/28/61/47/1074286147.db2.gz OVDXLONTBXRLBF-HXUWFJFHSA-N 2 0 409.574 3.931 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591558134 1074406283 /nfs/dbraw/zinc/40/62/83/1074406283.db2.gz FCSPTOFWGOBEAF-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000591617443 1074444003 /nfs/dbraw/zinc/44/40/03/1074444003.db2.gz QZAHRHQJHBKFTO-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)c2)CC1 ZINC000591711964 1074501625 /nfs/dbraw/zinc/50/16/25/1074501625.db2.gz FPDRNTVGFYKBCU-UHFFFAOYSA-N 2 0 401.576 3.580 20 0 HHADRP CS(=O)(=O)Nc1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000592464488 1074761333 /nfs/dbraw/zinc/76/13/33/1074761333.db2.gz VUAOYNREUPYQJE-UHFFFAOYSA-N 2 0 421.994 3.713 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000592487480 1074768423 /nfs/dbraw/zinc/76/84/23/1074768423.db2.gz RHZDGFRKNGRWID-ZRCGQRJVSA-N 2 0 412.622 3.981 20 0 HHADRP C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574096180 1075166692 /nfs/dbraw/zinc/16/66/92/1075166692.db2.gz MTFDLWIHFZTFCW-GIALRWNJSA-N 2 0 421.585 3.523 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000593809748 1075227688 /nfs/dbraw/zinc/22/76/88/1075227688.db2.gz NQVCJKZTQBJNLD-RPBOFIJWSA-N 2 0 414.553 3.667 20 0 HHADRP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000593829938 1075229323 /nfs/dbraw/zinc/22/93/23/1075229323.db2.gz GDVRIJRWALGJFO-CTNGQTDRSA-N 2 0 409.496 3.528 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000594320992 1075294040 /nfs/dbraw/zinc/29/40/40/1075294040.db2.gz BOSPAUZHMHMWNO-UHFFFAOYSA-N 2 0 422.658 3.564 20 0 HHADRP Fc1cccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164646750 719296991 /nfs/dbraw/zinc/29/69/91/719296991.db2.gz BOXRPSMFUOQWQW-UPVQGACJSA-N 2 0 410.537 3.866 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC(C)C)cc[nH+]1)CC2 ZINC001164715585 720123767 /nfs/dbraw/zinc/12/37/67/720123767.db2.gz IFUKXAUBYNOHLU-NRFANRHFSA-N 2 0 410.562 3.771 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819026 720194866 /nfs/dbraw/zinc/19/48/66/720194866.db2.gz VNHXYIDAFZOGEQ-JBRSBNLGSA-N 2 0 412.622 3.813 20 0 HHADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838131 720654279 /nfs/dbraw/zinc/65/42/79/720654279.db2.gz GAOAZRWYWPQHQC-NRFANRHFSA-N 2 0 409.578 3.501 20 0 HHADRP CCOc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164756913 720888432 /nfs/dbraw/zinc/88/84/32/720888432.db2.gz SCPRYFUZFYMVPH-WIOPSUGQSA-N 2 0 422.573 3.630 20 0 HHADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)CC2)cc1 ZINC001164759876 721045609 /nfs/dbraw/zinc/04/56/09/721045609.db2.gz RKURMASXVLJWQS-UHFFFAOYSA-N 2 0 419.617 3.682 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165023253 721830668 /nfs/dbraw/zinc/83/06/68/721830668.db2.gz IKUTVQXIBBTPTN-FGCOXFRFSA-N 2 0 405.590 3.809 20 0 HHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C[N@H+](C)C3CC3)cn2)CC1 ZINC001165022998 721844269 /nfs/dbraw/zinc/84/42/69/721844269.db2.gz VVEBJJZADPMBGX-UHFFFAOYSA-N 2 0 424.589 3.794 20 0 HHADRP Cc1ccc(N(c2ncccc2C[NH+]2CCCC2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968713 722078714 /nfs/dbraw/zinc/07/87/14/722078714.db2.gz DIJSGXCJWDXGCW-UHFFFAOYSA-N 2 0 414.557 3.934 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000301388034 970901126 /nfs/dbraw/zinc/90/11/26/970901126.db2.gz DLGMTVCRYIKDLL-SFHVURJKSA-N 2 0 417.395 3.830 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000542141518 1013075675 /nfs/dbraw/zinc/07/56/75/1013075675.db2.gz XMNKEOFPCUSUIC-CQSZACIVSA-N 2 0 409.596 3.721 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000302989204 971439287 /nfs/dbraw/zinc/43/92/87/971439287.db2.gz FQIAWUHHWONEOD-QHCPKHFHSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000542146210 1013081109 /nfs/dbraw/zinc/08/11/09/1013081109.db2.gz YVOFOKNREXJYFP-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078959 971492314 /nfs/dbraw/zinc/49/23/14/971492314.db2.gz SURYOJTUOKFRSE-UPVQGACJSA-N 2 0 409.549 3.991 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000303550723 971848066 /nfs/dbraw/zinc/84/80/66/971848066.db2.gz JPHZEVCPIMRTGJ-LJQANCHMSA-N 2 0 414.594 3.584 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000303591939 971884687 /nfs/dbraw/zinc/88/46/87/971884687.db2.gz VJKGCTVUMIMKEV-UHFFFAOYSA-N 2 0 424.589 3.801 20 0 HHADRP Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OCC[NH+](C)C)c1 ZINC000303748596 972000922 /nfs/dbraw/zinc/00/09/22/972000922.db2.gz BEEXDSFOHUZWON-OAQYLSRUSA-N 2 0 416.610 3.911 20 0 HHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000537630949 1013183934 /nfs/dbraw/zinc/18/39/34/1013183934.db2.gz JBAMISBUCIPDNA-UHFFFAOYSA-N 2 0 414.594 3.856 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000542246838 1013204869 /nfs/dbraw/zinc/20/48/69/1013204869.db2.gz KIKWRVWUYZVSOT-UHFFFAOYSA-N 3 0 419.573 3.737 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)C1 ZINC000553314364 1013267481 /nfs/dbraw/zinc/26/74/81/1013267481.db2.gz IKXLSKFPLJGEPS-CVDCTZTESA-N 2 0 415.647 3.752 20 0 HHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000553340455 1013285184 /nfs/dbraw/zinc/28/51/84/1013285184.db2.gz HOWOQCAMCGIIDP-SFHVURJKSA-N 2 0 407.558 3.756 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000542367845 1013323189 /nfs/dbraw/zinc/32/31/89/1013323189.db2.gz WRBYXTUKPCPIJM-LJQANCHMSA-N 2 0 415.607 3.998 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553445872 1013359625 /nfs/dbraw/zinc/35/96/25/1013359625.db2.gz FQHMGOJIVWTJSM-WIOPSUGQSA-N 2 0 412.622 3.949 20 0 HHADRP COc1cc(NCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469692 1013377726 /nfs/dbraw/zinc/37/77/26/1013377726.db2.gz ZIZSDVFWMMGCDZ-JOCHJYFZSA-N 2 0 411.546 3.694 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000537844662 1013407658 /nfs/dbraw/zinc/40/76/58/1013407658.db2.gz BTUQZVSBUUCSJK-UHFFFAOYSA-N 2 0 418.488 3.860 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537875996 1013453093 /nfs/dbraw/zinc/45/30/93/1013453093.db2.gz WSMNDQKITFPGPE-GBXCKJPGSA-N 2 0 421.589 3.508 20 0 HHADRP COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048816620 964065462 /nfs/dbraw/zinc/06/54/62/964065462.db2.gz STYYRDWNPCGPEM-QZTJIDSGSA-N 2 0 414.546 3.611 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050137024 964274279 /nfs/dbraw/zinc/27/42/79/964274279.db2.gz XWMGAHYQMGNGIA-FQEVSTJZSA-N 2 0 400.592 3.521 20 0 HHADRP CCC1(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000553652690 1013523735 /nfs/dbraw/zinc/52/37/35/1013523735.db2.gz DGBLJIQUNXAYCQ-GGAORHGYSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000028899422 965210503 /nfs/dbraw/zinc/21/05/03/965210503.db2.gz NUVCGQWORUAOLF-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000537987517 1013562512 /nfs/dbraw/zinc/56/25/12/1013562512.db2.gz RKVPQMJZEANQND-QHCPKHFHSA-N 2 0 422.617 3.776 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000030664326 965760559 /nfs/dbraw/zinc/76/05/59/965760559.db2.gz CMJCLWUCSPBMCE-UHFFFAOYSA-N 2 0 403.574 3.655 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000059856759 966037965 /nfs/dbraw/zinc/03/79/65/966037965.db2.gz JKOLODNDEUBTCG-UHFFFAOYSA-N 2 0 415.965 3.675 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059986351 966047349 /nfs/dbraw/zinc/04/73/49/966047349.db2.gz ZTSAJWAFJDMRSB-PMACEKPBSA-N 2 0 400.611 3.707 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219984 966078258 /nfs/dbraw/zinc/07/82/58/966078258.db2.gz QFAYVWLZYNVQBC-DEOSSOPVSA-N 2 0 418.585 3.842 20 0 HHADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000060355297 966106762 /nfs/dbraw/zinc/10/67/62/966106762.db2.gz SHMGUNYNISXTHK-RUZDIDTESA-N 2 0 405.586 3.818 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000553804004 1013627016 /nfs/dbraw/zinc/62/70/16/1013627016.db2.gz FOIWUAJPNQTFHI-OAQYLSRUSA-N 2 0 407.002 3.897 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062699 1013639078 /nfs/dbraw/zinc/63/90/78/1013639078.db2.gz UPVOIIYUJYXHGM-QFIPXVFZSA-N 2 0 414.391 3.974 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000060954669 966335848 /nfs/dbraw/zinc/33/58/48/966335848.db2.gz CBTJLXFMSMPAOS-JOCHJYFZSA-N 2 0 414.981 3.907 20 0 HHADRP CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061070861 966364398 /nfs/dbraw/zinc/36/43/98/966364398.db2.gz IAVVIRBFPSJGOM-QFIPXVFZSA-N 2 0 424.589 3.943 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061230866 966404403 /nfs/dbraw/zinc/40/44/03/966404403.db2.gz NLIDSSGLFUTYBD-YKSBVNFPSA-N 2 0 406.574 3.570 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061231503 966404431 /nfs/dbraw/zinc/40/44/31/966404431.db2.gz XFNMDPBWOMOLNT-SFTDATJTSA-N 2 0 412.603 3.849 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056935743 966520428 /nfs/dbraw/zinc/52/04/28/966520428.db2.gz MVNININSYHSPPI-JOCHJYFZSA-N 2 0 416.516 3.531 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528614 966698186 /nfs/dbraw/zinc/69/81/86/966698186.db2.gz HLLAVNXIHMHXER-UHFFFAOYSA-N 2 0 422.683 3.692 20 0 HHADRP S=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144323 966759797 /nfs/dbraw/zinc/75/97/97/966759797.db2.gz LLWRQWYMHSOUBL-XMMPIXPASA-N 2 0 422.642 3.952 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150777 966764104 /nfs/dbraw/zinc/76/41/04/966764104.db2.gz IXAOSUSJYPVAEZ-WOJBJXKFSA-N 2 0 416.679 3.872 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063333402 966824275 /nfs/dbraw/zinc/82/42/75/966824275.db2.gz BFGSKHBAMQREDC-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000044277101 967180172 /nfs/dbraw/zinc/18/01/72/967180172.db2.gz KUGVJYXRWCRFEH-KDURUIRLSA-N 2 0 410.562 3.679 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccsc1 ZINC000045541315 967493327 /nfs/dbraw/zinc/49/33/27/967493327.db2.gz TZTZODIBDNSXRW-OAQYLSRUSA-N 2 0 400.592 3.836 20 0 HHADRP CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000538174683 1013733288 /nfs/dbraw/zinc/73/32/88/1013733288.db2.gz KRFIGDDMKVHPDQ-OAQYLSRUSA-N 2 0 409.574 3.779 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000046346469 967756118 /nfs/dbraw/zinc/75/61/18/967756118.db2.gz HQBOTRKVDGYGSM-OAQYLSRUSA-N 2 0 400.592 3.577 20 0 HHADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000538218381 1013769852 /nfs/dbraw/zinc/76/98/52/1013769852.db2.gz WHLOCGJYLVPCGL-DHIUTWEWSA-N 2 0 406.636 3.667 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000047777554 968309260 /nfs/dbraw/zinc/30/92/60/968309260.db2.gz SEYUHELRGBMUIU-VQTJNVASSA-N 2 0 402.514 3.548 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000554089546 1013793659 /nfs/dbraw/zinc/79/36/59/1013793659.db2.gz FVGQKVUWQIEWCO-SJLPKXTDSA-N 2 0 415.500 3.611 20 0 HHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000538274563 1013813898 /nfs/dbraw/zinc/81/38/98/1013813898.db2.gz BSDCKMPUQDDACK-HSZRJFAPSA-N 3 0 409.574 3.705 20 0 HHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052873 969042374 /nfs/dbraw/zinc/04/23/74/969042374.db2.gz XKSNBXFZBKUXON-OAQYLSRUSA-N 2 0 423.576 3.915 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627912 969049238 /nfs/dbraw/zinc/04/92/38/969049238.db2.gz NVKHLMXAAPLNFE-QFIPXVFZSA-N 2 0 406.574 3.679 20 0 HHADRP COc1cccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)c1 ZINC000108929492 969435729 /nfs/dbraw/zinc/43/57/29/969435729.db2.gz XNIAVVMXOARWJA-ZCYQVOJMSA-N 2 0 421.585 3.861 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000109898200 969588930 /nfs/dbraw/zinc/58/89/30/969588930.db2.gz SMBKZLACBFYIQO-UHFFFAOYSA-N 2 0 420.601 3.743 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)CC1 ZINC000109900461 969590071 /nfs/dbraw/zinc/59/00/71/969590071.db2.gz GQODJFHTXIWWKZ-UHFFFAOYSA-N 2 0 412.622 3.601 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1)C(C)C ZINC000110121508 969625836 /nfs/dbraw/zinc/62/58/36/969625836.db2.gz CNTXTUCZNGNFMR-UHFFFAOYSA-N 2 0 408.590 3.917 20 0 HHADRP CC1CC[NH+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000110174590 969632831 /nfs/dbraw/zinc/63/28/31/969632831.db2.gz BJPTYQQRZHHCBN-OAQYLSRUSA-N 2 0 411.512 3.679 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702060 969967788 /nfs/dbraw/zinc/96/77/88/969967788.db2.gz HKTFANUMOZTRRK-GOTSBHOMSA-N 2 0 419.569 3.755 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000236802288 970174348 /nfs/dbraw/zinc/17/43/48/970174348.db2.gz ITFLUISZPKBVEP-UHFFFAOYSA-N 2 0 413.562 3.534 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849864 970180337 /nfs/dbraw/zinc/18/03/37/970180337.db2.gz LGQJSOJWJRAMAW-OAQYLSRUSA-N 2 0 403.574 3.655 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000237074503 970217891 /nfs/dbraw/zinc/21/78/91/970217891.db2.gz KYPLIGVMUFOZJC-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000237083990 970219422 /nfs/dbraw/zinc/21/94/22/970219422.db2.gz FEIHIFIOXQXIOG-UHFFFAOYSA-N 2 0 423.992 3.920 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144274059 970226924 /nfs/dbraw/zinc/22/69/24/970226924.db2.gz CXLHVEAEIWXZIZ-SFHVURJKSA-N 2 0 414.516 3.511 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000237163908 970233413 /nfs/dbraw/zinc/23/34/13/970233413.db2.gz VEEHNZGBWBIKIB-UHFFFAOYSA-N 2 0 418.029 3.565 20 0 HHADRP COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237187484 970238045 /nfs/dbraw/zinc/23/80/45/970238045.db2.gz XAYAEQOXBCKHGF-NZQKXSOJSA-N 2 0 410.558 3.998 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237207753 970241654 /nfs/dbraw/zinc/24/16/54/970241654.db2.gz FLAPJDOHQCRCRR-UHFFFAOYSA-N 2 0 408.409 3.905 20 0 HHADRP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237255904 970249404 /nfs/dbraw/zinc/24/94/04/970249404.db2.gz ZEGORRQVILNCBH-JOCHJYFZSA-N 2 0 417.553 3.836 20 0 HHADRP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237377637 970273540 /nfs/dbraw/zinc/27/35/40/970273540.db2.gz SUVPUNQSQVDETC-KDURUIRLSA-N 2 0 420.557 3.984 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000237387707 970275777 /nfs/dbraw/zinc/27/57/77/970275777.db2.gz LUZJSOCDWSBYGB-KRWDZBQOSA-N 2 0 404.002 3.684 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2cc1C ZINC000554540720 1013974026 /nfs/dbraw/zinc/97/40/26/1013974026.db2.gz FMGXGZHMWJYQCE-YMPZKCBVSA-N 2 0 406.574 3.514 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000237589775 970318235 /nfs/dbraw/zinc/31/82/35/970318235.db2.gz IKVWHNFDCGNVLS-OAQYLSRUSA-N 2 0 403.574 3.512 20 0 HHADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237608923 970322347 /nfs/dbraw/zinc/32/23/47/970322347.db2.gz VYDHIETWLMNESR-HDICACEKSA-N 2 0 404.986 3.872 20 0 HHADRP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000554583011 1013982538 /nfs/dbraw/zinc/98/25/38/1013982538.db2.gz PTOIVJGDOPUFLM-BGYRXZFFSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148965835 970377586 /nfs/dbraw/zinc/37/75/86/970377586.db2.gz ONOOXGWTPMJDFK-LAUBAEHRSA-N 2 0 418.582 3.701 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195606778 970548919 /nfs/dbraw/zinc/54/89/19/970548919.db2.gz WAANTTQRXPERKN-ZEQRLZLVSA-N 2 0 406.574 3.787 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000252166281 970554908 /nfs/dbraw/zinc/55/49/08/970554908.db2.gz QMXLEQNZNWBPTF-FUPPJEDESA-N 2 0 400.611 3.881 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC000261414813 970662453 /nfs/dbraw/zinc/66/24/53/970662453.db2.gz BFCSGFWWTHCEKN-UHFFFAOYSA-N 2 0 424.589 3.800 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310137 973851228 /nfs/dbraw/zinc/85/12/28/973851228.db2.gz HQRQBPZLOSACFY-OAQYLSRUSA-N 2 0 400.611 3.647 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410310292 973852806 /nfs/dbraw/zinc/85/28/06/973852806.db2.gz IOJPIYDKUDDKMH-RUZDIDTESA-N 2 0 420.601 3.657 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000410341333 973925966 /nfs/dbraw/zinc/92/59/66/973925966.db2.gz VSNGNCSBFQAVMF-HXUWFJFHSA-N 2 0 400.611 3.981 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000410345311 973932333 /nfs/dbraw/zinc/93/23/33/973932333.db2.gz QAMLBVOGPIDNFR-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](Cc3cccnc3)c3cccc(Cl)c3)ccn2)CC1 ZINC000425924018 974035122 /nfs/dbraw/zinc/03/51/22/974035122.db2.gz MMBGTPBFARQGIL-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425938148 974048353 /nfs/dbraw/zinc/04/83/53/974048353.db2.gz PCOBQLNRXZBPEF-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)CCC(F)(F)F ZINC000425977049 974086260 /nfs/dbraw/zinc/08/62/60/974086260.db2.gz JBPAXGJYWPKHMD-PKOBYXMFSA-N 2 0 414.516 3.613 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000425978606 974087713 /nfs/dbraw/zinc/08/77/13/974087713.db2.gz IAHKSTZONHCTCK-NRFANRHFSA-N 2 0 412.553 3.795 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)C1CC[NH+](C)CC1 ZINC000425978607 974088487 /nfs/dbraw/zinc/08/84/87/974088487.db2.gz IAHKSTZONHCTCK-OAQYLSRUSA-N 2 0 412.553 3.795 20 0 HHADRP C[NH+](C)CC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000426121175 974244676 /nfs/dbraw/zinc/24/46/76/974244676.db2.gz YDUZYMKAGXRGIH-UHFFFAOYSA-N 2 0 414.594 3.952 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000426145033 974264644 /nfs/dbraw/zinc/26/46/44/974264644.db2.gz XVEKMGDVMRFYIM-UHFFFAOYSA-N 2 0 402.583 3.795 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1O ZINC000426161079 974274165 /nfs/dbraw/zinc/27/41/65/974274165.db2.gz LQCJDOHLVNWKFH-ROUUACIJSA-N 2 0 415.553 3.964 20 0 HHADRP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426766162 974643348 /nfs/dbraw/zinc/64/33/48/974643348.db2.gz XJMKITFZRNUYOC-NJDAHSKKSA-N 2 0 413.606 3.566 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426769391 974645943 /nfs/dbraw/zinc/64/59/43/974645943.db2.gz ILXBTJANDXYMPU-QZTJIDSGSA-N 2 0 405.558 3.674 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426802840 974672234 /nfs/dbraw/zinc/67/22/34/974672234.db2.gz YDJSHRGFCKJGST-HDICACEKSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426837504 974701916 /nfs/dbraw/zinc/70/19/16/974701916.db2.gz YHSIZKDUDQZSNH-VAMGGRTRSA-N 2 0 419.585 3.556 20 0 HHADRP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243763 975559495 /nfs/dbraw/zinc/55/94/95/975559495.db2.gz UPEIXSMZLXRGCV-OPBMBUAESA-N 2 0 407.606 3.669 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428648654 975950152 /nfs/dbraw/zinc/95/01/52/975950152.db2.gz DBMVBCUPXKYYCY-JTHBVZDNSA-N 2 0 400.611 3.851 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)C1 ZINC000428880607 976171666 /nfs/dbraw/zinc/17/16/66/976171666.db2.gz LFSBEMGARXESJU-MRXNPFEDSA-N 2 0 411.493 3.754 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900509 976202430 /nfs/dbraw/zinc/20/24/30/976202430.db2.gz HVNCBYOTCPNANS-UNMCSNQZSA-N 2 0 424.589 3.968 20 0 HHADRP C[C@H]1C[NH+](CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933766 976233847 /nfs/dbraw/zinc/23/38/47/976233847.db2.gz VFCMUJAACUYTTP-SFTDATJTSA-N 2 0 422.658 3.562 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501192 976757386 /nfs/dbraw/zinc/75/73/86/976757386.db2.gz HPDLNLBBPBVNTG-QHCPKHFHSA-N 2 0 412.622 3.729 20 0 HHADRP c1cc(C2CC[NH+](CC3(C[NH+]4CCC(c5ccncc5)CC4)COC3)CC2)ccn1 ZINC000429526900 976785301 /nfs/dbraw/zinc/78/53/01/976785301.db2.gz FHLPZNFVXCUMDR-UHFFFAOYSA-N 2 0 406.574 3.552 20 0 HHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555909 976823959 /nfs/dbraw/zinc/82/39/59/976823959.db2.gz NUUZUQJTDSCQNV-DHIUTWEWSA-N 2 0 418.528 3.848 20 0 HHADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555914 976824234 /nfs/dbraw/zinc/82/42/34/976824234.db2.gz NUUZUQJTDSCQNV-XZOQPEGZSA-N 2 0 418.528 3.848 20 0 HHADRP COc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000430757610 977734688 /nfs/dbraw/zinc/73/46/88/977734688.db2.gz WUYCOZZFJOGKOF-PMACEKPBSA-N 2 0 412.578 3.592 20 0 HHADRP CCn1c2ccc(F)cc2nc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430916130 977884202 /nfs/dbraw/zinc/88/42/02/977884202.db2.gz UDVXOHDUVFNUFR-UHFFFAOYSA-N 2 0 415.601 3.823 20 0 HHADRP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933976 977898306 /nfs/dbraw/zinc/89/83/06/977898306.db2.gz KKBLEBPPQFGQJN-SFHVURJKSA-N 2 0 421.029 3.795 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000431074118 978004723 /nfs/dbraw/zinc/00/47/23/978004723.db2.gz QATMBKKLVXUTBK-REWPJTCUSA-N 2 0 415.626 3.769 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431122087 978032273 /nfs/dbraw/zinc/03/22/73/978032273.db2.gz YSRDVIUGEHHRFA-UHFFFAOYSA-N 2 0 412.582 3.622 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000431126487 978035158 /nfs/dbraw/zinc/03/51/58/978035158.db2.gz MMRMPTDSCRJEFH-OAQYLSRUSA-N 2 0 412.582 3.663 20 0 HHADRP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150612 978051891 /nfs/dbraw/zinc/05/18/91/978051891.db2.gz GRCPKJSSPAJKRK-FPOVZHCZSA-N 2 0 424.593 3.633 20 0 HHADRP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431150616 978052687 /nfs/dbraw/zinc/05/26/87/978052687.db2.gz GRCPKJSSPAJKRK-TZIWHRDSSA-N 2 0 424.593 3.633 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000431330354 978216183 /nfs/dbraw/zinc/21/61/83/978216183.db2.gz VRYWZDZSNPKNOF-HXUWFJFHSA-N 2 0 400.954 3.799 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000431677031 978429740 /nfs/dbraw/zinc/42/97/40/978429740.db2.gz TVRKKCOPPRHJMX-KWOQKUFVSA-N 2 0 424.589 3.650 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431699930 978444386 /nfs/dbraw/zinc/44/43/86/978444386.db2.gz SXTDTZPFAJKYJG-NZQKXSOJSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854703 978553825 /nfs/dbraw/zinc/55/38/25/978553825.db2.gz PNHLMOJJVBMSQL-TXTKFYIRSA-N 2 0 405.627 3.521 20 0 HHADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000431872013 978565881 /nfs/dbraw/zinc/56/58/81/978565881.db2.gz XYNMWURCSSPALI-UHFFFAOYSA-N 2 0 407.002 3.678 20 0 HHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432366139 978780211 /nfs/dbraw/zinc/78/02/11/978780211.db2.gz BZKDEAKNGVMIKS-IBGZPJMESA-N 2 0 414.594 3.904 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000432790549 978975312 /nfs/dbraw/zinc/97/53/12/978975312.db2.gz CMPNJGQNKGCQPW-UHFFFAOYSA-N 2 0 405.586 3.739 20 0 HHADRP CC[C@]1(CO)CCC[NH+](Cc2cc(C[N@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792089 978975571 /nfs/dbraw/zinc/97/55/71/978975571.db2.gz IOTQZQONHMPDTR-DQEYMECFSA-N 2 0 418.622 3.664 20 0 HHADRP COc1cc(C[NH+](C)[C@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855813 978993376 /nfs/dbraw/zinc/99/33/76/978993376.db2.gz TVIFSMSULSFFOY-QZTJIDSGSA-N 2 0 410.566 3.548 20 0 HHADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000433014538 979042203 /nfs/dbraw/zinc/04/22/03/979042203.db2.gz SLTGJFXMLRLJNS-UHFFFAOYSA-N 2 0 415.603 3.603 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000433113480 979079703 /nfs/dbraw/zinc/07/97/03/979079703.db2.gz CKCFQGGVBUJSSY-LJQANCHMSA-N 2 0 402.583 3.745 20 0 HHADRP Cc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000433198043 979135376 /nfs/dbraw/zinc/13/53/76/979135376.db2.gz VSRVUGRIUKOBMX-QFIPXVFZSA-N 2 0 407.602 3.947 20 0 HHADRP CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1)CC(C)C ZINC000433870873 979639133 /nfs/dbraw/zinc/63/91/33/979639133.db2.gz SVFHGJLZOZEGHC-UHFFFAOYSA-N 2 0 409.640 3.517 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433916927 979678337 /nfs/dbraw/zinc/67/83/37/979678337.db2.gz BUZXBLUSUDDOFT-HGHGUNKESA-N 2 0 422.976 3.788 20 0 HHADRP CN(C)C(=O)CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000434097344 979846879 /nfs/dbraw/zinc/84/68/79/979846879.db2.gz GRESRPWKKLGQCJ-UHFFFAOYSA-N 2 0 418.541 3.804 20 0 HHADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449239 980188668 /nfs/dbraw/zinc/18/86/68/980188668.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 2 0 409.496 3.574 20 0 HHADRP Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435520935 980916967 /nfs/dbraw/zinc/91/69/67/980916967.db2.gz UJVPOFRPNJTTKC-QFIPXVFZSA-N 2 0 424.593 3.636 20 0 HHADRP Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435527168 980920783 /nfs/dbraw/zinc/92/07/83/980920783.db2.gz KUKNVGGZCLIQJV-JOCHJYFZSA-N 2 0 424.593 3.633 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436406381 981351532 /nfs/dbraw/zinc/35/15/32/981351532.db2.gz GEGJKYUCQXARNZ-HNAYVOBHSA-N 2 0 419.919 3.665 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000436418817 981358502 /nfs/dbraw/zinc/35/85/02/981358502.db2.gz YFPSUULIZCAJCQ-GHTZIAJQSA-N 2 0 413.528 3.790 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000448205423 981617317 /nfs/dbraw/zinc/61/73/17/981617317.db2.gz PSUNDELAMMHPJY-LEWJYISDSA-N 2 0 400.611 3.879 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000448205425 981617403 /nfs/dbraw/zinc/61/74/03/981617403.db2.gz PSUNDELAMMHPJY-RTWAWAEBSA-N 2 0 400.611 3.879 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218261 981632902 /nfs/dbraw/zinc/63/29/02/981632902.db2.gz UFWQRWWQCNXZIV-IOMROCGXSA-N 2 0 404.624 3.789 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)C1 ZINC000448369639 981728771 /nfs/dbraw/zinc/72/87/71/981728771.db2.gz APLMSQIIOZJWSA-WOJBJXKFSA-N 2 0 402.583 3.569 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)C1 ZINC000448369637 981728994 /nfs/dbraw/zinc/72/89/94/981728994.db2.gz APLMSQIIOZJWSA-UXHICEINSA-N 2 0 402.583 3.569 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000448466732 981802163 /nfs/dbraw/zinc/80/21/63/981802163.db2.gz NTKUXFXDHBRYCJ-VIZSFHNOSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000448467825 981804356 /nfs/dbraw/zinc/80/43/56/981804356.db2.gz RRYWRGSSIYFOQN-PUHATCMVSA-N 2 0 400.611 3.831 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccsc1 ZINC000460173772 981946181 /nfs/dbraw/zinc/94/61/81/981946181.db2.gz ZRWXQHOUCIPFSL-BAGYTPMASA-N 2 0 412.603 3.514 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460254890 982031762 /nfs/dbraw/zinc/03/17/62/982031762.db2.gz WKSVVEVPIIYJNP-HNNXBMFYSA-N 2 0 418.916 3.821 20 0 HHADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)ccc2n1 ZINC000437783341 982353623 /nfs/dbraw/zinc/35/36/23/982353623.db2.gz ZYKRKKFBJULHNT-UHFFFAOYSA-N 2 0 402.542 3.659 20 0 HHADRP C[C@@H](C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090119 982582320 /nfs/dbraw/zinc/58/23/20/982582320.db2.gz AOZSYAQGOFJBKM-FQEVSTJZSA-N 2 0 411.565 3.889 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438270172 982691564 /nfs/dbraw/zinc/69/15/64/982691564.db2.gz KUYOKVSSKOSRCV-HSZRJFAPSA-N 2 0 415.626 3.947 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438386850 982758775 /nfs/dbraw/zinc/75/87/75/982758775.db2.gz JWHAKQLAVGISFP-GOSISDBHSA-N 2 0 400.489 3.671 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000438542821 982880912 /nfs/dbraw/zinc/88/09/12/982880912.db2.gz VYLIOLGGDKAJDZ-QGZVFWFLSA-N 2 0 400.489 3.894 20 0 HHADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000461399669 983069935 /nfs/dbraw/zinc/06/99/35/983069935.db2.gz BWLZKSZZJYCNRS-UHFFFAOYSA-N 2 0 403.615 3.723 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000438833574 983103700 /nfs/dbraw/zinc/10/37/00/983103700.db2.gz XUHBPXZAJVLESD-SJTCKAEWSA-N 2 0 407.602 3.655 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438846456 983113731 /nfs/dbraw/zinc/11/37/31/983113731.db2.gz BEIOSSBPCCDUMX-QHAWAJNXSA-N 2 0 415.626 3.664 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)CC(C)C ZINC000438857666 983123437 /nfs/dbraw/zinc/12/34/37/983123437.db2.gz AFOZCAWDSFXLHL-KNQAVFIVSA-N 2 0 403.615 3.663 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438864270 983129727 /nfs/dbraw/zinc/12/97/27/983129727.db2.gz JOCLGXNKGOIQAE-SIKLNZKXSA-N 2 0 401.599 3.561 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977048 983190936 /nfs/dbraw/zinc/19/09/36/983190936.db2.gz SENSRXLBPBHSOY-RDPSFJRHSA-N 2 0 421.589 3.743 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439144991 983271605 /nfs/dbraw/zinc/27/16/05/983271605.db2.gz WMKKEVSCCMBULB-GOSISDBHSA-N 2 0 400.430 3.825 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000439180233 983295321 /nfs/dbraw/zinc/29/53/21/983295321.db2.gz RMXAPMHOJKHHBN-QHAWAJNXSA-N 2 0 404.986 3.745 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000440181612 983672814 /nfs/dbraw/zinc/67/28/14/983672814.db2.gz BRGKHSZQJZFRAU-NRFANRHFSA-N 2 0 423.605 3.689 20 0 HHADRP CC(C)(Cc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000440574708 983800687 /nfs/dbraw/zinc/80/06/87/983800687.db2.gz CHBKCAJSWJTMQQ-UHFFFAOYSA-N 2 0 414.981 3.632 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440818803 983920337 /nfs/dbraw/zinc/92/03/37/983920337.db2.gz VBOQPXVXOMASPD-UDTLNKQYSA-N 2 0 400.611 3.838 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441014219 984022577 /nfs/dbraw/zinc/02/25/77/984022577.db2.gz WAQNESAMEXORBB-UHFFFAOYSA-N 2 0 422.658 3.565 20 0 HHADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243496 984134317 /nfs/dbraw/zinc/13/43/17/984134317.db2.gz JDMHNVMGTAFCMG-VFNWGFHPSA-N 2 0 409.496 3.831 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441349744 984201264 /nfs/dbraw/zinc/20/12/64/984201264.db2.gz SZIAJNJPSGQFFK-UHFFFAOYSA-N 2 0 409.603 3.716 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1(C)C ZINC000441353130 984202957 /nfs/dbraw/zinc/20/29/57/984202957.db2.gz GIQBMNSOARGWDE-UHFFFAOYSA-N 2 0 412.525 3.945 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000441519731 984299976 /nfs/dbraw/zinc/29/99/76/984299976.db2.gz BCCVQMOPMSMUTO-UGAUIIJPSA-N 2 0 412.622 3.803 20 0 HHADRP C[N@H+](C[C@H](O)COCc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000441612790 984355499 /nfs/dbraw/zinc/35/54/99/984355499.db2.gz PCPMGQAPLUOHON-UNMCSNQZSA-N 2 0 402.966 3.671 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461799693 984786591 /nfs/dbraw/zinc/78/65/91/984786591.db2.gz GBWAQRMTDRYLMY-LJQANCHMSA-N 2 0 401.545 3.734 20 0 HHADRP C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234619 985455811 /nfs/dbraw/zinc/45/58/11/985455811.db2.gz APJCULLSCFALCU-YKSBVNFPSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980529 985625339 /nfs/dbraw/zinc/62/53/39/985625339.db2.gz ZCIXFDIJGGGPMO-GMAHTHKFSA-N 2 0 413.606 3.706 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468001370 985650385 /nfs/dbraw/zinc/65/03/85/985650385.db2.gz BGLIDDNBDMIGHI-FUPPJEDESA-N 2 0 400.611 3.879 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462748611 985689881 /nfs/dbraw/zinc/68/98/81/985689881.db2.gz DQHHADQFIUWBCA-RPWUZVMVSA-N 2 0 412.622 3.949 20 0 HHADRP C[NH+](C)CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751021 985692079 /nfs/dbraw/zinc/69/20/79/985692079.db2.gz STFNPJPPSPSYMV-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000462807159 985738574 /nfs/dbraw/zinc/73/85/74/985738574.db2.gz WXEBDUMOQOVWJF-SFHVURJKSA-N 2 0 403.464 3.647 20 0 HHADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596224 985773307 /nfs/dbraw/zinc/77/33/07/985773307.db2.gz VUEAUDUSLKLSOM-FQEVSTJZSA-N 2 0 410.606 3.803 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443604084 985780923 /nfs/dbraw/zinc/78/09/23/985780923.db2.gz SBYCKFCZGFSXPI-SFHVURJKSA-N 2 0 400.567 3.560 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1)C1CC[NH+](C)CC1 ZINC000463062176 986018768 /nfs/dbraw/zinc/01/87/68/986018768.db2.gz NXEDBNKKKQJBRG-UHFFFAOYSA-N 2 0 409.578 3.857 20 0 HHADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077433 /nfs/dbraw/zinc/07/74/33/986077433.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 2 0 409.593 3.987 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087723 /nfs/dbraw/zinc/08/77/23/986087723.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 2 0 405.602 3.559 20 0 HHADRP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463244828 986212674 /nfs/dbraw/zinc/21/26/74/986212674.db2.gz YZRHPLGTLMCMEI-RCXJIHSJSA-N 2 0 407.602 3.920 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468656121 986367252 /nfs/dbraw/zinc/36/72/52/986367252.db2.gz RTLMUGIQVOXYAL-QGZVFWFLSA-N 2 0 418.379 3.967 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444201685 986380912 /nfs/dbraw/zinc/38/09/12/986380912.db2.gz CLESYOXIVBLYPP-OAQYLSRUSA-N 2 0 409.578 3.626 20 0 HHADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnn1C(C)(C)C ZINC000468777375 986489324 /nfs/dbraw/zinc/48/93/24/986489324.db2.gz BQHBBCOKHZDWIX-SFHVURJKSA-N 2 0 411.594 3.623 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783490 /nfs/dbraw/zinc/78/34/90/986783490.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 2 0 417.597 3.950 20 0 HHADRP C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000444606124 986793527 /nfs/dbraw/zinc/79/35/27/986793527.db2.gz FLBLUSCGNVIRNR-UHFFFAOYSA-N 2 0 406.574 3.595 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522177 987197842 /nfs/dbraw/zinc/19/78/42/987197842.db2.gz OSSKTXKJDNBDDQ-FCHUYYIVSA-N 2 0 412.622 3.555 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469554898 987225704 /nfs/dbraw/zinc/22/57/04/987225704.db2.gz UQNSBIWGAWQQTD-FQEVSTJZSA-N 2 0 403.452 3.987 20 0 HHADRP CCOCCCN1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000469787792 987432778 /nfs/dbraw/zinc/43/27/78/987432778.db2.gz RIFLGBOARPYGQL-NZNCXITGSA-N 2 0 421.434 3.828 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000469794040 987437590 /nfs/dbraw/zinc/43/75/90/987437590.db2.gz LQUJZDXSVNEFCC-HNAYVOBHSA-N 2 0 417.363 3.694 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470052617 987943920 /nfs/dbraw/zinc/94/39/20/987943920.db2.gz CCQFJVYBZXWFQO-LJQANCHMSA-N 2 0 414.516 3.872 20 0 HHADRP CC(C)[NH+](CCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000470472491 988460325 /nfs/dbraw/zinc/46/03/25/988460325.db2.gz GOBUWCDXNRYQJE-NHCUHLMSSA-N 2 0 418.626 3.604 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470601182 988618633 /nfs/dbraw/zinc/61/86/33/988618633.db2.gz UUQBXAVHFIZSRU-IBGZPJMESA-N 2 0 423.479 3.679 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470680469 988704712 /nfs/dbraw/zinc/70/47/12/988704712.db2.gz DYDDKSRJLLAAAB-DEOSSOPVSA-N 2 0 423.626 3.972 20 0 HHADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739209 988777158 /nfs/dbraw/zinc/77/71/58/988777158.db2.gz YVDLOCVXPZMXKE-FCHUYYIVSA-N 2 0 410.562 3.723 20 0 HHADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470739210 988777209 /nfs/dbraw/zinc/77/72/09/988777209.db2.gz YVDLOCVXPZMXKE-FGZHOGPDSA-N 2 0 410.562 3.723 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470752814 988794677 /nfs/dbraw/zinc/79/46/77/988794677.db2.gz BQLXWJGJOHJKSV-JOCHJYFZSA-N 2 0 412.622 3.792 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000470968386 989032870 /nfs/dbraw/zinc/03/28/70/989032870.db2.gz PXNCEICSCSMVEA-JOCHJYFZSA-N 2 0 405.586 3.946 20 0 HHADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(Cl)cc1F ZINC000470996817 989062667 /nfs/dbraw/zinc/06/26/67/989062667.db2.gz LGVRUVGBAFVDLF-HDICACEKSA-N 2 0 401.913 3.872 20 0 HHADRP C[C@@H](OC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998561 989064361 /nfs/dbraw/zinc/06/43/61/989064361.db2.gz YWPLWUGBPQKUQQ-UWSZBUKDSA-N 2 0 414.977 3.842 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000464960086 989259817 /nfs/dbraw/zinc/25/98/17/989259817.db2.gz JICWHISOBTWRNB-OAQYLSRUSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000465019130 989339270 /nfs/dbraw/zinc/33/92/70/989339270.db2.gz ZPIZKAUSYBVHGQ-NOZRDPDXSA-N 2 0 412.622 3.662 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000471374830 989551369 /nfs/dbraw/zinc/55/13/69/989551369.db2.gz SYLKRQBPHVAUMP-GXKRZCMTSA-N 2 0 414.619 3.807 20 0 HHADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471375872 989552090 /nfs/dbraw/zinc/55/20/90/989552090.db2.gz IUMROKPIAILLNG-UHFFFAOYSA-N 2 0 409.599 3.931 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465211046 989560442 /nfs/dbraw/zinc/56/04/42/989560442.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 2 0 411.512 3.535 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471515010 989714426 /nfs/dbraw/zinc/71/44/26/989714426.db2.gz OOJFYXXAZDIMKO-HSZRJFAPSA-N 2 0 420.601 3.994 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000465403677 989751253 /nfs/dbraw/zinc/75/12/53/989751253.db2.gz HRICDWLJPNTZLJ-QHCPKHFHSA-N 2 0 416.610 3.643 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465421532 989767070 /nfs/dbraw/zinc/76/70/70/989767070.db2.gz LBUURULJVWGWLE-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437962 989783534 /nfs/dbraw/zinc/78/35/34/989783534.db2.gz XACKPONPLOXPHB-YKSBVNFPSA-N 2 0 424.589 3.604 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491653 989839485 /nfs/dbraw/zinc/83/94/85/989839485.db2.gz VCKBLSUAHDTAHA-IFMALSPDSA-N 2 0 404.599 3.594 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465516028 989869036 /nfs/dbraw/zinc/86/90/36/989869036.db2.gz AMRGCUXPRDCMJE-HMCFTDRDSA-N 2 0 412.622 3.979 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465536989 989900995 /nfs/dbraw/zinc/90/09/95/989900995.db2.gz FXQBONJHFUPACK-FAKFISEUSA-N 2 0 400.611 3.789 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000465558833 989924274 /nfs/dbraw/zinc/92/42/74/989924274.db2.gz UNXIRMIGPGSWJA-HSZRJFAPSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465577575 989947510 /nfs/dbraw/zinc/94/75/10/989947510.db2.gz SXJBTANVILUGFB-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000465582142 989953824 /nfs/dbraw/zinc/95/38/24/989953824.db2.gz ZNAFSZTZVOTZSS-NRFANRHFSA-N 2 0 400.611 3.792 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465586783 989961703 /nfs/dbraw/zinc/96/17/03/989961703.db2.gz BWLVBMQECPLPHQ-JOCHJYFZSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000465633631 990019274 /nfs/dbraw/zinc/01/92/74/990019274.db2.gz VRJZUMYAARASJV-DEOSSOPVSA-N 2 0 408.590 3.802 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000465723708 990109395 /nfs/dbraw/zinc/10/93/95/990109395.db2.gz RBEYIOPIMXHHAD-INIZCTEOSA-N 2 0 424.014 3.507 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724761 990110396 /nfs/dbraw/zinc/11/03/96/990110396.db2.gz NZLLDKUGJTYJQT-KIFXHHALSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727257 990112494 /nfs/dbraw/zinc/11/24/94/990112494.db2.gz OYXYQOCJJPHJNB-PMACEKPBSA-N 2 0 424.511 3.744 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465739404 990124925 /nfs/dbraw/zinc/12/49/25/990124925.db2.gz DZVPRWBAKBPJLE-ZPFZUWPUSA-N 2 0 414.638 3.906 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000465755246 990141546 /nfs/dbraw/zinc/14/15/46/990141546.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 2 0 408.590 3.672 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000465860848 990971843 /nfs/dbraw/zinc/97/18/43/990971843.db2.gz DCHMSZHTAABWFE-HSZRJFAPSA-N 2 0 400.611 3.505 20 0 HHADRP CCSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000465890207 991014886 /nfs/dbraw/zinc/01/48/86/991014886.db2.gz NERAMWYMTCSGDH-QUCCMNQESA-N 2 0 406.640 3.917 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466085937 991264594 /nfs/dbraw/zinc/26/45/94/991264594.db2.gz STOXPIUMCZQJLD-IRLDBZIGSA-N 2 0 414.619 3.904 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466224018 991443834 /nfs/dbraw/zinc/44/38/34/991443834.db2.gz YRHPQBYZZKGBLS-SQJMNOBHSA-N 2 0 420.601 3.656 20 0 HHADRP Cc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000466271140 991516705 /nfs/dbraw/zinc/51/67/05/991516705.db2.gz NHKSBRFQYPEHGA-UHFFFAOYSA-N 2 0 422.529 3.945 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285476 991533225 /nfs/dbraw/zinc/53/32/25/991533225.db2.gz FTCFTMWJWQLEON-NRFANRHFSA-N 2 0 413.610 3.523 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466525165 991820920 /nfs/dbraw/zinc/82/09/20/991820920.db2.gz GIJQWQRWPMPMAT-XUZZJYLKSA-N 2 0 420.601 3.955 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797704 992104302 /nfs/dbraw/zinc/10/43/02/992104302.db2.gz XICPTBNSZRPYIN-HYBUGGRVSA-N 2 0 408.590 3.501 20 0 HHADRP C[C@@H](NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000466908264 992224616 /nfs/dbraw/zinc/22/46/16/992224616.db2.gz QGANUXCWLLUOQF-HXUWFJFHSA-N 2 0 409.574 3.594 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467083144 992388885 /nfs/dbraw/zinc/38/88/85/992388885.db2.gz GLLBFVJPSCIRRX-OAQYLSRUSA-N 2 0 414.638 3.977 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000467161084 992480305 /nfs/dbraw/zinc/48/03/05/992480305.db2.gz GQEIEFOWABGGDT-UXHICEINSA-N 2 0 401.595 3.566 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467198410 992522632 /nfs/dbraw/zinc/52/26/32/992522632.db2.gz XUQUCIXFSCDFRL-JOCHJYFZSA-N 2 0 405.627 3.573 20 0 HHADRP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000467436580 992733761 /nfs/dbraw/zinc/73/37/61/992733761.db2.gz XYINXXNTRBTZFM-HYOIWIKGSA-N 2 0 403.570 3.961 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849985 993081638 /nfs/dbraw/zinc/08/16/38/993081638.db2.gz IDJRKBINUVOEAT-LRQRDZAKSA-N 2 0 403.364 3.983 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467879877 993110148 /nfs/dbraw/zinc/11/01/48/993110148.db2.gz QHZJYCYGMDKSJI-KRWDZBQOSA-N 2 0 407.484 3.748 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000472158885 993209794 /nfs/dbraw/zinc/20/97/94/993209794.db2.gz QDYZXUUFZZZQGZ-GOSISDBHSA-N 2 0 414.981 3.708 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000472167577 993214523 /nfs/dbraw/zinc/21/45/23/993214523.db2.gz ACRQQWWHRYHHSN-ZCYQVOJMSA-N 2 0 420.601 3.718 20 0 HHADRP CN(C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472291956 993307519 /nfs/dbraw/zinc/30/75/19/993307519.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366133 993363082 /nfs/dbraw/zinc/36/30/82/993363082.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 2 0 420.601 3.815 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472454909 993457819 /nfs/dbraw/zinc/45/78/19/993457819.db2.gz JDPBRYKIAACCJD-UHFFFAOYSA-N 2 0 418.548 3.555 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472469553 993471769 /nfs/dbraw/zinc/47/17/69/993471769.db2.gz XDFKOUKMARLWHF-UHFFFAOYSA-N 2 0 418.548 3.555 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000480723055 993590305 /nfs/dbraw/zinc/59/03/05/993590305.db2.gz YEEWBAQOIRSOJU-IBGZPJMESA-N 2 0 424.593 3.558 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000480733540 993599840 /nfs/dbraw/zinc/59/98/40/993599840.db2.gz BBIJYTYMTQHWLS-IBGZPJMESA-N 2 0 420.601 3.905 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc2c(c1)OCCO2 ZINC000480737039 993603580 /nfs/dbraw/zinc/60/35/80/993603580.db2.gz IDTBYZSDEFESQK-HSZRJFAPSA-N 2 0 409.574 3.836 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000480760021 993624851 /nfs/dbraw/zinc/62/48/51/993624851.db2.gz APRYCUUEGMCLCJ-SFHVURJKSA-N 2 0 404.002 3.902 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000480763717 993629051 /nfs/dbraw/zinc/62/90/51/993629051.db2.gz HJWBAQWDWPQYLN-LJQANCHMSA-N 2 0 410.400 3.670 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480777334 993643440 /nfs/dbraw/zinc/64/34/40/993643440.db2.gz HSDHJDYPOSEAES-WIYYLYMNSA-N 3 0 412.544 3.537 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778541 993644685 /nfs/dbraw/zinc/64/46/85/993644685.db2.gz IDTJQJJURRDFHQ-YADARESESA-N 2 0 420.601 3.946 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000480778991 993646099 /nfs/dbraw/zinc/64/60/99/993646099.db2.gz JIPBEBKVOUVWDE-OFVILXPXSA-N 2 0 403.574 3.902 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897584 993755402 /nfs/dbraw/zinc/75/54/02/993755402.db2.gz LKIGWFJVQHWXKC-SFHVURJKSA-N 2 0 406.574 3.515 20 0 HHADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000480905567 993761718 /nfs/dbraw/zinc/76/17/18/993761718.db2.gz APMXMIOCKFOEHS-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H](CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000472958143 993890952 /nfs/dbraw/zinc/89/09/52/993890952.db2.gz HPWUIHNYPSVFML-JOCHJYFZSA-N 2 0 422.617 3.903 20 0 HHADRP Cc1cccc(CCC[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000481107206 993943943 /nfs/dbraw/zinc/94/39/43/993943943.db2.gz AIAOHMBANQQVPR-UHFFFAOYSA-N 2 0 407.602 3.888 20 0 HHADRP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481202463 994036075 /nfs/dbraw/zinc/03/60/75/994036075.db2.gz SNVDDLNEQGNZKD-IJUXTCFMSA-N 2 0 424.585 3.968 20 0 HHADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000481263125 994082558 /nfs/dbraw/zinc/08/25/58/994082558.db2.gz RXEDDLQBRUUDJE-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000481289081 994105287 /nfs/dbraw/zinc/10/52/87/994105287.db2.gz TYUJUMBBALRYJK-UHFFFAOYSA-N 2 0 401.599 3.558 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320297 994140449 /nfs/dbraw/zinc/14/04/49/994140449.db2.gz ZLXJZOBMLSZSPP-QFIPXVFZSA-N 2 0 418.589 3.516 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321914 994141616 /nfs/dbraw/zinc/14/16/16/994141616.db2.gz YOQXJXQYJVHTLQ-ONOMSOESSA-N 2 0 413.631 3.673 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331359 994149904 /nfs/dbraw/zinc/14/99/04/994149904.db2.gz PFDAAOAQHRJVIA-HYBUGGRVSA-N 2 0 423.605 3.950 20 0 HHADRP CC(C)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000481348063 994171170 /nfs/dbraw/zinc/17/11/70/994171170.db2.gz PVWRJLLPNKCHKN-GOTSBHOMSA-N 2 0 408.590 3.836 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000481408183 994242926 /nfs/dbraw/zinc/24/29/26/994242926.db2.gz RPRAVBVMTSHSAV-KXBFYZLASA-N 2 0 401.364 3.857 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559365 994393593 /nfs/dbraw/zinc/39/35/93/994393593.db2.gz FQEZTGXWFXHUOX-JPYJTQIMSA-N 2 0 411.546 3.595 20 0 HHADRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674033 994533769 /nfs/dbraw/zinc/53/37/69/994533769.db2.gz VKQHTYJEMFGUPE-FUHWJXTLSA-N 2 0 404.020 3.655 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000481714764 994575947 /nfs/dbraw/zinc/57/59/47/994575947.db2.gz HEAKCMWMHAMRKZ-LJQANCHMSA-N 2 0 415.603 3.822 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000481724307 994584594 /nfs/dbraw/zinc/58/45/94/994584594.db2.gz GTPVKQDQEHIHBR-LJQANCHMSA-N 2 0 415.603 3.822 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000481740522 994595903 /nfs/dbraw/zinc/59/59/03/994595903.db2.gz VTPGLFJCCNFABY-UHFFFAOYSA-N 2 0 408.590 3.556 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827123 994756935 /nfs/dbraw/zinc/75/69/35/994756935.db2.gz HEFULTRMYRKIEM-SFTDATJTSA-N 2 0 415.626 3.708 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)c2)CC1 ZINC000473832514 994764121 /nfs/dbraw/zinc/76/41/21/994764121.db2.gz VTAFAZIAMLBGOW-UHFFFAOYSA-N 2 0 423.605 3.733 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481910727 994783148 /nfs/dbraw/zinc/78/31/48/994783148.db2.gz BKMYXKPNUOIIQH-IBGZPJMESA-N 2 0 409.983 3.551 20 0 HHADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917061 994788707 /nfs/dbraw/zinc/78/87/07/994788707.db2.gz OSCNMNRZVXQDGM-QFBILLFUSA-N 2 0 416.031 3.943 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000473941445 994916129 /nfs/dbraw/zinc/91/61/29/994916129.db2.gz QZCCXDAORYYHKW-NGRWLJPCSA-N 2 0 400.611 3.705 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000473945375 994921830 /nfs/dbraw/zinc/92/18/30/994921830.db2.gz PAAGSQLSJDAZGR-PMACEKPBSA-N 2 0 408.590 3.704 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000474004303 994993505 /nfs/dbraw/zinc/99/35/05/994993505.db2.gz DWQSMMCUOXEMAB-REWPJTCUSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC(F)(F)F ZINC000482108226 995055796 /nfs/dbraw/zinc/05/57/96/995055796.db2.gz GXCLLHQOJWVBBM-KRWDZBQOSA-N 2 0 408.468 3.843 20 0 HHADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071961 995058166 /nfs/dbraw/zinc/05/81/66/995058166.db2.gz HNUHIAPUOJZSOV-HYBUGGRVSA-N 2 0 421.585 3.905 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111887 995059570 /nfs/dbraw/zinc/05/95/70/995059570.db2.gz FIBHGOIQJGDNTI-INIZCTEOSA-N 2 0 421.358 3.846 20 0 HHADRP Clc1cccc(Cl)c1CCC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482230664 995213535 /nfs/dbraw/zinc/21/35/35/995213535.db2.gz TXURYLALEGGTMK-UHFFFAOYSA-N 2 0 422.404 3.908 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000482339973 995318766 /nfs/dbraw/zinc/31/87/66/995318766.db2.gz YSELBMWTMOUDCI-OALUTQOASA-N 2 0 419.591 3.529 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000482432963 995425966 /nfs/dbraw/zinc/42/59/66/995425966.db2.gz CLICOPDUCHWDPA-YLJYHZDGSA-N 2 0 414.619 3.669 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000474474599 995435212 /nfs/dbraw/zinc/43/52/12/995435212.db2.gz WYZYEKYSAWHERQ-PLUPDXBSSA-N 2 0 402.579 3.897 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(-c2ccncc2)c1 ZINC000482441979 995437198 /nfs/dbraw/zinc/43/71/98/995437198.db2.gz WPIPNZPBBUKCPE-NRFANRHFSA-N 2 0 416.573 3.792 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000474511575 995472635 /nfs/dbraw/zinc/47/26/35/995472635.db2.gz CMSHFKMEOHXLNF-NHCUHLMSSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000474516417 995480197 /nfs/dbraw/zinc/48/01/97/995480197.db2.gz JRKBTFBYPWCQGM-PABCKOPISA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482490661 995500874 /nfs/dbraw/zinc/50/08/74/995500874.db2.gz YRWXEIHHKOUQFG-VQIMIIECSA-N 2 0 410.400 3.526 20 0 HHADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545832 995554319 /nfs/dbraw/zinc/55/43/19/995554319.db2.gz ZZSIUXHJRJQHRJ-NFBKMPQASA-N 2 0 409.574 3.812 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000482554731 995562243 /nfs/dbraw/zinc/56/22/43/995562243.db2.gz MLEYDCSZLUDACK-LVXARBLLSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1Br ZINC000482555814 995563780 /nfs/dbraw/zinc/56/37/80/995563780.db2.gz OCKHCSNKPMAYCE-GFCCVEGCSA-N 2 0 420.189 3.567 20 0 HHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000474617499 995568566 /nfs/dbraw/zinc/56/85/66/995568566.db2.gz GJJKETAHJUGNQM-MOPGFXCFSA-N 2 0 409.603 3.985 20 0 HHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCCO2 ZINC000482618796 995614315 /nfs/dbraw/zinc/61/43/15/995614315.db2.gz IBOYUYBWYKUUIX-JTHBVZDNSA-N 2 0 407.558 3.696 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623795 995618779 /nfs/dbraw/zinc/61/87/79/995618779.db2.gz QSDANTHCVXNSSY-KSEOMHKRSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625373 995620116 /nfs/dbraw/zinc/62/01/16/995620116.db2.gz CSDAHISCHSYPLH-WOJBJXKFSA-N 2 0 417.619 3.945 20 0 HHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000482634145 995628352 /nfs/dbraw/zinc/62/83/52/995628352.db2.gz ISQAOKKMCLXNFS-HNAYVOBHSA-N 2 0 400.592 3.562 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636851 995632240 /nfs/dbraw/zinc/63/22/40/995632240.db2.gz ACUSLUYAUQRTRU-UGKGYDQZSA-N 2 0 411.521 3.527 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474728352 995663685 /nfs/dbraw/zinc/66/36/85/995663685.db2.gz MYCLIGJGFYBRHH-MOPGFXCFSA-N 2 0 401.986 3.814 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000474947635 995818413 /nfs/dbraw/zinc/81/84/13/995818413.db2.gz YWJZJISTFBZJJM-DNVFCKCGSA-N 2 0 412.574 3.942 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000482887879 995819360 /nfs/dbraw/zinc/81/93/60/995819360.db2.gz LHVMTGPFMWAHPP-PWHSHALESA-N 2 0 409.565 3.656 20 0 HHADRP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018141 995873631 /nfs/dbraw/zinc/87/36/31/995873631.db2.gz RBANMOBKEQJVDI-DEOSSOPVSA-N 2 0 406.574 3.698 20 0 HHADRP CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475128092 995940513 /nfs/dbraw/zinc/94/05/13/995940513.db2.gz DWEDFYOKROKNCX-RUZDIDTESA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483117300 995986150 /nfs/dbraw/zinc/98/61/50/995986150.db2.gz GQZWNPHHHWQLFL-UGKGYDQZSA-N 2 0 409.549 3.784 20 0 HHADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000475214668 996001573 /nfs/dbraw/zinc/00/15/73/996001573.db2.gz QQELQMIWDSYGQA-CEWLAPEOSA-N 2 0 417.395 3.926 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)C[C@H](C)O1 ZINC000483195504 996030994 /nfs/dbraw/zinc/03/09/94/996030994.db2.gz BBSKTMBHOBWRDL-CALCHBBNSA-N 2 0 415.500 3.734 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266037 996033955 /nfs/dbraw/zinc/03/39/55/996033955.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 2 0 420.601 3.955 20 0 HHADRP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000483220482 996044503 /nfs/dbraw/zinc/04/45/03/996044503.db2.gz OSCYKMVAFUGMNJ-INIZCTEOSA-N 2 0 424.427 3.926 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000475288430 996047243 /nfs/dbraw/zinc/04/72/43/996047243.db2.gz YXLBZKZUXUMWMP-AZUAARDMSA-N 2 0 411.546 3.533 20 0 HHADRP O[C@@H](COCc1ccccc1F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727015 996326784 /nfs/dbraw/zinc/32/67/84/996326784.db2.gz BRIGFQAPHRIBGC-NOZRDPDXSA-N 2 0 412.549 3.691 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[C@H]1C ZINC000483692269 996331713 /nfs/dbraw/zinc/33/17/13/996331713.db2.gz LFHINYXDWLSOAU-NFBKMPQASA-N 2 0 400.611 3.933 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000483863215 996433807 /nfs/dbraw/zinc/43/38/07/996433807.db2.gz BNGLLBRQYDMHIU-KCZVDYSFSA-N 2 0 416.610 3.928 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@@H+]2C2CC2)c1 ZINC000483937584 996478328 /nfs/dbraw/zinc/47/83/28/996478328.db2.gz HJCSACJKJJIDRG-BJKOFHAPSA-N 2 0 422.573 3.534 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476011484 996540171 /nfs/dbraw/zinc/54/01/71/996540171.db2.gz OXPDSARQDBCSNI-UHFFFAOYSA-N 2 0 404.574 3.696 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041665 996561984 /nfs/dbraw/zinc/56/19/84/996561984.db2.gz HYKMDXRGTRRNEX-UKILVPOCSA-N 2 0 412.622 3.805 20 0 HHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCCO2 ZINC000484306040 996692181 /nfs/dbraw/zinc/69/21/81/996692181.db2.gz JGSMPJKEWYMBIR-NRFANRHFSA-N 2 0 401.595 3.733 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484504608 996833459 /nfs/dbraw/zinc/83/34/59/996833459.db2.gz URRPYVIYXWMYRE-NFBKMPQASA-N 2 0 409.574 3.511 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629786 997151662 /nfs/dbraw/zinc/15/16/62/997151662.db2.gz GNXFKPBYWDDTNT-FGZHOGPDSA-N 2 0 410.562 3.626 20 0 HHADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476876439 997455140 /nfs/dbraw/zinc/45/51/40/997455140.db2.gz YQABAXWLHBTHEZ-UWJYYQICSA-N 2 0 404.986 3.573 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)c2cc1C ZINC000476983221 997607019 /nfs/dbraw/zinc/60/70/19/997607019.db2.gz KPXIMVCWSLINQK-FYYLOGMGSA-N 2 0 412.622 3.991 20 0 HHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260440 997652345 /nfs/dbraw/zinc/65/23/45/997652345.db2.gz NFRDPBKZVBAONJ-DENIHFKCSA-N 2 0 412.578 3.920 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC[C@H]21 ZINC000485309385 997718993 /nfs/dbraw/zinc/71/89/93/997718993.db2.gz QLUILISEMYLTTC-HMXCVIKNSA-N 2 0 404.986 3.603 20 0 HHADRP Cc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000477080736 997733491 /nfs/dbraw/zinc/73/34/91/997733491.db2.gz FKBKCQAXSSTCMQ-GCJKJVERSA-N 2 0 412.582 3.580 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccc(C(F)(F)F)cc1 ZINC000485347142 997767447 /nfs/dbraw/zinc/76/74/47/997767447.db2.gz NLEVMZNNEIBSAJ-LJQANCHMSA-N 2 0 412.500 3.578 20 0 HHADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000477218125 997889938 /nfs/dbraw/zinc/88/99/38/997889938.db2.gz FVTLNTWHQNUBEO-IBGZPJMESA-N 2 0 414.516 3.653 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485486400 997939201 /nfs/dbraw/zinc/93/92/01/997939201.db2.gz CKAHXRPJYZHPIA-DNQXCXABSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000477265317 997941379 /nfs/dbraw/zinc/94/13/79/997941379.db2.gz KEEUUZJLRJXYQD-UCBGAZFYSA-N 2 0 410.606 3.842 20 0 HHADRP Cn1ccnc1C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000485501922 997957781 /nfs/dbraw/zinc/95/77/81/997957781.db2.gz GQAKOFPUANWRKT-QHCPKHFHSA-N 2 0 423.605 3.960 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000477415643 998099936 /nfs/dbraw/zinc/09/99/36/998099936.db2.gz VSAQCCGWAVYBKV-FQEVSTJZSA-N 2 0 401.501 3.555 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000477724839 998453986 /nfs/dbraw/zinc/45/39/86/998453986.db2.gz ZEBAXQFAOFWYGR-VWLOTQADSA-N 2 0 421.585 3.884 20 0 HHADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000477909235 998649117 /nfs/dbraw/zinc/64/91/17/998649117.db2.gz DJOCSRSBMDYBFL-JBXUNAHCSA-N 2 0 403.570 3.596 20 0 HHADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266796 998685112 /nfs/dbraw/zinc/68/51/12/998685112.db2.gz DVQMDWIXEFBCGQ-XPNTWCBSSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000478626182 999052021 /nfs/dbraw/zinc/05/20/21/999052021.db2.gz IBPMXJPIEGEBDA-HXUWFJFHSA-N 2 0 401.595 3.744 20 0 HHADRP C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478728849 999111133 /nfs/dbraw/zinc/11/11/33/999111133.db2.gz YKODZBWJEFXKQF-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000487562312 999213851 /nfs/dbraw/zinc/21/38/51/999213851.db2.gz GQDMDWJTFRBXMQ-UHFFFAOYSA-N 2 0 422.617 3.729 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073726 999280967 /nfs/dbraw/zinc/28/09/67/999280967.db2.gz YEJFYKRXEYOGRM-QRWLVFNGSA-N 2 0 412.391 3.903 20 0 HHADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000487813546 999299261 /nfs/dbraw/zinc/29/92/61/999299261.db2.gz AKLPGEYHIDGSAU-SFHVURJKSA-N 2 0 419.013 3.820 20 0 HHADRP C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000488135210 999388344 /nfs/dbraw/zinc/38/83/44/999388344.db2.gz OTRGFIUYYZDREN-UHFFFAOYSA-N 2 0 409.530 3.664 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000479331820 999389537 /nfs/dbraw/zinc/38/95/37/999389537.db2.gz RUJUNKSQAWFSCE-LJQANCHMSA-N 2 0 415.603 3.514 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461065 999427463 /nfs/dbraw/zinc/42/74/63/999427463.db2.gz BESVVLJZTVNNRF-QUCCMNQESA-N 2 0 401.576 3.621 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000479466191 999429680 /nfs/dbraw/zinc/42/96/80/999429680.db2.gz YRKSQAXVJRKYLH-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1OCC(=O)N(C)C ZINC000479467638 999430222 /nfs/dbraw/zinc/43/02/22/999430222.db2.gz WGSLIKXTTAGDKC-GGAORHGYSA-N 2 0 409.574 3.716 20 0 HHADRP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488327457 999441946 /nfs/dbraw/zinc/44/19/46/999441946.db2.gz SVQKORULKDBKGH-QGZVFWFLSA-N 2 0 422.411 3.604 20 0 HHADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479521065 999457898 /nfs/dbraw/zinc/45/78/98/999457898.db2.gz ZFWZGHVHXCMBAZ-FQEVSTJZSA-N 2 0 422.658 3.562 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(-c4ccncc4)ccc3OC)cn2)CC1 ZINC000479563797 999479500 /nfs/dbraw/zinc/47/95/00/999479500.db2.gz DCMMURJODUHCIJ-UHFFFAOYSA-N 2 0 417.557 3.584 20 0 HHADRP c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000488586737 999536822 /nfs/dbraw/zinc/53/68/22/999536822.db2.gz LZDARTFBWPOIQV-UIOOFZCWSA-N 2 0 410.650 3.807 20 0 HHADRP c1n[nH]cc1C1CC[NH+](Cc2ccccc2C[NH+]2CCC(c3cn[nH]c3)CC2)CC1 ZINC000488669125 999565531 /nfs/dbraw/zinc/56/55/31/999565531.db2.gz NYAHUVOHKUGACT-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488963841 999658998 /nfs/dbraw/zinc/65/89/98/999658998.db2.gz XDMMEHPJLMYCCR-BHUCMGRMSA-N 2 0 410.606 3.698 20 0 HHADRP Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000488995482 999667312 /nfs/dbraw/zinc/66/73/12/999667312.db2.gz IECFCWPTVBCWIZ-NHCUHLMSSA-N 2 0 406.574 3.699 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084136 999712655 /nfs/dbraw/zinc/71/26/55/999712655.db2.gz JBCHWHGXEIDUHI-NIJXNBFTSA-N 2 0 411.565 3.699 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000480142158 999728876 /nfs/dbraw/zinc/72/88/76/999728876.db2.gz DWPRXTNDQIKKID-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327210 999746087 /nfs/dbraw/zinc/74/60/87/999746087.db2.gz KTBKZNJZENYBLK-OTPAQWSUSA-N 2 0 420.601 3.643 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238136 999753443 /nfs/dbraw/zinc/75/34/43/999753443.db2.gz ALWMXJYKIKIAPF-BDTNDASRSA-N 2 0 423.601 3.983 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753948 /nfs/dbraw/zinc/75/39/48/999753948.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 2 0 422.617 3.691 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000489400162 999759312 /nfs/dbraw/zinc/75/93/12/999759312.db2.gz JNFCOBFDGSOLCC-ZTCOLXNVSA-N 2 0 408.590 3.808 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000480273155 999760742 /nfs/dbraw/zinc/76/07/42/999760742.db2.gz GQJXPJWEHZLZFK-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498778 999778935 /nfs/dbraw/zinc/77/89/35/999778935.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 2 0 420.601 3.645 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Br)c(Cl)s3)cn2)CC1 ZINC000480370934 999782818 /nfs/dbraw/zinc/78/28/18/999782818.db2.gz INVMZBAVNGMLJF-UHFFFAOYSA-N 2 0 415.788 3.601 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489534021 999786451 /nfs/dbraw/zinc/78/64/51/999786451.db2.gz NJYFLSUNSJJFII-NZQKXSOJSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000489570099 999794434 /nfs/dbraw/zinc/79/44/34/999794434.db2.gz WGFRTFGPDANQFQ-UHFFFAOYSA-N 2 0 408.546 3.569 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000489581251 999796825 /nfs/dbraw/zinc/79/68/25/999796825.db2.gz GFQPGMXVVDDOBH-JPYJTQIMSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616793 999803549 /nfs/dbraw/zinc/80/35/49/999803549.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 2 0 408.590 3.717 20 0 HHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742546 999829162 /nfs/dbraw/zinc/82/91/62/999829162.db2.gz JGPRSOLCMDPXPT-SOTFAZIXSA-N 2 0 412.622 3.659 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480599944 999837469 /nfs/dbraw/zinc/83/74/69/999837469.db2.gz DZELVYBUMFHCBY-SFHVURJKSA-N 2 0 413.537 3.722 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000480600801 999837690 /nfs/dbraw/zinc/83/76/90/999837690.db2.gz LVDTUCXMTBSIDA-RBUKOAKNSA-N 2 0 415.603 3.677 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000480600800 999837743 /nfs/dbraw/zinc/83/77/43/999837743.db2.gz LVDTUCXMTBSIDA-OALUTQOASA-N 2 0 415.603 3.677 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480604071 999838681 /nfs/dbraw/zinc/83/86/81/999838681.db2.gz FLXNIJGPSPMAKF-VQIMIIECSA-N 2 0 402.583 3.942 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000480609003 999839933 /nfs/dbraw/zinc/83/99/33/999839933.db2.gz IMBOPKNPNGRGIQ-RTBURBONSA-N 2 0 415.603 3.820 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612506 999841004 /nfs/dbraw/zinc/84/10/04/999841004.db2.gz PCVCLOQGRHLGNT-OALUTQOASA-N 2 0 415.603 3.677 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489806257 999841948 /nfs/dbraw/zinc/84/19/48/999841948.db2.gz IXRQMCPIICHCON-RUZDIDTESA-N 2 0 422.617 3.844 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844563 999848270 /nfs/dbraw/zinc/84/82/70/999848270.db2.gz YBABQMZSMOTRCF-ZJSXRUAMSA-N 2 0 408.590 3.670 20 0 HHADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665494 999854452 /nfs/dbraw/zinc/85/44/52/999854452.db2.gz XRKJYAGWVILVSE-OYRHEFFESA-N 2 0 410.606 3.932 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4ccc(OC(F)(F)F)cc43)ccn2)CC1 ZINC000480707074 999864358 /nfs/dbraw/zinc/86/43/58/999864358.db2.gz KDWSOFUARWCWEL-IBGZPJMESA-N 2 0 406.452 3.509 20 0 HHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480708789 999864817 /nfs/dbraw/zinc/86/48/17/999864817.db2.gz WLDFRTMIAYKAMD-FBILRYNDSA-N 2 0 407.602 3.603 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)cc1 ZINC000490129034 999897252 /nfs/dbraw/zinc/89/72/52/999897252.db2.gz BYUCMDLJPMWTAN-VWLOTQADSA-N 2 0 402.542 3.721 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000490953759 1000027001 /nfs/dbraw/zinc/02/70/01/1000027001.db2.gz XBNZOTFVRRSMOR-RBUKOAKNSA-N 2 0 404.624 3.662 20 0 HHADRP CCc1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002831 1000032724 /nfs/dbraw/zinc/03/27/24/1000032724.db2.gz CVRACZNWZLRYAM-QHCPKHFHSA-N 2 0 400.588 3.673 20 0 HHADRP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491025339 1000035599 /nfs/dbraw/zinc/03/55/99/1000035599.db2.gz CLHXSCQKCMJRCN-OAQYLSRUSA-N 2 0 405.586 3.804 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2C1 ZINC000491316811 1000064447 /nfs/dbraw/zinc/06/44/47/1000064447.db2.gz MSCQHUGGGPEVQX-UNVFRBQDSA-N 2 0 421.585 3.879 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491459679 1000076931 /nfs/dbraw/zinc/07/69/31/1000076931.db2.gz SGPLREUIDUKCNZ-UHFFFAOYSA-N 2 0 424.593 3.526 20 0 HHADRP C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492294972 1000120353 /nfs/dbraw/zinc/12/03/53/1000120353.db2.gz TUXGDBNBLLUHJH-FPOVZHCZSA-N 2 0 405.542 3.563 20 0 HHADRP Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000492294620 1000120449 /nfs/dbraw/zinc/12/04/49/1000120449.db2.gz SDQPXFDLMRAECH-DEOSSOPVSA-N 2 0 423.605 3.941 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492376909 1000124396 /nfs/dbraw/zinc/12/43/96/1000124396.db2.gz PJZLNNLADQEQSQ-HFSMHLIXSA-N 2 0 422.491 3.945 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000493001696 1000153345 /nfs/dbraw/zinc/15/33/45/1000153345.db2.gz AIIAALYGACEGEQ-UHFFFAOYSA-N 2 0 423.601 3.663 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000493965190 1000241053 /nfs/dbraw/zinc/24/10/53/1000241053.db2.gz NANVKCAYROJFII-OAQYLSRUSA-N 2 0 400.567 3.704 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000494059936 1000288313 /nfs/dbraw/zinc/28/83/13/1000288313.db2.gz KRJAVNSASUQSPX-UHFFFAOYSA-N 2 0 424.770 3.684 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000504653545 1000310553 /nfs/dbraw/zinc/31/05/53/1000310553.db2.gz DPMGVEPYTOVRPR-FGZHOGPDSA-N 2 0 414.638 3.549 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883916 1000426362 /nfs/dbraw/zinc/42/63/62/1000426362.db2.gz XFNMDPBWOMOLNT-RTWAWAEBSA-N 2 0 412.603 3.849 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000494573820 1000560716 /nfs/dbraw/zinc/56/07/16/1000560716.db2.gz HYKUBAUXGKJMAI-ROUUACIJSA-N 2 0 424.511 3.929 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000494628992 1000580520 /nfs/dbraw/zinc/58/05/20/1000580520.db2.gz AYASJJNGRVUGJY-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccs1 ZINC000505158811 1000585137 /nfs/dbraw/zinc/58/51/37/1000585137.db2.gz ATLLBDSOVLGHPN-QZTJIDSGSA-N 2 0 407.530 3.624 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923573 1000732136 /nfs/dbraw/zinc/73/21/36/1000732136.db2.gz LYFZBCVZEVVLJW-RDGATRHJSA-N 2 0 411.565 3.831 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505386044 1000741335 /nfs/dbraw/zinc/74/13/35/1000741335.db2.gz GAFKLCHWINUQMJ-DVECYGJZSA-N 2 0 424.589 3.650 20 0 HHADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505590073 1000923392 /nfs/dbraw/zinc/92/33/92/1000923392.db2.gz DLJUUNKUMXGIPP-AUSIDOKSSA-N 2 0 419.573 3.533 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605661 1000930955 /nfs/dbraw/zinc/93/09/55/1000930955.db2.gz HPSHFVTXTCRMHO-YKSBVNFPSA-N 2 0 408.590 3.638 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000495260881 1000942383 /nfs/dbraw/zinc/94/23/83/1000942383.db2.gz SSRCQKYKTMOJKU-PKTZIBPZSA-N 2 0 400.998 3.880 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000495330809 1000970049 /nfs/dbraw/zinc/97/00/49/1000970049.db2.gz CGNMVQQGKKLFTQ-OAQYLSRUSA-N 2 0 418.651 3.868 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785422 1001022885 /nfs/dbraw/zinc/02/28/85/1001022885.db2.gz UMRBKKHITKLUCN-MRXNPFEDSA-N 2 0 406.621 3.668 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000505806733 1001036466 /nfs/dbraw/zinc/03/64/66/1001036466.db2.gz KTLHGJSVNITRHI-QHCPKHFHSA-N 2 0 409.574 3.754 20 0 HHADRP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506031501 1001176520 /nfs/dbraw/zinc/17/65/20/1001176520.db2.gz LSEHXHTYZLIFPU-DEOSSOPVSA-N 2 0 402.579 3.569 20 0 HHADRP Cc1sc2nc([C@@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc(N)c2c1C ZINC000506032627 1001177992 /nfs/dbraw/zinc/17/79/92/1001177992.db2.gz RDUFLKXVCBJRHF-MRXNPFEDSA-N 2 0 417.623 3.776 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[NH+]2CCCC2)o1 ZINC000506361231 1001377340 /nfs/dbraw/zinc/37/73/40/1001377340.db2.gz BRMHKOXRRAJAOV-OAQYLSRUSA-N 2 0 413.587 3.704 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565957 1001438134 /nfs/dbraw/zinc/43/81/34/1001438134.db2.gz GZHIQXSIYRLRAN-YKSBVNFPSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451490 /nfs/dbraw/zinc/45/14/90/1001451490.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 2 0 407.549 3.772 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000497690675 1001486476 /nfs/dbraw/zinc/48/64/76/1001486476.db2.gz JZONRNXROZXOCR-ILWGZMRPSA-N 2 0 412.578 3.872 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744916 1001511565 /nfs/dbraw/zinc/51/15/65/1001511565.db2.gz UQMJVTVUDCSRML-NRFANRHFSA-N 2 0 405.533 3.621 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000497898950 1001556051 /nfs/dbraw/zinc/55/60/51/1001556051.db2.gz KVVIZWJPBQEBAD-RPBOFIJWSA-N 2 0 403.570 3.589 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000506922045 1001594889 /nfs/dbraw/zinc/59/48/89/1001594889.db2.gz MPHMXBZYNIRUCI-VSKRKVRLSA-N 2 0 412.622 3.729 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000498115254 1001647153 /nfs/dbraw/zinc/64/71/53/1001647153.db2.gz SIJCFBJLOIQHCH-UHFFFAOYSA-N 2 0 415.578 3.579 20 0 HHADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000507413219 1002058844 /nfs/dbraw/zinc/05/88/44/1002058844.db2.gz ISMXKZNYNVMAHA-NRFANRHFSA-N 2 0 408.590 3.946 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)nc2)CC1 ZINC000507510147 1002120181 /nfs/dbraw/zinc/12/01/81/1002120181.db2.gz MFAJLEHCUPPQCO-NQHRYMMQSA-N 2 0 419.617 3.935 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507618166 1002222804 /nfs/dbraw/zinc/22/28/04/1002222804.db2.gz IFDCEFBSMTXWMW-UTKZUKDTSA-N 2 0 423.536 3.690 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898949 1002289798 /nfs/dbraw/zinc/28/97/98/1002289798.db2.gz UCTVBKURGSOSKR-YSZBQJHXSA-N 2 0 412.553 3.781 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498901020 1002292534 /nfs/dbraw/zinc/29/25/34/1002292534.db2.gz LFBZTXRTUWDKPR-GMAHTHKFSA-N 2 0 400.611 3.947 20 0 HHADRP Cn1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000507713070 1002303459 /nfs/dbraw/zinc/30/34/59/1002303459.db2.gz HNCBPOXUDRPZSP-UHFFFAOYSA-N 2 0 424.511 3.917 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Oc4ccccc4)nn3)CC2)CC1 ZINC000499057039 1002439347 /nfs/dbraw/zinc/43/93/47/1002439347.db2.gz SPSDBBBKOKVQPN-UHFFFAOYSA-N 2 0 423.605 3.897 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000507919157 1002453154 /nfs/dbraw/zinc/45/31/54/1002453154.db2.gz CZQUXSDZWWQPOK-UHFFFAOYSA-N 2 0 423.601 3.923 20 0 HHADRP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1OCCO ZINC000499139599 1002524324 /nfs/dbraw/zinc/52/43/24/1002524324.db2.gz PUNPOAMXLKNYOL-IITNATTFSA-N 2 0 410.558 3.913 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162182 1002548570 /nfs/dbraw/zinc/54/85/70/1002548570.db2.gz AHROVFHJUIEVHO-SSUZURRFSA-N 2 0 405.586 3.845 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000508512535 1002994285 /nfs/dbraw/zinc/99/42/85/1002994285.db2.gz ZFUVWLFEEQVOQJ-UHFFFAOYSA-N 2 0 424.614 3.630 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662560 1003021633 /nfs/dbraw/zinc/02/16/33/1003021633.db2.gz HOOIPNQLGHPVAH-URXFXBBRSA-N 2 0 404.602 3.724 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000508560400 1003030225 /nfs/dbraw/zinc/03/02/25/1003030225.db2.gz JWCVNKVGCYLAOY-JOCHJYFZSA-N 2 0 419.560 3.915 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(OCc4ccc(F)cc4)c3)ccn2)CC1 ZINC000499681677 1003035501 /nfs/dbraw/zinc/03/55/01/1003035501.db2.gz RQEUMKREMPSTKC-UHFFFAOYSA-N 2 0 420.532 3.841 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693803 1003131750 /nfs/dbraw/zinc/13/17/50/1003131750.db2.gz BQCJMVUHQCBEKW-PXDATVDWSA-N 2 0 401.554 3.897 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722293 1003162877 /nfs/dbraw/zinc/16/28/77/1003162877.db2.gz XBPUZPKKHFTBIO-NZJKTDFXSA-N 2 0 423.601 3.569 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722660 1003163786 /nfs/dbraw/zinc/16/37/86/1003163786.db2.gz YFYOKSXVKLUOTL-NZQKXSOJSA-N 2 0 417.557 3.522 20 0 HHADRP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730267 1003170429 /nfs/dbraw/zinc/17/04/29/1003170429.db2.gz OCJQYWRVAWRNRP-ISJGIBHGSA-N 2 0 401.558 3.717 20 0 HHADRP C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000508770433 1003201498 /nfs/dbraw/zinc/20/14/98/1003201498.db2.gz OYUORAYOLMOYJU-OAQYLSRUSA-N 2 0 411.512 3.822 20 0 HHADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000499918022 1003244651 /nfs/dbraw/zinc/24/46/51/1003244651.db2.gz GYURHQRVTFAURY-XMMPIXPASA-N 2 0 409.574 3.501 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877434 1003298249 /nfs/dbraw/zinc/29/82/49/1003298249.db2.gz YCOIRVSQXQLEBC-XXBNENTESA-N 2 0 409.578 3.641 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000508894899 1003325138 /nfs/dbraw/zinc/32/51/38/1003325138.db2.gz ONCUEROBNHKBTE-DNRQZRRGSA-N 2 0 416.606 3.956 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000500062260 1003405994 /nfs/dbraw/zinc/40/59/94/1003405994.db2.gz SNFMMZLIOYOFLT-UHFFFAOYSA-N 2 0 424.932 3.937 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109757 1003472358 /nfs/dbraw/zinc/47/23/58/1003472358.db2.gz IWIFLAGTAMZMHY-YOSAUDMPSA-N 2 0 421.589 3.569 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131928 1003575569 /nfs/dbraw/zinc/57/55/69/1003575569.db2.gz MBGOEUAMHYMKOC-PZJWPPBQSA-N 2 0 414.619 3.951 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCOCC1)c1ccccc1 ZINC000500489526 1003744572 /nfs/dbraw/zinc/74/45/72/1003744572.db2.gz LRJGLNOHZKKKNT-NRFANRHFSA-N 2 0 421.585 3.912 20 0 HHADRP CCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000500601773 1003816482 /nfs/dbraw/zinc/81/64/82/1003816482.db2.gz MUSKZOWCIHAVMO-FYYLOGMGSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000509477662 1003890300 /nfs/dbraw/zinc/89/03/00/1003890300.db2.gz RSXABRCJTSYKPG-MRXNPFEDSA-N 2 0 413.566 3.890 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)cc2)CC1 ZINC000509532090 1003927713 /nfs/dbraw/zinc/92/77/13/1003927713.db2.gz HZCJUCSAICEBKK-UHFFFAOYSA-N 2 0 409.603 3.576 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500753181 1003937936 /nfs/dbraw/zinc/93/79/36/1003937936.db2.gz GVYLDJDRRUZSPO-UHFFFAOYSA-N 2 0 420.601 3.847 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000509566190 1003948481 /nfs/dbraw/zinc/94/84/81/1003948481.db2.gz DCVQMXSTJMFDFF-KFKAGJAMSA-N 2 0 406.958 3.964 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@@H]1c1ccccc1 ZINC000500791131 1003958976 /nfs/dbraw/zinc/95/89/76/1003958976.db2.gz JFVYKMQMEYPPKT-HSZRJFAPSA-N 2 0 407.562 3.531 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512091757 1004016644 /nfs/dbraw/zinc/01/66/44/1004016644.db2.gz VJTDYHOPKZALOV-IFMALSPDSA-N 2 0 400.611 3.851 20 0 HHADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000512092529 1004017173 /nfs/dbraw/zinc/01/71/73/1004017173.db2.gz VSJMHUBNKBUCPX-KRWDZBQOSA-N 2 0 421.998 3.759 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512120663 1004036977 /nfs/dbraw/zinc/03/69/77/1004036977.db2.gz HEUZJWOSWASLEM-OAQYLSRUSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000509744628 1004066934 /nfs/dbraw/zinc/06/69/34/1004066934.db2.gz GMGRYIRLKAETSB-GBXCKJPGSA-N 2 0 408.590 3.848 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163670 1004069218 /nfs/dbraw/zinc/06/92/18/1004069218.db2.gz GZDZRCLARSGOPN-GOTSBHOMSA-N 2 0 412.622 3.660 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175194 1004077307 /nfs/dbraw/zinc/07/73/07/1004077307.db2.gz KOBAGEUVOZUAIG-VXKWHMMOSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029652 1004133612 /nfs/dbraw/zinc/13/36/12/1004133612.db2.gz IVBYIXHQCDDAFF-IBGZPJMESA-N 2 0 424.372 3.977 20 0 HHADRP C[C@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041402 1004142752 /nfs/dbraw/zinc/14/27/52/1004142752.db2.gz XRRHTDRNXUULFN-FQEVSTJZSA-N 2 0 420.601 3.986 20 0 HHADRP C[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067983 1004170010 /nfs/dbraw/zinc/17/00/10/1004170010.db2.gz JLQFNBRKNRXSIE-ZCYQVOJMSA-N 2 0 409.574 3.685 20 0 HHADRP Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)C2=O)c1 ZINC000501069370 1004171198 /nfs/dbraw/zinc/17/11/98/1004171198.db2.gz OLQJVALTPVJSEM-QFIPXVFZSA-N 2 0 410.537 3.873 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501068890 1004171303 /nfs/dbraw/zinc/17/13/03/1004171303.db2.gz ASGPMOLTEHLTFH-REWPJTCUSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501082025 1004186578 /nfs/dbraw/zinc/18/65/78/1004186578.db2.gz QLGIGYGQWWASAO-HSZRJFAPSA-N 2 0 411.590 3.967 20 0 HHADRP C[N@H+](CCC(=O)NCc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501089771 1004195672 /nfs/dbraw/zinc/19/56/72/1004195672.db2.gz QYSSAGLRIGGJTR-UHFFFAOYSA-N 2 0 400.954 3.590 20 0 HHADRP COc1ccc(CC[C@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1OC ZINC000501112113 1004212973 /nfs/dbraw/zinc/21/29/73/1004212973.db2.gz YKCOBOKMACEKPN-HSZRJFAPSA-N 2 0 417.638 3.907 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000501120341 1004217533 /nfs/dbraw/zinc/21/75/33/1004217533.db2.gz ZNCQKGRZOKMRBP-QFIPXVFZSA-N 2 0 419.013 3.504 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)CC1 ZINC000509952234 1004228976 /nfs/dbraw/zinc/22/89/76/1004228976.db2.gz CBTJJEHPMGGYOZ-UHFFFAOYSA-N 2 0 403.574 3.514 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423396 1004289676 /nfs/dbraw/zinc/28/96/76/1004289676.db2.gz GIUBKDVVDJMOHE-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)C ZINC000512523201 1004359586 /nfs/dbraw/zinc/35/95/86/1004359586.db2.gz FJCMUWQFHZQFRW-IBGZPJMESA-N 2 0 414.516 3.698 20 0 HHADRP CC[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000501376571 1004376382 /nfs/dbraw/zinc/37/63/82/1004376382.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 2 0 400.611 3.777 20 0 HHADRP CC[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501377962 1004376908 /nfs/dbraw/zinc/37/69/08/1004376908.db2.gz OAFRMCXPLOCTTE-QHCPKHFHSA-N 2 0 400.611 3.635 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387590 1004383472 /nfs/dbraw/zinc/38/34/72/1004383472.db2.gz IADCSYLSISTWLD-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621629 1004435458 /nfs/dbraw/zinc/43/54/58/1004435458.db2.gz ZXMBMPZFAXLRMX-XKCSPQBFSA-N 2 0 411.977 3.960 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000510312877 1004471984 /nfs/dbraw/zinc/47/19/84/1004471984.db2.gz LLMFMIDLZBQARW-UHFFFAOYSA-N 2 0 405.542 3.931 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501503361 1004472155 /nfs/dbraw/zinc/47/21/55/1004472155.db2.gz PCMKDLWAZSPFBJ-MSOLQXFVSA-N 2 0 407.002 3.724 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000510346465 1004497493 /nfs/dbraw/zinc/49/74/93/1004497493.db2.gz CQCSNLDMKAABEZ-UHFFFAOYSA-N 2 0 420.601 3.744 20 0 HHADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510488129 1004605297 /nfs/dbraw/zinc/60/52/97/1004605297.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 2 0 412.622 3.776 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510495392 1004613645 /nfs/dbraw/zinc/61/36/45/1004613645.db2.gz YZPKNUWXWMHEKE-UNMCSNQZSA-N 2 0 412.622 3.646 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510508902 1004631300 /nfs/dbraw/zinc/63/13/00/1004631300.db2.gz CBJFQOUTLFNYKQ-CTNGQTDRSA-N 2 0 400.611 3.979 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000512901055 1004669808 /nfs/dbraw/zinc/66/98/08/1004669808.db2.gz GWEYHIRMQWSVMK-JOCHJYFZSA-N 2 0 404.599 3.592 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000512907511 1004675817 /nfs/dbraw/zinc/67/58/17/1004675817.db2.gz REUVELIYBGNZTR-HSZRJFAPSA-N 2 0 418.626 3.840 20 0 HHADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000501790797 1004732845 /nfs/dbraw/zinc/73/28/45/1004732845.db2.gz OQLHHAYFJYWXND-FQEVSTJZSA-N 2 0 409.521 3.837 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501801332 1004742946 /nfs/dbraw/zinc/74/29/46/1004742946.db2.gz SPSPPBOXCUTILU-ZEQRLZLVSA-N 2 0 406.574 3.960 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510640875 1004771726 /nfs/dbraw/zinc/77/17/26/1004771726.db2.gz WGTICQPXNQYALB-ZJOUEHCJSA-N 2 0 413.610 3.559 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737758 1004824897 /nfs/dbraw/zinc/82/48/97/1004824897.db2.gz PCPJPMULCKWZMQ-JOCHJYFZSA-N 2 0 414.391 3.974 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510781645 1004848947 /nfs/dbraw/zinc/84/89/47/1004848947.db2.gz USJARVFTFAMEBX-LJQANCHMSA-N 2 0 400.567 3.704 20 0 HHADRP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000513203763 1004859520 /nfs/dbraw/zinc/85/95/20/1004859520.db2.gz JRCQPRYFZHSMBC-MRXNPFEDSA-N 2 0 416.507 3.645 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216679 1004865681 /nfs/dbraw/zinc/86/56/81/1004865681.db2.gz GRRXCLPAKYCFIJ-RUZDIDTESA-N 2 0 420.601 3.611 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510853202 1004892146 /nfs/dbraw/zinc/89/21/46/1004892146.db2.gz MCUZNWLAELWWMJ-QHCPKHFHSA-N 2 0 408.590 3.848 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397650 1004943274 /nfs/dbraw/zinc/94/32/74/1004943274.db2.gz MTDIWJOTHZXMKC-LEWJYISDSA-N 2 0 405.533 3.621 20 0 HHADRP CCC1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000510971207 1004960104 /nfs/dbraw/zinc/96/01/04/1004960104.db2.gz UMOHUYXXGKEYGT-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000513448472 1004971168 /nfs/dbraw/zinc/97/11/68/1004971168.db2.gz SRFLFNMOWNYVNC-RUZDIDTESA-N 2 0 407.602 3.910 20 0 HHADRP O=C(C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000511096702 1005017251 /nfs/dbraw/zinc/01/72/51/1005017251.db2.gz QEFIENQXTYOTQW-KRWDZBQOSA-N 2 0 409.496 3.628 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000513573050 1005030180 /nfs/dbraw/zinc/03/01/80/1005030180.db2.gz SXODICFHTDZQET-UHFFFAOYSA-N 2 0 422.573 3.558 20 0 HHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000511136421 1005038850 /nfs/dbraw/zinc/03/88/50/1005038850.db2.gz ACLHKYUOQFZCMV-MRXNPFEDSA-N 2 0 407.480 3.884 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502434187 1005074656 /nfs/dbraw/zinc/07/46/56/1005074656.db2.gz YHPHESVBYBCXER-LJQANCHMSA-N 2 0 409.578 3.675 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511253637 1005093565 /nfs/dbraw/zinc/09/35/65/1005093565.db2.gz WPGGXNAQJDFYEK-PMACEKPBSA-N 2 0 413.610 3.603 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511254657 1005093941 /nfs/dbraw/zinc/09/39/41/1005093941.db2.gz RJSDYYYXOLDALQ-WOJBJXKFSA-N 2 0 413.610 3.521 20 0 HHADRP C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511294748 1005112394 /nfs/dbraw/zinc/11/23/94/1005112394.db2.gz RVOWKWGZVKZBNA-IRLDBZIGSA-N 2 0 404.643 3.937 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000513757910 1005112684 /nfs/dbraw/zinc/11/26/84/1005112684.db2.gz SNWXEJUDRXPUAS-UHFFFAOYSA-N 2 0 423.626 3.938 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000502608026 1005138265 /nfs/dbraw/zinc/13/82/65/1005138265.db2.gz OAGNBWJNXJTUEG-UHFFFAOYSA-N 2 0 408.999 3.809 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511410684 1005164453 /nfs/dbraw/zinc/16/44/53/1005164453.db2.gz PBJGSIAJAKGQQQ-DWQJTFDBSA-N 2 0 412.622 3.992 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513871767 1005167083 /nfs/dbraw/zinc/16/70/83/1005167083.db2.gz WUECVLUJSMNYJN-UHFFFAOYSA-N 2 0 408.590 3.861 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000514031259 1005235564 /nfs/dbraw/zinc/23/55/64/1005235564.db2.gz QPJAXDAJVICFOO-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)CC2)CC1 ZINC000502829687 1005235972 /nfs/dbraw/zinc/23/59/72/1005235972.db2.gz NKOBCKYZLJMVJD-VNXZQDSDSA-N 2 0 400.611 3.502 20 0 HHADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000514032636 1005236106 /nfs/dbraw/zinc/23/61/06/1005236106.db2.gz JIWAASYVAKFNTH-UHFFFAOYSA-N 2 0 407.002 3.868 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000511649180 1005261348 /nfs/dbraw/zinc/26/13/48/1005261348.db2.gz PBTUBRKUSOCUTH-UHFFFAOYSA-N 2 0 406.640 3.717 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000514094997 1005262901 /nfs/dbraw/zinc/26/29/01/1005262901.db2.gz PGXGSODEMWYUTI-ZJSPYRCASA-N 3 0 412.666 3.539 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514107626 1005268523 /nfs/dbraw/zinc/26/85/23/1005268523.db2.gz NXYLPCOPUBFPAS-SZPZYZBQSA-N 2 0 414.638 3.956 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000514119153 1005274486 /nfs/dbraw/zinc/27/44/86/1005274486.db2.gz RNDKQLCYJLHTPM-VQTJNVASSA-N 2 0 406.640 3.771 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514131437 1005281310 /nfs/dbraw/zinc/28/13/10/1005281310.db2.gz YGJYVGZDGZTILX-QFIPXVFZSA-N 2 0 406.574 3.782 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000502937815 1005283245 /nfs/dbraw/zinc/28/32/45/1005283245.db2.gz FCMRQUSHNVFTOV-OYRHEFFESA-N 2 0 400.611 3.660 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000514144145 1005287725 /nfs/dbraw/zinc/28/77/25/1005287725.db2.gz CGHUHNHTUJCYFG-HXUWFJFHSA-N 2 0 404.624 3.839 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502948985 1005288675 /nfs/dbraw/zinc/28/86/75/1005288675.db2.gz KUMADVSITXEVRR-NRFANRHFSA-N 2 0 400.611 3.947 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000514178668 1005299917 /nfs/dbraw/zinc/29/99/17/1005299917.db2.gz AJRPCZFSYYUXRE-TZIWHRDSSA-N 2 0 416.610 3.642 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[NH+](C)C)c1 ZINC000514181873 1005301254 /nfs/dbraw/zinc/30/12/54/1005301254.db2.gz FYZDBUKYQNSQQC-BJKOFHAPSA-N 2 0 424.589 3.743 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000514233594 1005324548 /nfs/dbraw/zinc/32/45/48/1005324548.db2.gz CCEPOAZYDKDEGB-DEOSSOPVSA-N 2 0 403.526 3.517 20 0 HHADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000503052411 1005328890 /nfs/dbraw/zinc/32/88/90/1005328890.db2.gz KZALHNZCFZMBLE-VWLOTQADSA-N 2 0 407.602 3.895 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000503056864 1005330781 /nfs/dbraw/zinc/33/07/81/1005330781.db2.gz HIGXEBKOCKVCIX-GBXCKJPGSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000503094323 1005345908 /nfs/dbraw/zinc/34/59/08/1005345908.db2.gz OYNWLPDALFDQCB-LAUBAEHRSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000503094325 1005345974 /nfs/dbraw/zinc/34/59/74/1005345974.db2.gz OYNWLPDALFDQCB-UWJYYQICSA-N 2 0 400.542 3.857 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000503212881 1005369772 /nfs/dbraw/zinc/36/97/72/1005369772.db2.gz WOEVRRTZSVKHFQ-UHFFFAOYSA-N 2 0 423.605 3.781 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000503337288 1005393168 /nfs/dbraw/zinc/39/31/68/1005393168.db2.gz CYJMYJCXJCEDNJ-NHCUHLMSSA-N 2 0 404.599 3.960 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[NH+](C)C)cc1 ZINC000503349632 1005395550 /nfs/dbraw/zinc/39/55/50/1005395550.db2.gz WJZFASCUDPGJFX-FYYLOGMGSA-N 2 0 400.611 3.895 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000503386843 1005404953 /nfs/dbraw/zinc/40/49/53/1005404953.db2.gz FIXGWJOGDXQWKX-LADGPHEKSA-N 2 0 412.622 3.977 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000503413549 1005412902 /nfs/dbraw/zinc/41/29/02/1005412902.db2.gz GNQJNJYWZCBFAA-SIKLNZKXSA-N 2 0 404.574 3.726 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)C[C@H]1C ZINC000503430493 1005418147 /nfs/dbraw/zinc/41/81/47/1005418147.db2.gz RTLHGXFNZBASFD-MQSCRBSSSA-N 2 0 415.622 3.576 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCCCC1 ZINC000503458947 1005426587 /nfs/dbraw/zinc/42/65/87/1005426587.db2.gz HXKJWLHPRQADDZ-JOCHJYFZSA-N 2 0 400.611 3.505 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496493 1005437073 /nfs/dbraw/zinc/43/70/73/1005437073.db2.gz AELGUIYGNZLOBB-UKILVPOCSA-N 2 0 422.617 3.716 20 0 HHADRP Cc1ccccc1C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000503627135 1005468138 /nfs/dbraw/zinc/46/81/38/1005468138.db2.gz JVANAFUTNLCJCO-UHFFFAOYSA-N 2 0 420.601 3.920 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000503707991 1005484012 /nfs/dbraw/zinc/48/40/12/1005484012.db2.gz LQMYWGQPQFZECQ-SFHVURJKSA-N 2 0 415.409 3.896 20 0 HHADRP O=C(NCCC[NH2+]C1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503984677 1005525991 /nfs/dbraw/zinc/52/59/91/1005525991.db2.gz FMSTUMNNRGTTQG-UHFFFAOYSA-N 2 0 407.002 3.916 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000504199135 1005571876 /nfs/dbraw/zinc/57/18/76/1005571876.db2.gz JXANHIHTPQMOBQ-XMMPIXPASA-N 2 0 406.574 3.820 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000531141760 1006014870 /nfs/dbraw/zinc/01/48/70/1006014870.db2.gz DADVABHKHVWLGV-UHFFFAOYSA-N 2 0 400.450 3.719 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000514566391 1006039873 /nfs/dbraw/zinc/03/98/73/1006039873.db2.gz RSECXHFJLFUPSO-QHCPKHFHSA-N 2 0 410.562 3.723 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000514833561 1006163959 /nfs/dbraw/zinc/16/39/59/1006163959.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 2 0 420.601 3.712 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000531395445 1006171298 /nfs/dbraw/zinc/17/12/98/1006171298.db2.gz KVXKYYIATSRBLA-NFBKMPQASA-N 2 0 400.611 3.659 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1)Cc1ccccc1 ZINC000531405935 1006176866 /nfs/dbraw/zinc/17/68/66/1006176866.db2.gz HBMBRWFGZBNBCB-UHFFFAOYSA-N 2 0 416.569 3.695 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205378 1006197501 /nfs/dbraw/zinc/19/75/01/1006197501.db2.gz ZUDMVVLGTMHECQ-SYNHAJSKSA-N 2 0 410.965 3.501 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000531443449 1006200347 /nfs/dbraw/zinc/20/03/47/1006200347.db2.gz NSIKFIAUCIULHH-HXUWFJFHSA-N 2 0 406.574 3.948 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207379 1006200529 /nfs/dbraw/zinc/20/05/29/1006200529.db2.gz XAJNVNCZLRBBQW-MDYRTPRTSA-N 2 0 410.965 3.503 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249343 1006257541 /nfs/dbraw/zinc/25/75/41/1006257541.db2.gz CYKDAIBWZORHQB-RXVVDRJESA-N 2 0 424.992 3.893 20 0 HHADRP CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1C1CC1 ZINC000534252041 1006260547 /nfs/dbraw/zinc/26/05/47/1006260547.db2.gz SBPNFMRMCNBBDN-MJGOQNOKSA-N 2 0 404.603 3.611 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000534253196 1006261739 /nfs/dbraw/zinc/26/17/39/1006261739.db2.gz UVQKGIWVQYHIMH-QFIPXVFZSA-N 2 0 419.491 3.819 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000534253969 1006262595 /nfs/dbraw/zinc/26/25/95/1006262595.db2.gz LZGYBUIEFXMLBT-HXUWFJFHSA-N 2 0 402.514 3.507 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531582199 1006284684 /nfs/dbraw/zinc/28/46/84/1006284684.db2.gz HIJUSBVMZCXDSK-NRFANRHFSA-N 2 0 411.638 3.841 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000531719785 1006377691 /nfs/dbraw/zinc/37/76/91/1006377691.db2.gz PQMPQXDMWGCJLA-JXFKEZNVSA-N 2 0 415.965 3.897 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC000515290957 1006380200 /nfs/dbraw/zinc/38/02/00/1006380200.db2.gz NRPUBDWALDTWHM-VXKWHMMOSA-N 2 0 400.542 3.593 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000531738869 1006390330 /nfs/dbraw/zinc/39/03/30/1006390330.db2.gz CLNBIIAZQBAOGW-UIFIKXQLSA-N 2 0 404.986 3.603 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000515383876 1006429013 /nfs/dbraw/zinc/42/90/13/1006429013.db2.gz ILUOIQRWLWFFOK-XMMPIXPASA-N 2 0 421.589 3.705 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnc([C@H]4CCCO4)s3)CC2)c1 ZINC000534452684 1006435000 /nfs/dbraw/zinc/43/50/00/1006435000.db2.gz NNONVUXJDLMIGN-JOCHJYFZSA-N 2 0 414.619 3.995 20 0 HHADRP COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N(C)C ZINC000531851470 1006472855 /nfs/dbraw/zinc/47/28/55/1006472855.db2.gz ZMAIQTZOZJFUGP-XMMPIXPASA-N 2 0 410.606 3.618 20 0 HHADRP COc1cc2c(cc1C[NH2+]CCCC[NH+]1CCN(c3ccccc3)CC1)O[C@@H](C)C2 ZINC000515479177 1006492307 /nfs/dbraw/zinc/49/23/07/1006492307.db2.gz XHRLPNSLNQOMIM-FQEVSTJZSA-N 2 0 409.574 3.711 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000531885194 1006499059 /nfs/dbraw/zinc/49/90/59/1006499059.db2.gz KYSREZFDOPIAQU-WOJBJXKFSA-N 2 0 400.611 3.659 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000532041394 1006595227 /nfs/dbraw/zinc/59/52/27/1006595227.db2.gz YKZSTVIFXBGNSH-UHFFFAOYSA-N 2 0 413.635 3.608 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000532042236 1006596556 /nfs/dbraw/zinc/59/65/56/1006596556.db2.gz GQCOXFKBAZPHJD-JOCHJYFZSA-N 2 0 422.617 3.843 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000538390997 1006660690 /nfs/dbraw/zinc/66/06/90/1006660690.db2.gz IGKBLHPKUGTARQ-VWLOTQADSA-N 2 0 407.558 3.648 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000515775239 1006663542 /nfs/dbraw/zinc/66/35/42/1006663542.db2.gz KVCKQJOLPGKFEN-UHFFFAOYSA-N 2 0 407.602 3.922 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720391 1006707021 /nfs/dbraw/zinc/70/70/21/1006707021.db2.gz ADVJBVANPOEKQQ-BJKOFHAPSA-N 2 0 406.574 3.738 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000515844654 1006713637 /nfs/dbraw/zinc/71/36/37/1006713637.db2.gz KDNYVBKHKQQAED-BGYRXZFFSA-N 2 0 406.590 3.657 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(c4ccccn4)CC3)CC2)c1 ZINC000532200839 1006716803 /nfs/dbraw/zinc/71/68/03/1006716803.db2.gz FHRYLWWOAVAXKN-UHFFFAOYSA-N 2 0 407.606 3.551 20 0 HHADRP Brc1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CCOCC2)cc1 ZINC000532217025 1006728266 /nfs/dbraw/zinc/72/82/66/1006728266.db2.gz BMFDSPUJCIRVPJ-UHFFFAOYSA-N 2 0 407.396 3.961 20 0 HHADRP FC(F)(F)c1ccc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCOCC2)cc1 ZINC000532219140 1006728963 /nfs/dbraw/zinc/72/89/63/1006728963.db2.gz TWBLRIMGOBQUIR-NRFANRHFSA-N 2 0 411.512 3.543 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269718 1006759931 /nfs/dbraw/zinc/75/99/31/1006759931.db2.gz SQQYAWFWZJGONC-VQTJNVASSA-N 2 0 422.495 3.749 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cc2)c1 ZINC000532374008 1006830900 /nfs/dbraw/zinc/83/09/00/1006830900.db2.gz NZZYRDOCYPBHOD-UHFFFAOYSA-N 2 0 414.546 3.821 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc(-n3cccn3)c2)c1)C1CCOCC1 ZINC000532376200 1006832165 /nfs/dbraw/zinc/83/21/65/1006832165.db2.gz QVFOKLUVZNBCBY-UHFFFAOYSA-N 2 0 420.557 3.652 20 0 HHADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532482618 1006921395 /nfs/dbraw/zinc/92/13/95/1006921395.db2.gz MXNDDAHGKJNGEX-IAGOWNOFSA-N 2 0 410.537 3.874 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(CCN3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)C2)CC1 ZINC000532512100 1006950291 /nfs/dbraw/zinc/95/02/91/1006950291.db2.gz VSCVSEXCYTWUMT-CLJLJLNGSA-N 2 0 418.714 3.874 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1sccc1Br ZINC000532519068 1006957337 /nfs/dbraw/zinc/95/73/37/1006957337.db2.gz GLKOGFQBVSGWRJ-CYBMUJFWSA-N 2 0 416.429 3.788 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233230 1006965050 /nfs/dbraw/zinc/96/50/50/1006965050.db2.gz RGZXZBSBIAUKNP-ZVDOUQERSA-N 2 0 415.626 3.625 20 0 HHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000532550293 1006981598 /nfs/dbraw/zinc/98/15/98/1006981598.db2.gz FEYOGAFOUSEEBF-UHFFFAOYSA-N 2 0 422.617 3.707 20 0 HHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000532551441 1006982563 /nfs/dbraw/zinc/98/25/63/1006982563.db2.gz HFFDGDQZJXWTSU-UHFFFAOYSA-N 2 0 422.617 3.707 20 0 HHADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000534943340 1006985442 /nfs/dbraw/zinc/98/54/42/1006985442.db2.gz UHXBRLPIGQLWBI-APWZRJJASA-N 2 0 410.965 3.646 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534971360 1007028055 /nfs/dbraw/zinc/02/80/55/1007028055.db2.gz NEQBLDXFNHGDFQ-UZLBHIALSA-N 2 0 410.965 3.644 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000534980553 1007039290 /nfs/dbraw/zinc/03/92/90/1007039290.db2.gz WQKCSUMAEPHHEQ-GOSISDBHSA-N 2 0 418.582 3.660 20 0 HHADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534991204 1007051510 /nfs/dbraw/zinc/05/15/10/1007051510.db2.gz CLBLDTBDCKSYGA-SYNHAJSKSA-N 2 0 410.965 3.503 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nnc(-c3ccccc3)o2)CC1 ZINC000532671509 1007086731 /nfs/dbraw/zinc/08/67/31/1007086731.db2.gz BZCWKXDFJHAAKC-UHFFFAOYSA-N 2 0 405.546 3.601 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581644 1007166455 /nfs/dbraw/zinc/16/64/55/1007166455.db2.gz HNHRFVTWCULQJE-DENIHFKCSA-N 2 0 412.553 3.734 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1)CC1CC1 ZINC000538909630 1007193295 /nfs/dbraw/zinc/19/32/95/1007193295.db2.gz XABQHAYLYLSXBO-QHCPKHFHSA-N 2 0 418.601 3.972 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000538917507 1007202925 /nfs/dbraw/zinc/20/29/25/1007202925.db2.gz ZRYJUHGHBXPOJA-HXUWFJFHSA-N 2 0 415.607 3.694 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942343 1007225408 /nfs/dbraw/zinc/22/54/08/1007225408.db2.gz DHGRBGRWUWHMFT-NRFANRHFSA-N 2 0 408.590 3.975 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181589 1007227235 /nfs/dbraw/zinc/22/72/35/1007227235.db2.gz MLRHASKSTYBFRI-YKSBVNFPSA-N 2 0 412.622 3.934 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1nc2ccccc2s1 ZINC000538944139 1007228594 /nfs/dbraw/zinc/22/85/94/1007228594.db2.gz NFRCYUAAQYZILS-UHFFFAOYSA-N 2 0 409.559 3.868 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516684500 1007231234 /nfs/dbraw/zinc/23/12/34/1007231234.db2.gz FLMUDSDCCDSELJ-SVFBPWRDSA-N 2 0 400.611 3.625 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)C2)CC1 ZINC000535220486 1007272195 /nfs/dbraw/zinc/27/21/95/1007272195.db2.gz MUAKFHWPTHUOLL-NRFANRHFSA-N 2 0 414.594 3.747 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)C2)CC1 ZINC000535220488 1007272219 /nfs/dbraw/zinc/27/22/19/1007272219.db2.gz MUAKFHWPTHUOLL-OAQYLSRUSA-N 2 0 414.594 3.747 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[NH+]2CCCC2)cc1 ZINC000538980186 1007272448 /nfs/dbraw/zinc/27/24/48/1007272448.db2.gz FXHZAGPQSQGORK-DEOSSOPVSA-N 2 0 421.589 3.743 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000538982565 1007276476 /nfs/dbraw/zinc/27/64/76/1007276476.db2.gz XZCRLJPTGOJPAM-NRFANRHFSA-N 2 0 415.969 3.554 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000516765780 1007279603 /nfs/dbraw/zinc/27/96/03/1007279603.db2.gz QNJQKUUXHFLGTM-IFMALSPDSA-N 2 0 413.537 3.974 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532956653 1007323468 /nfs/dbraw/zinc/32/34/68/1007323468.db2.gz CWACNOQXJUXNPV-DOIPELPJSA-N 2 0 413.606 3.564 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058974 1007353023 /nfs/dbraw/zinc/35/30/23/1007353023.db2.gz BABDVQJLRMRJEZ-PNDGYVOYSA-N 2 0 417.500 3.528 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061905 1007354779 /nfs/dbraw/zinc/35/47/79/1007354779.db2.gz PNULEWGOENUYLY-PNDGYVOYSA-N 2 0 417.500 3.528 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539065108 1007357710 /nfs/dbraw/zinc/35/77/10/1007357710.db2.gz PCELRPDNFQVVRJ-MTNREXPMSA-N 2 0 402.583 3.635 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000539071208 1007362964 /nfs/dbraw/zinc/36/29/64/1007362964.db2.gz PDZNKEFHUXXVPZ-GOSISDBHSA-N 2 0 412.553 3.568 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072105 1007363391 /nfs/dbraw/zinc/36/33/91/1007363391.db2.gz CSJOSHKLMVLNPK-BBWFWOEESA-N 2 0 405.974 3.769 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539076713 1007368375 /nfs/dbraw/zinc/36/83/75/1007368375.db2.gz HZMKHVHWBOKOKS-IBGZPJMESA-N 2 0 416.610 3.784 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084697 1007373220 /nfs/dbraw/zinc/37/32/20/1007373220.db2.gz QCKFRXJBLVKWEA-KKSFZXQISA-N 2 0 401.938 3.737 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccc(Br)cc3)C3CC3)ccn2)CC1 ZINC000539162192 1007462588 /nfs/dbraw/zinc/46/25/88/1007462588.db2.gz WCAUZMYCOJCJNV-OAQYLSRUSA-N 2 0 415.379 3.837 20 0 HHADRP CN(c1ccccc1CNc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000533212218 1007539840 /nfs/dbraw/zinc/53/98/40/1007539840.db2.gz HSPBPYKIIWCSLH-UHFFFAOYSA-N 2 0 421.633 3.577 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271572 1007586168 /nfs/dbraw/zinc/58/61/68/1007586168.db2.gz ZVYIHIBECFXMDG-UHFFFAOYSA-N 2 0 411.594 3.870 20 0 HHADRP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533278543 1007590643 /nfs/dbraw/zinc/59/06/43/1007590643.db2.gz GRAHGDVKJNHTDO-ANTGDGSKSA-N 2 0 419.635 3.621 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539308413 1007606468 /nfs/dbraw/zinc/60/64/68/1007606468.db2.gz HXGIAJUYSIGSCZ-PKTZIBPZSA-N 2 0 400.588 3.861 20 0 HHADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000539313802 1007611984 /nfs/dbraw/zinc/61/19/84/1007611984.db2.gz JIPQSVKKTCIEIL-QKNQBKEWSA-N 2 0 418.601 3.798 20 0 HHADRP Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)on2)cc1 ZINC000517449698 1007672962 /nfs/dbraw/zinc/67/29/62/1007672962.db2.gz XOPMBOPUPZPFNX-UHFFFAOYSA-N 2 0 412.578 3.566 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000535670916 1007689621 /nfs/dbraw/zinc/68/96/21/1007689621.db2.gz WPKKXHHKSCUXNA-QGZVFWFLSA-N 2 0 400.542 3.816 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000535673457 1007694258 /nfs/dbraw/zinc/69/42/58/1007694258.db2.gz ZAFXAWVWZQGOGR-UWJYYQICSA-N 2 0 418.582 3.831 20 0 HHADRP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535676333 1007701929 /nfs/dbraw/zinc/70/19/29/1007701929.db2.gz QFXKXPKEEUNBRW-HXUWFJFHSA-N 2 0 409.549 3.819 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000535697343 1007732901 /nfs/dbraw/zinc/73/29/01/1007732901.db2.gz AFEHFROJKJLOGK-UHFFFAOYSA-N 2 0 412.622 3.947 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699949 1007735626 /nfs/dbraw/zinc/73/56/26/1007735626.db2.gz KVSINEKRAILDBA-OXQOHEQNSA-N 2 0 410.965 3.644 20 0 HHADRP CCCn1nc(C)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1C ZINC000539503471 1007813307 /nfs/dbraw/zinc/81/33/07/1007813307.db2.gz ASQUXLUSHLPJBS-UHFFFAOYSA-N 2 0 423.527 3.970 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000535826650 1007841918 /nfs/dbraw/zinc/84/19/18/1007841918.db2.gz LHLHPKNPJBYKDC-ROKPMTFOSA-N 2 0 402.579 3.566 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576616 1007892650 /nfs/dbraw/zinc/89/26/50/1007892650.db2.gz PLFDCUCPLRVQCQ-WOJBJXKFSA-N 2 0 411.512 3.874 20 0 HHADRP CCC1(CNC(=O)N2CCC(C[NH+](C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000533611956 1007913173 /nfs/dbraw/zinc/91/31/73/1007913173.db2.gz WJZGWLNGSJSATD-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728033 1007934148 /nfs/dbraw/zinc/93/41/48/1007934148.db2.gz FSCONJUKENJUFU-UKILVPOCSA-N 2 0 421.585 3.861 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517730405 1007935928 /nfs/dbraw/zinc/93/59/28/1007935928.db2.gz VNFVEPOBJDRAGR-DEOSSOPVSA-N 2 0 405.586 3.722 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945940 1007978860 /nfs/dbraw/zinc/97/88/60/1007978860.db2.gz YRDIOCBJSANDHT-NHCUHLMSSA-N 2 0 418.651 3.894 20 0 HHADRP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)nnn1-c1ccccc1 ZINC000539687823 1008007512 /nfs/dbraw/zinc/00/75/12/1008007512.db2.gz FLNHOIDOJVFYCP-KRWDZBQOSA-N 2 0 405.550 3.674 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000517884057 1008028221 /nfs/dbraw/zinc/02/82/21/1008028221.db2.gz XPEWMOYKTXBXTH-VQTJNVASSA-N 2 0 406.640 3.941 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)C1 ZINC000517917974 1008056219 /nfs/dbraw/zinc/05/62/19/1008056219.db2.gz VDLBBXAITBKALJ-IMSXRSKXSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC000533732175 1008058629 /nfs/dbraw/zinc/05/86/29/1008058629.db2.gz OVUNKKAVRBTBAM-XALAGWIPSA-N 2 0 410.606 3.555 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000539820537 1008114099 /nfs/dbraw/zinc/11/40/99/1008114099.db2.gz MANIZXUPPGYWCJ-DEOSSOPVSA-N 2 0 423.649 3.829 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893437 1008187060 /nfs/dbraw/zinc/18/70/60/1008187060.db2.gz WMZXCTFGGUXMOZ-YADHBBJMSA-N 2 0 412.603 3.705 20 0 HHADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000539968523 1008212527 /nfs/dbraw/zinc/21/25/27/1008212527.db2.gz FGNOGPNTEPNYKD-JKSUJKDBSA-N 2 0 420.598 3.943 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000539975616 1008216847 /nfs/dbraw/zinc/21/68/47/1008216847.db2.gz AAEIUUOWVFCRHT-ZEQRLZLVSA-N 2 0 421.589 3.775 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000539976662 1008217318 /nfs/dbraw/zinc/21/73/18/1008217318.db2.gz XKQINYIRIBWIMN-UHFFFAOYSA-N 2 0 413.610 3.737 20 0 HHADRP CCc1ccc(CNC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000540044609 1008254187 /nfs/dbraw/zinc/25/41/87/1008254187.db2.gz IFXQHFFGBQDMMN-UHFFFAOYSA-N 2 0 400.592 3.560 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)c(C)n2n1 ZINC000540085930 1008279717 /nfs/dbraw/zinc/27/97/17/1008279717.db2.gz YWYYVPKEVHGUMR-IRXDYDNUSA-N 2 0 410.541 3.649 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318748 /nfs/dbraw/zinc/31/87/48/1008318748.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 2 0 420.601 3.675 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170655 1008320625 /nfs/dbraw/zinc/32/06/25/1008320625.db2.gz ITAXYVCEYPTCBY-OWCLPIDISA-N 2 0 416.347 3.831 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000540172775 1008322193 /nfs/dbraw/zinc/32/21/93/1008322193.db2.gz UXTKMEHOKLKASN-RCZVLFRGSA-N 2 0 421.585 3.770 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175114 1008323212 /nfs/dbraw/zinc/32/32/12/1008323212.db2.gz HGYWVWXYLVSIRN-OXJNMPFZSA-N 2 0 401.938 3.737 20 0 HHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540176824 1008323483 /nfs/dbraw/zinc/32/34/83/1008323483.db2.gz YRHYENJZFZFFGL-INIZCTEOSA-N 2 0 403.954 3.881 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)OC)s2)CC1 ZINC000540411054 1008421674 /nfs/dbraw/zinc/42/16/74/1008421674.db2.gz GZLKZEQMJCHHTJ-HNNXBMFYSA-N 2 0 405.539 3.667 20 0 HHADRP C[N@H+](CCc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1)C1CC1 ZINC000540431876 1008430844 /nfs/dbraw/zinc/43/08/44/1008430844.db2.gz HRTKUCKGAGPKES-UHFFFAOYSA-N 2 0 420.601 3.864 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468384 1008443052 /nfs/dbraw/zinc/44/30/52/1008443052.db2.gz NHMKHKBFFBZPOY-DNQXCXABSA-N 2 0 421.585 3.638 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000540508035 1008460387 /nfs/dbraw/zinc/46/03/87/1008460387.db2.gz XGXVGSDMQCZHES-XMSQKQJNSA-N 2 0 403.530 3.906 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nccn3Cc3ccccc3)CC2)c1 ZINC000540508605 1008460734 /nfs/dbraw/zinc/46/07/34/1008460734.db2.gz BTSQEERIAIWHPX-UHFFFAOYSA-N 2 0 417.601 3.932 20 0 HHADRP Clc1cc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000540552583 1008478314 /nfs/dbraw/zinc/47/83/14/1008478314.db2.gz SGRGFGYAVKZLMT-UHFFFAOYSA-N 2 0 408.970 3.621 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950905 1008536834 /nfs/dbraw/zinc/53/68/34/1008536834.db2.gz ZHFDGAMRJFTOOG-ZYLNGJIFSA-N 2 0 424.585 3.897 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000519137275 1008558526 /nfs/dbraw/zinc/55/85/26/1008558526.db2.gz MCDPRVIELSHSDT-HXUWFJFHSA-N 2 0 409.574 3.584 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000548982453 1008560939 /nfs/dbraw/zinc/56/09/39/1008560939.db2.gz SQWITSZDVCHGFA-UHFFFAOYSA-N 2 0 419.573 3.691 20 0 HHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543081178 1008657955 /nfs/dbraw/zinc/65/79/55/1008657955.db2.gz BTNLSFPTYBJGJH-AVRDEDQJSA-N 2 0 411.615 3.827 20 0 HHADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000519251774 1008658802 /nfs/dbraw/zinc/65/88/02/1008658802.db2.gz PBFMQKLQHVABMG-UHFFFAOYSA-N 2 0 422.617 3.857 20 0 HHADRP Cc1ccc2c(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)ccc(O)c2n1 ZINC000549139104 1008708807 /nfs/dbraw/zinc/70/88/07/1008708807.db2.gz QMQYKFGXQYOJOY-UHFFFAOYSA-N 2 0 410.606 3.877 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204625 1008776965 /nfs/dbraw/zinc/77/69/65/1008776965.db2.gz KWNFZMZQUVNVFM-XZOQPEGZSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549208205 1008779954 /nfs/dbraw/zinc/77/99/54/1008779954.db2.gz VDUAKUNFWIINSY-DENIHFKCSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1nccn1CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243332 1008813422 /nfs/dbraw/zinc/81/34/22/1008813422.db2.gz YVZIZRVSWFSMBE-KRIYCRJKSA-N 2 0 415.969 3.758 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000519500069 1008871518 /nfs/dbraw/zinc/87/15/18/1008871518.db2.gz MMGYYZGIWPZENL-HSZRJFAPSA-N 2 0 412.553 3.736 20 0 HHADRP COc1cccc(OC)c1OCCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519725070 1008979078 /nfs/dbraw/zinc/97/90/78/1008979078.db2.gz JTCYGAKUZHAHNU-PMACEKPBSA-N 2 0 420.594 3.684 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543401834 1008994495 /nfs/dbraw/zinc/99/44/95/1008994495.db2.gz UZKGYSQIXCOXMM-QHCPKHFHSA-N 2 0 412.553 3.526 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000520056501 1009218192 /nfs/dbraw/zinc/21/81/92/1009218192.db2.gz CXTQESLYBCJVDZ-GOSISDBHSA-N 2 0 413.031 3.792 20 0 HHADRP CN(C)C(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549625819 1009253446 /nfs/dbraw/zinc/25/34/46/1009253446.db2.gz JLWNUIADBDYLHP-IFTBVCKDSA-N 2 0 419.013 3.990 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775787 1009344300 /nfs/dbraw/zinc/34/43/00/1009344300.db2.gz UQUWQCOJDRTOCN-JXFKEZNVSA-N 2 0 419.338 3.932 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000520296157 1009419723 /nfs/dbraw/zinc/41/97/23/1009419723.db2.gz OVZUSFMKFWJUME-UHFFFAOYSA-N 2 0 406.368 3.826 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000549858284 1009477871 /nfs/dbraw/zinc/47/78/71/1009477871.db2.gz LZPXCUJBSKCWTA-JTSKRJEESA-N 2 0 407.493 3.557 20 0 HHADRP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(C(C)(C)C)n1 ZINC000549877208 1009498572 /nfs/dbraw/zinc/49/85/72/1009498572.db2.gz HGNFNJICEQGNNL-QFIPXVFZSA-N 2 0 410.606 3.736 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000543937304 1009529587 /nfs/dbraw/zinc/52/95/87/1009529587.db2.gz BUZQHTKFIAKDHC-QFIPXVFZSA-N 2 0 406.590 3.972 20 0 HHADRP C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000520621597 1009699370 /nfs/dbraw/zinc/69/93/70/1009699370.db2.gz MQAHFPPHEDGKPD-HNNXBMFYSA-N 2 0 415.409 3.592 20 0 HHADRP Cc1cccc([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189719 1009792997 /nfs/dbraw/zinc/79/29/97/1009792997.db2.gz JKRJULNKWFJHAK-QPPBQGQZSA-N 2 0 405.586 3.954 20 0 HHADRP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000546873289 1009835503 /nfs/dbraw/zinc/83/55/03/1009835503.db2.gz SZCPIWUGIQGMOP-UHFFFAOYSA-N 2 0 422.411 3.684 20 0 HHADRP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000546885318 1009845306 /nfs/dbraw/zinc/84/53/06/1009845306.db2.gz IZFFXNLXKFTUJN-NRFANRHFSA-N 2 0 420.384 3.892 20 0 HHADRP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933994 1009893028 /nfs/dbraw/zinc/89/30/28/1009893028.db2.gz IDURLTIMNVCQKD-PMACEKPBSA-N 2 0 417.619 3.945 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000520897339 1009951373 /nfs/dbraw/zinc/95/13/73/1009951373.db2.gz ZJXNILVVPSCUCU-HXUWFJFHSA-N 2 0 422.564 3.883 20 0 HHADRP CCCCOc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OC ZINC000544594727 1010220999 /nfs/dbraw/zinc/22/09/99/1010220999.db2.gz LWXPVSZBBXWNDG-UHFFFAOYSA-N 2 0 403.611 3.724 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605246 1010231675 /nfs/dbraw/zinc/23/16/75/1010231675.db2.gz JLMPWBFEYLDTGP-LJQANCHMSA-N 2 0 402.583 3.745 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544638000 1010262327 /nfs/dbraw/zinc/26/23/27/1010262327.db2.gz SWRFASPXZQLBHY-LAUBAEHRSA-N 2 0 407.002 3.849 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CC[N@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000547430918 1010302097 /nfs/dbraw/zinc/30/20/97/1010302097.db2.gz AGWMANGFKVRSLD-PMACEKPBSA-N 2 0 401.595 3.567 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000551008411 1010313177 /nfs/dbraw/zinc/31/31/77/1010313177.db2.gz LFIZHEIOJNDVAC-WSUXWNOTSA-N 2 0 406.636 3.858 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000521428871 1010371413 /nfs/dbraw/zinc/37/14/13/1010371413.db2.gz ZWKASARHLJKBPF-OAHLLOKOSA-N 2 0 401.473 3.966 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826501 1010439859 /nfs/dbraw/zinc/43/98/59/1010439859.db2.gz PFDDECHHUFKVDB-GPUOULLFSA-N 2 0 405.586 3.720 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827843 1010441406 /nfs/dbraw/zinc/44/14/06/1010441406.db2.gz IKFIANIAKSHWSE-FBBABVLZSA-N 2 0 422.491 3.945 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521534767 1010445390 /nfs/dbraw/zinc/44/53/90/1010445390.db2.gz ZYIWTLKTFGBGDA-QHCPKHFHSA-N 2 0 409.549 3.950 20 0 HHADRP O=C(C[NH2+][C@H](CCO)C1CCCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544898834 1010474792 /nfs/dbraw/zinc/47/47/92/1010474792.db2.gz WVTMCRWFXQWFCP-YADHBBJMSA-N 2 0 422.013 3.514 20 0 HHADRP C[C@@H](CC[NH+](C)C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521603223 1010498814 /nfs/dbraw/zinc/49/88/14/1010498814.db2.gz ILMJEESGAOIFEY-INIZCTEOSA-N 2 0 415.409 3.941 20 0 HHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000521674304 1010541192 /nfs/dbraw/zinc/54/11/92/1010541192.db2.gz GSAJSVYYZJVKCD-AWEZNQCLSA-N 2 0 410.331 3.644 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521685632 1010550085 /nfs/dbraw/zinc/55/00/85/1010550085.db2.gz ATEQVKYZMAEXQD-WOJBJXKFSA-N 2 0 406.590 3.657 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccccc3OCC[NH+](C)C)no2)CC1 ZINC000545084879 1010604461 /nfs/dbraw/zinc/60/44/61/1010604461.db2.gz XRAZJHVLRQEFAC-UHFFFAOYSA-N 2 0 407.518 3.764 20 0 HHADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[N@@H+]1C ZINC000548414422 1010619525 /nfs/dbraw/zinc/61/95/25/1010619525.db2.gz VDRRVGIOFOUMGG-WMZOPIPTSA-N 2 0 411.512 3.859 20 0 HHADRP C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000521797476 1010625841 /nfs/dbraw/zinc/62/58/41/1010625841.db2.gz UUTYCWNQDCIETQ-GUDVDZBRSA-N 2 0 400.567 3.701 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548482136 1010640998 /nfs/dbraw/zinc/64/09/98/1010640998.db2.gz XNJIGGCYZHDQJZ-QPPBQGQZSA-N 3 0 407.602 3.644 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000522044339 1010774664 /nfs/dbraw/zinc/77/46/64/1010774664.db2.gz NLRQGXGVGVJNRG-UHFFFAOYSA-N 2 0 407.558 3.687 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000522310383 1010921668 /nfs/dbraw/zinc/92/16/68/1010921668.db2.gz OIJKBEJZHCPNQZ-NRFANRHFSA-N 2 0 408.590 3.515 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000522323794 1010930094 /nfs/dbraw/zinc/93/00/94/1010930094.db2.gz CPQCBBXNEBWNIQ-MZKRTTBSSA-N 2 0 400.611 3.694 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522468189 1011031021 /nfs/dbraw/zinc/03/10/21/1011031021.db2.gz SIVOJSDCKWWLDV-MOPGFXCFSA-N 2 0 416.591 3.923 20 0 HHADRP CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000522726464 1011180095 /nfs/dbraw/zinc/18/00/95/1011180095.db2.gz HNZBXRITOBYARP-FQEVSTJZSA-N 2 0 415.607 3.742 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccn(-c3ccccc3)n2)CC1 ZINC000536134021 1011258178 /nfs/dbraw/zinc/25/81/78/1011258178.db2.gz NRGDKSKTUIWGPZ-UHFFFAOYSA-N 2 0 409.965 3.610 20 0 HHADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522837444 1011274384 /nfs/dbraw/zinc/27/43/84/1011274384.db2.gz AIYAKMJENIAWKM-UHFFFAOYSA-N 2 0 410.562 3.540 20 0 HHADRP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231961 1011380608 /nfs/dbraw/zinc/38/06/08/1011380608.db2.gz IWUBAAPWKCYTJR-RPWUZVMVSA-N 2 0 406.574 3.738 20 0 HHADRP O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000523024358 1011488267 /nfs/dbraw/zinc/48/82/67/1011488267.db2.gz CDKRWDITAOJCRV-UHFFFAOYSA-N 2 0 404.624 3.712 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308132 1011501154 /nfs/dbraw/zinc/50/11/54/1011501154.db2.gz ZRQBOJWSWARVHL-VXNXHJTFSA-N 2 0 414.590 3.614 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000536308361 1011501372 /nfs/dbraw/zinc/50/13/72/1011501372.db2.gz HTZPIRWAAPRPHK-PTUXOGIPSA-N 2 0 402.579 3.853 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000523129864 1011598671 /nfs/dbraw/zinc/59/86/71/1011598671.db2.gz YPNSSPDXXCSLMG-JOCHJYFZSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486632 1011699388 /nfs/dbraw/zinc/69/93/88/1011699388.db2.gz SLYVXGQGTAXTBO-QFIPXVFZSA-N 2 0 417.597 3.948 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000523220152 1011708284 /nfs/dbraw/zinc/70/82/84/1011708284.db2.gz CKMKBWOSAQRJFH-FCEUIQTBSA-N 2 0 410.562 3.860 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC[NH+]2CC)c1 ZINC000523221961 1011710722 /nfs/dbraw/zinc/71/07/22/1011710722.db2.gz GEXLTGZZVDRWJU-DEOSSOPVSA-N 2 0 423.605 3.729 20 0 HHADRP CC(C)(CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000536513643 1011710976 /nfs/dbraw/zinc/71/09/76/1011710976.db2.gz CVPILDJAHOYOJD-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000541086028 1011727791 /nfs/dbraw/zinc/72/77/91/1011727791.db2.gz XNZYYHKIMUGWEF-QFIPXVFZSA-N 2 0 400.611 3.848 20 0 HHADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000536667230 1011819735 /nfs/dbraw/zinc/81/97/35/1011819735.db2.gz YFCRQALXJNAKEB-QFIPXVFZSA-N 2 0 422.997 3.975 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694754 1011862255 /nfs/dbraw/zinc/86/22/55/1011862255.db2.gz VBYCDENJQZTWCS-XMMPIXPASA-N 2 0 419.573 3.867 20 0 HHADRP COc1cccc(C[C@H](C)[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000541220649 1011894677 /nfs/dbraw/zinc/89/46/77/1011894677.db2.gz VWRDVTXXJMVGFI-INIZCTEOSA-N 2 0 422.495 3.582 20 0 HHADRP Cc1cc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n(C(C)(C)C)n1 ZINC000536724968 1011896211 /nfs/dbraw/zinc/89/62/11/1011896211.db2.gz ZGQFVMKRAUUAQZ-UHFFFAOYSA-N 2 0 412.582 3.519 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000536835134 1012066061 /nfs/dbraw/zinc/06/60/61/1012066061.db2.gz VZPWTNMSGRUYRR-LEWJYISDSA-N 2 0 421.651 3.880 20 0 HHADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000536851945 1012082704 /nfs/dbraw/zinc/08/27/04/1012082704.db2.gz MKBJQEIIFWTGIX-YOSAUDMPSA-N 2 0 409.574 3.873 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552097167 1012113133 /nfs/dbraw/zinc/11/31/33/1012113133.db2.gz VGXOHGPZWBMDFI-MRXNPFEDSA-N 2 0 418.969 3.564 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878555 1012124895 /nfs/dbraw/zinc/12/48/95/1012124895.db2.gz WOVBMXUQGSMKKO-OAQYLSRUSA-N 2 0 423.601 3.901 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536948810 1012250556 /nfs/dbraw/zinc/25/05/56/1012250556.db2.gz BECKTIKAQRQGGD-SFHVURJKSA-N 2 0 423.582 3.913 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949331 1012250796 /nfs/dbraw/zinc/25/07/96/1012250796.db2.gz YNRBPHICYLLOFQ-GOSISDBHSA-N 2 0 415.603 3.949 20 0 HHADRP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541535305 1012318480 /nfs/dbraw/zinc/31/84/80/1012318480.db2.gz WKFHKERFTPWSSM-KRWDZBQOSA-N 2 0 423.483 3.589 20 0 HHADRP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578532 1012369917 /nfs/dbraw/zinc/36/99/17/1012369917.db2.gz RHHZWLBHSPAWBE-RTWAWAEBSA-N 2 0 402.966 3.842 20 0 HHADRP CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000537108657 1012480388 /nfs/dbraw/zinc/48/03/88/1012480388.db2.gz DGRHKEVLUMNGQD-GOSISDBHSA-N 2 0 412.553 3.819 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)c1ccccc1O2 ZINC000537167880 1012570518 /nfs/dbraw/zinc/57/05/18/1012570518.db2.gz KRUHYVBPHMFJGA-QFIPXVFZSA-N 2 0 413.606 3.599 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000523911385 1012629255 /nfs/dbraw/zinc/62/92/55/1012629255.db2.gz FBLQUPHZFURPPI-NRFANRHFSA-N 2 0 408.590 3.985 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000523940632 1012674722 /nfs/dbraw/zinc/67/47/22/1012674722.db2.gz SKYGVCJKMGTBBG-YADHBBJMSA-N 2 0 412.578 3.889 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)c1 ZINC000523942546 1012677887 /nfs/dbraw/zinc/67/78/87/1012677887.db2.gz QYXHSUUNZMUUPV-UHFFFAOYSA-N 2 0 422.617 3.988 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000541812102 1012697709 /nfs/dbraw/zinc/69/77/09/1012697709.db2.gz CFFWYRLTSDVQFI-AQNXPRMDSA-N 2 0 400.611 3.515 20 0 HHADRP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)oc21 ZINC000537305479 1012762785 /nfs/dbraw/zinc/76/27/85/1012762785.db2.gz VLUZQAFZFPUTHD-KRWDZBQOSA-N 2 0 409.530 3.974 20 0 HHADRP CSC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541916990 1012774922 /nfs/dbraw/zinc/77/49/22/1012774922.db2.gz WNVYBLFLNMGUJU-MOPGFXCFSA-N 2 0 403.558 3.971 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000524153359 1012942680 /nfs/dbraw/zinc/94/26/80/1012942680.db2.gz XOVCNSWEKOOUTM-NOTZXAQLSA-N 2 0 422.573 3.944 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156232 1012947092 /nfs/dbraw/zinc/94/70/92/1012947092.db2.gz XNGQPZGASLDLEM-IBGZPJMESA-N 2 0 416.610 3.548 20 0 HHADRP Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000729681735 1071798195 /nfs/dbraw/zinc/79/81/95/1071798195.db2.gz JPQIHRGLBXMJJA-UHFFFAOYSA-N 2 0 424.420 3.851 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000729683520 1071798533 /nfs/dbraw/zinc/79/85/33/1071798533.db2.gz WDTYHIMFFBWLCY-UHFFFAOYSA-N 2 0 417.601 3.965 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)CC1 ZINC000729681209 1071801823 /nfs/dbraw/zinc/80/18/23/1071801823.db2.gz JBUWXJJVCLFPDO-MRXNPFEDSA-N 2 0 424.420 3.851 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000729683560 1071803299 /nfs/dbraw/zinc/80/32/99/1071803299.db2.gz ZSUOTTUSIBMWGO-UHFFFAOYSA-N 2 0 409.603 3.718 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000569776943 1072048045 /nfs/dbraw/zinc/04/80/45/1072048045.db2.gz MNCUPMLKSUPZTQ-ROUUACIJSA-N 2 0 413.537 3.862 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC1)C2 ZINC001168271724 1072044253 /nfs/dbraw/zinc/04/42/53/1072044253.db2.gz IFTJNDKNSWIXAP-SFTDATJTSA-N 2 0 412.599 3.979 20 0 HHADRP Cn1nccc1[C@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000729815094 1072129923 /nfs/dbraw/zinc/12/99/23/1072129923.db2.gz NUIIQKIVJOUFQN-VXKWHMMOSA-N 2 0 412.626 3.773 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC001648992815 1072393471 /nfs/dbraw/zinc/39/34/71/1072393471.db2.gz WFJRGBTUMIEUEB-UHFFFAOYSA-N 2 0 402.583 3.682 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000586865210 1072486794 /nfs/dbraw/zinc/48/67/94/1072486794.db2.gz HKEQHNPTDCHQIF-DEOSSOPVSA-N 2 0 408.590 3.809 20 0 HHADRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377858 1072529909 /nfs/dbraw/zinc/52/99/09/1072529909.db2.gz LXTOYSZWUDVWGG-OAQYLSRUSA-N 2 0 403.636 3.678 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CN2C[C@H](c3cccc(OC)c3)CC2=O)CC1)CC1CC1 ZINC000760540942 1072565126 /nfs/dbraw/zinc/56/51/26/1072565126.db2.gz YPMFQEVAJLJFEZ-HSZRJFAPSA-N 2 0 413.606 3.803 20 0 HHADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000555002695 1073051522 /nfs/dbraw/zinc/05/15/22/1073051522.db2.gz KWISOIVQFLCRQU-SWHJIRTISA-N 2 0 412.574 3.640 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3NC3CC[NH+](C)CC3)cc2)CC1 ZINC000555005335 1073054330 /nfs/dbraw/zinc/05/43/30/1073054330.db2.gz LSRIEUPJRDPAFQ-UHFFFAOYSA-N 2 0 421.589 3.587 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024714 1073113790 /nfs/dbraw/zinc/11/37/90/1073113790.db2.gz VXXCRHMUBXCMST-QFIPXVFZSA-N 2 0 418.589 3.516 20 0 HHADRP CC[C@H](C(=O)N1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555088870 1073149064 /nfs/dbraw/zinc/14/90/64/1073149064.db2.gz AIEQIVWEQPMUDW-DNQXCXABSA-N 2 0 408.590 3.805 20 0 HHADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)C[C@@H](C)O1 ZINC000555309833 1073335190 /nfs/dbraw/zinc/33/51/90/1073335190.db2.gz CNLQOCBEXGDTHV-NHCUHLMSSA-N 2 0 413.606 3.634 20 0 HHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555335592 1073360574 /nfs/dbraw/zinc/36/05/74/1073360574.db2.gz PYNFJJIFJKXKIH-OALUTQOASA-N 2 0 411.594 3.595 20 0 HHADRP CC(C)(C)OC(=O)N1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168395983 1073418574 /nfs/dbraw/zinc/41/85/74/1073418574.db2.gz AROWTIWQKBEQON-NRFANRHFSA-N 2 0 405.558 3.606 20 0 HHADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596670 /nfs/dbraw/zinc/59/66/70/1073596670.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 2 0 403.570 3.747 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000591100112 1074116564 /nfs/dbraw/zinc/11/65/64/1074116564.db2.gz LNTQWJJCZPMSAL-RTWAWAEBSA-N 2 0 401.595 3.790 20 0 HHADRP [NH3+]C1(Cc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)no2)CC[NH2+]CC1 ZINC001212168513 1074391991 /nfs/dbraw/zinc/39/19/91/1074391991.db2.gz BHIBHNVBPPFTFC-UHFFFAOYSA-N 2 0 419.407 3.566 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000591558072 1074405768 /nfs/dbraw/zinc/40/57/68/1074405768.db2.gz WEMPIKXZERQVRG-GOTSBHOMSA-N 2 0 400.611 3.599 20 0 HHADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591571100 1074416765 /nfs/dbraw/zinc/41/67/65/1074416765.db2.gz BTVQGIYAEBOZQQ-INIZCTEOSA-N 2 0 401.382 3.551 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000591581248 1074424657 /nfs/dbraw/zinc/42/46/57/1074424657.db2.gz LMNCUEZOVIYFKV-QHCPKHFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000591617468 1074444023 /nfs/dbraw/zinc/44/40/23/1074444023.db2.gz VSGJXMDYSIEOAV-NRFANRHFSA-N 2 0 408.590 3.787 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000591656074 1074455926 /nfs/dbraw/zinc/45/59/26/1074455926.db2.gz HSQFEEWIFMHETD-DHIUTWEWSA-N 2 0 414.594 3.514 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc3)CC2)c1 ZINC000592841853 1075117709 /nfs/dbraw/zinc/11/77/09/1075117709.db2.gz YOSYUEZETBYTNZ-XMMPIXPASA-N 2 0 408.590 3.842 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000574101983 1075167257 /nfs/dbraw/zinc/16/72/57/1075167257.db2.gz RWKHMKCEABRFFP-RTOPKKFASA-N 2 0 408.586 3.942 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000593501179 1075205535 /nfs/dbraw/zinc/20/55/35/1075205535.db2.gz WEVBEQKSROGFAF-UHFFFAOYSA-N 2 0 424.589 3.976 20 0 HHADRP CSC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH+](C)CC1 ZINC000574323309 1075220686 /nfs/dbraw/zinc/22/06/86/1075220686.db2.gz YFGUYQLETGBEBF-UHFFFAOYSA-N 2 0 409.340 3.968 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000594290250 1075278306 /nfs/dbraw/zinc/27/83/06/1075278306.db2.gz BHTQTRGXJSTDNW-PKTZIBPZSA-N 2 0 400.611 3.599 20 0 HHADRP [NH3+][C@]12C[C@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164422465 718895994 /nfs/dbraw/zinc/89/59/94/718895994.db2.gz VKIAPLFXHFEYNF-JPYJTQIMSA-N 2 0 424.976 3.684 20 0 HHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628647 719069288 /nfs/dbraw/zinc/06/92/88/719069288.db2.gz TUADCYWLTBTMCB-TZIWHRDSSA-N 2 0 411.981 3.698 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164740259 720592613 /nfs/dbraw/zinc/59/26/13/720592613.db2.gz ICLPNIHXDZYGLP-HSZRJFAPSA-N 2 0 422.621 3.874 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721179971 /nfs/dbraw/zinc/17/99/71/721179971.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 2 0 421.589 3.503 20 0 HHADRP Cc1cccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164775865 721329478 /nfs/dbraw/zinc/32/94/78/721329478.db2.gz ALEWILHPAZOPBU-PXDATVDWSA-N 2 0 422.573 3.522 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165023265 721821576 /nfs/dbraw/zinc/82/15/76/721821576.db2.gz ILVJZIUBJHOFLR-OZOXKJRCSA-N 2 0 411.981 3.513 20 0 HHADRP C[NH+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]21 ZINC001165020641 721826358 /nfs/dbraw/zinc/82/63/58/721826358.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 2 0 405.590 3.808 20 0 HHADRP CCN1CC[NH+]([C@@H]2CCN(c3c(C)c(C)[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000301389234 970902339 /nfs/dbraw/zinc/90/23/39/970902339.db2.gz FLDLHULMBGWRLU-GOSISDBHSA-N 2 0 417.395 3.830 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000542141619 1013075480 /nfs/dbraw/zinc/07/54/80/1013075480.db2.gz FJHGIFIOXGIFKX-AWEZNQCLSA-N 2 0 421.607 3.723 20 0 HHADRP CCN1CCN(c2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2F)CC1 ZINC000303035344 971468602 /nfs/dbraw/zinc/46/86/02/971468602.db2.gz OPSFTIJNISTCJR-UHFFFAOYSA-N 2 0 424.564 3.858 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303164422 971537363 /nfs/dbraw/zinc/53/73/63/971537363.db2.gz FRVZLOQCUUNFTR-FCHUYYIVSA-N 2 0 412.622 3.731 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520124 971821479 /nfs/dbraw/zinc/82/14/79/971821479.db2.gz YVVZSEKSURFMEE-GBXCKJPGSA-N 2 0 424.589 3.652 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000303785783 972026517 /nfs/dbraw/zinc/02/65/17/972026517.db2.gz DMAYZHJXCJSKLP-XUZZJYLKSA-N 2 0 408.590 3.904 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C[C@H](C)O1 ZINC000537661112 1013222084 /nfs/dbraw/zinc/22/20/84/1013222084.db2.gz MAWMZTZCSZEZCE-ROUUACIJSA-N 2 0 400.592 3.916 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000553293827 1013251350 /nfs/dbraw/zinc/25/13/50/1013251350.db2.gz LGIKBLRLFWEILO-DNVCBOLYSA-N 2 0 412.441 3.849 20 0 HHADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000542351640 1013309534 /nfs/dbraw/zinc/30/95/34/1013309534.db2.gz NSEBDMOLPDCPDX-UHFFFAOYSA-N 2 0 423.601 3.938 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553391354 1013322384 /nfs/dbraw/zinc/32/23/84/1013322384.db2.gz VEXPIPJBMAPCAX-QHCPKHFHSA-N 2 0 415.647 3.896 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000542395942 1013349734 /nfs/dbraw/zinc/34/97/34/1013349734.db2.gz DVQAMAWIIWICHA-DEOSSOPVSA-N 2 0 415.622 3.545 20 0 HHADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841943 1013403141 /nfs/dbraw/zinc/40/31/41/1013403141.db2.gz QCLPDMYEODLGFU-NRFANRHFSA-N 2 0 424.589 3.512 20 0 HHADRP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844241 1013407718 /nfs/dbraw/zinc/40/77/18/1013407718.db2.gz VXDOPKOCTQDGQJ-UHFFFAOYSA-N 2 0 414.981 3.980 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1)CN1CC[NH+](C)CC1 ZINC000542473316 1013421193 /nfs/dbraw/zinc/42/11/93/1013421193.db2.gz HNXVJYDVBKOJIG-DFBJGRDBSA-N 2 0 406.549 3.936 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000024668385 964044246 /nfs/dbraw/zinc/04/42/46/964044246.db2.gz JDQDIXWXUMPLCJ-HSZRJFAPSA-N 2 0 400.611 3.851 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1OC ZINC000048816611 964064963 /nfs/dbraw/zinc/06/49/63/964064963.db2.gz YXSDZKPMZXXQLV-QZTJIDSGSA-N 2 0 414.546 3.611 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531481 1013473945 /nfs/dbraw/zinc/47/39/45/1013473945.db2.gz KXYDJSZBGFJPMF-ZOBUZTSGSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531476 1013473976 /nfs/dbraw/zinc/47/39/76/1013473976.db2.gz KXYDJSZBGFJPMF-YQQAZPJKSA-N 2 0 401.378 3.976 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000049794923 964214563 /nfs/dbraw/zinc/21/45/63/964214563.db2.gz SGQISNDXCPMAGH-NRFANRHFSA-N 2 0 415.969 3.650 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137160 964274841 /nfs/dbraw/zinc/27/48/41/964274841.db2.gz INRDCHYKSJUYII-DYESRHJHSA-N 2 0 418.582 3.701 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137157 964275737 /nfs/dbraw/zinc/27/57/37/964275737.db2.gz INRDCHYKSJUYII-UWJYYQICSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902366 1013487008 /nfs/dbraw/zinc/48/70/08/1013487008.db2.gz QSIBUGYWCDVMKO-NRFANRHFSA-N 2 0 421.589 3.604 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000537918879 1013503676 /nfs/dbraw/zinc/50/36/76/1013503676.db2.gz TYFZVEZYTNNVON-HXUWFJFHSA-N 2 0 406.578 3.599 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)ccn1 ZINC000537937870 1013522661 /nfs/dbraw/zinc/52/26/61/1013522661.db2.gz CSPLFDBAORRBGP-GOSISDBHSA-N 2 0 420.351 3.788 20 0 HHADRP C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537940984 1013524623 /nfs/dbraw/zinc/52/46/23/1013524623.db2.gz DLTNTOSQZLUWGM-FOIQADDNSA-N 2 0 407.352 3.774 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)ccn1 ZINC000537942652 1013526732 /nfs/dbraw/zinc/52/67/32/1013526732.db2.gz KFJUCALICPQGJR-GOSISDBHSA-N 2 0 408.315 3.701 20 0 HHADRP CC(=O)Nc1ccc2c(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc(=O)oc2c1 ZINC000052713595 964960478 /nfs/dbraw/zinc/96/04/78/964960478.db2.gz XSHULTZZZHUQCU-UHFFFAOYSA-N 2 0 411.546 3.839 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2ccccc2n1 ZINC000537968331 1013545832 /nfs/dbraw/zinc/54/58/32/1013545832.db2.gz BGNLBQZMUDQGPQ-LJQANCHMSA-N 2 0 402.542 3.911 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537977187 1013552806 /nfs/dbraw/zinc/55/28/06/1013552806.db2.gz XIUTWSFMADKOPM-OXQOHEQNSA-N 2 0 401.938 3.737 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1F ZINC000553704147 1013558995 /nfs/dbraw/zinc/55/89/95/1013558995.db2.gz XGHVUIHOOAAOIT-RUZDIDTESA-N 2 0 424.564 3.695 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000537989286 1013563684 /nfs/dbraw/zinc/56/36/84/1013563684.db2.gz ALZXJSBTDDDEFU-PXDATVDWSA-N 2 0 401.554 3.897 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889444 965574338 /nfs/dbraw/zinc/57/43/38/965574338.db2.gz FUNRYFGAKMEPEU-UXHICEINSA-N 2 0 401.595 3.849 20 0 HHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513417 965712850 /nfs/dbraw/zinc/71/28/50/965712850.db2.gz KDHVXKOCGPJSMD-NRFANRHFSA-N 2 0 422.617 3.792 20 0 HHADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513390 965713356 /nfs/dbraw/zinc/71/33/56/965713356.db2.gz LWJMVIZYNMISGT-FGZHOGPDSA-N 2 0 422.617 3.792 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(OC)c1 ZINC000059951604 966045421 /nfs/dbraw/zinc/04/54/21/966045421.db2.gz JQHJMCZUVWFZAI-DNQXCXABSA-N 2 0 409.574 3.859 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000060534911 966194965 /nfs/dbraw/zinc/19/49/65/966194965.db2.gz RQAVFYGNFYQTQA-UHFFFAOYSA-N 2 0 407.002 3.820 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000060566580 966208820 /nfs/dbraw/zinc/20/88/20/966208820.db2.gz ACORSPLFTDBBRL-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000538058156 1013635129 /nfs/dbraw/zinc/63/51/29/1013635129.db2.gz RNJNRUKJNAVHMK-MSOLQXFVSA-N 2 0 401.576 3.559 20 0 HHADRP Cc1ccc([C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000060971861 966340337 /nfs/dbraw/zinc/34/03/37/966340337.db2.gz FGGKYYSUZSPABM-DEOSSOPVSA-N 2 0 421.589 3.705 20 0 HHADRP C[N@H+](CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000061501093 966482558 /nfs/dbraw/zinc/48/25/58/966482558.db2.gz HWENGWZSWFLAEC-UHFFFAOYSA-N 2 0 408.590 3.994 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000056845671 966490343 /nfs/dbraw/zinc/49/03/43/966490343.db2.gz LYZVWFPLPVMQED-UHFFFAOYSA-N 2 0 412.578 3.634 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061792486 966557089 /nfs/dbraw/zinc/55/70/89/966557089.db2.gz QUABEUHQTMRLOU-UHFFFAOYSA-N 2 0 404.624 3.520 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100480 1013669713 /nfs/dbraw/zinc/66/97/13/1013669713.db2.gz FQFYYDCYQOXPQB-VWNXMTODSA-N 2 0 409.574 3.879 20 0 HHADRP COc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000538102467 1013670490 /nfs/dbraw/zinc/67/04/90/1013670490.db2.gz LUPXATVTPVZZAX-XMMPIXPASA-N 2 0 423.605 3.909 20 0 HHADRP CCc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441676 966858847 /nfs/dbraw/zinc/85/88/47/966858847.db2.gz WUQBKIJNQXDLRI-UHFFFAOYSA-O 2 0 422.574 3.905 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000043238807 966934338 /nfs/dbraw/zinc/93/43/38/966934338.db2.gz YPANLCNQQZNQCU-DEOSSOPVSA-N 2 0 406.574 3.533 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)([NH+](C)C)C1 ZINC000064244454 967104094 /nfs/dbraw/zinc/10/40/94/967104094.db2.gz BZXKLIFRIWRISE-PGRDOPGGSA-N 2 0 406.640 3.770 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1F ZINC000538141008 1013702324 /nfs/dbraw/zinc/70/23/24/1013702324.db2.gz HFCXIZVCUBBZIU-IBGZPJMESA-N 2 0 413.537 3.528 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)C1 ZINC000542844330 1013704137 /nfs/dbraw/zinc/70/41/37/1013704137.db2.gz RIBXIMPOQWCISN-UGKGYDQZSA-N 2 0 411.521 3.527 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542845523 1013705186 /nfs/dbraw/zinc/70/51/86/1013705186.db2.gz AZDGBEVDUDQUDO-KKSFZXQISA-N 2 0 408.571 3.931 20 0 HHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000542847368 1013706239 /nfs/dbraw/zinc/70/62/39/1013706239.db2.gz QBNGGGUCTDDRQI-SFTDATJTSA-N 2 0 408.464 3.749 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000065468512 967482489 /nfs/dbraw/zinc/48/24/89/967482489.db2.gz PKOKBVWTAZTDSD-QFIPXVFZSA-N 2 0 400.542 3.510 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000065481897 967489963 /nfs/dbraw/zinc/48/99/63/967489963.db2.gz XISGDBUUNPCENN-OAQYLSRUSA-N 2 0 416.541 3.765 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065523748 967506578 /nfs/dbraw/zinc/50/65/78/967506578.db2.gz BDSYSGWLMOMMGS-RTBURBONSA-N 2 0 418.601 3.846 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000045975915 967614245 /nfs/dbraw/zinc/61/42/45/967614245.db2.gz VCTDHGMQDHKIDR-HXUWFJFHSA-N 2 0 401.599 3.523 20 0 HHADRP O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226330 1013775667 /nfs/dbraw/zinc/77/56/67/1013775667.db2.gz PQAJTLSASWUTKG-ILBGXUMGSA-N 2 0 421.585 3.656 20 0 HHADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000554071682 1013785075 /nfs/dbraw/zinc/78/50/75/1013785075.db2.gz MHKBNQAJLGIIAS-AZUAARDMSA-N 2 0 400.485 3.757 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000047871618 968348348 /nfs/dbraw/zinc/34/83/48/968348348.db2.gz WFEBWWXBJNWYGC-RBUKOAKNSA-N 2 0 404.580 3.860 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000047871616 968348419 /nfs/dbraw/zinc/34/84/19/968348419.db2.gz WFEBWWXBJNWYGC-MOPGFXCFSA-N 2 0 404.580 3.860 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000047978742 968381511 /nfs/dbraw/zinc/38/15/11/968381511.db2.gz LDHAYCBTBDNNIZ-UHFFFAOYSA-N 2 0 414.363 3.971 20 0 HHADRP COc1cccc([C@@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268514 1013809107 /nfs/dbraw/zinc/80/91/07/1013809107.db2.gz IODNNQOGFIDZOH-DHIUTWEWSA-N 2 0 409.574 3.876 20 0 HHADRP COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027249 968941165 /nfs/dbraw/zinc/94/11/65/968941165.db2.gz IHDQCJOQJJARHA-RPWUZVMVSA-N 2 0 407.558 3.613 20 0 HHADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027243 968941189 /nfs/dbraw/zinc/94/11/89/968941189.db2.gz FSFAXUWLRUKWRH-DNQXCXABSA-N 2 0 407.558 3.613 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072036001 968947484 /nfs/dbraw/zinc/94/74/84/968947484.db2.gz JDFLWRGIIBNSTG-UHFFFAOYSA-N 2 0 420.601 3.862 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000108436997 969383758 /nfs/dbraw/zinc/38/37/58/969383758.db2.gz CSUDCDURKTZFMX-NRFANRHFSA-N 2 0 416.541 3.719 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109312945 969496148 /nfs/dbraw/zinc/49/61/48/969496148.db2.gz UMPXOTJIEZKHLC-RUZDIDTESA-N 2 0 420.601 3.816 20 0 HHADRP c1ccc2c(c1)nc(NC1CC[NH+](C3CC3)CC1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000110891595 969735829 /nfs/dbraw/zinc/73/58/29/969735829.db2.gz MLFIXCQFUHQIAX-UHFFFAOYSA-N 2 0 406.578 3.707 20 0 HHADRP O=C(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000110987772 969754853 /nfs/dbraw/zinc/75/48/53/969754853.db2.gz BJVYCKQGNVEQFG-UHFFFAOYSA-N 2 0 414.377 3.756 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000111041762 969765118 /nfs/dbraw/zinc/76/51/18/969765118.db2.gz RYZFHBYFKMSZLM-RUZDIDTESA-N 2 0 422.617 3.523 20 0 HHADRP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891149 /nfs/dbraw/zinc/89/11/49/969891149.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 2 0 420.601 3.978 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000116544981 969903466 /nfs/dbraw/zinc/90/34/66/969903466.db2.gz IBUNCRGGRKHLBS-QFIPXVFZSA-N 2 0 407.583 3.860 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702063 969967675 /nfs/dbraw/zinc/96/76/75/969967675.db2.gz HKTFANUMOZTRRK-XZOQPEGZSA-N 2 0 419.569 3.755 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000195746429 969997880 /nfs/dbraw/zinc/99/78/80/969997880.db2.gz SALDQYMLCWXCDR-ZEQRLZLVSA-N 2 0 408.590 3.604 20 0 HHADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000554451171 1013954594 /nfs/dbraw/zinc/95/45/94/1013954594.db2.gz BRMZGOPGHCSNAC-GBXCKJPGSA-N 2 0 406.574 3.613 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236702507 970158713 /nfs/dbraw/zinc/15/87/13/970158713.db2.gz SOCHJTKONFZYLH-JOCHJYFZSA-N 2 0 418.029 3.813 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236718457 970162533 /nfs/dbraw/zinc/16/25/33/970162533.db2.gz HIHKWAUJKDYSMA-UHFFFAOYSA-N 2 0 405.586 3.856 20 0 HHADRP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237104141 970222917 /nfs/dbraw/zinc/22/29/17/970222917.db2.gz DIUBGCRQEZQIHI-NRFANRHFSA-N 2 0 417.601 3.827 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000237171924 970235052 /nfs/dbraw/zinc/23/50/52/970235052.db2.gz JCXAHVPMYZMFIL-UHFFFAOYSA-N 2 0 404.002 3.568 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000237233643 970245537 /nfs/dbraw/zinc/24/55/37/970245537.db2.gz TXRDLLJWVJADAF-UHFFFAOYSA-N 2 0 420.479 3.705 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=S)NCC[NH+](C)C ZINC000145847559 970274135 /nfs/dbraw/zinc/27/41/35/970274135.db2.gz PKZRIIABIRJQBB-UHFFFAOYSA-N 2 0 405.439 3.573 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237403839 970278681 /nfs/dbraw/zinc/27/86/81/970278681.db2.gz DHSBGPNLOTWWOP-HZPDHXFCSA-N 2 0 406.521 3.746 20 0 HHADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)NCC[NH+](C)C)[NH+](C)C ZINC000146155039 970281558 /nfs/dbraw/zinc/28/15/58/970281558.db2.gz KSVMIAQKSSSSNV-SFHVURJKSA-N 2 0 419.466 3.818 20 0 HHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000237421729 970282606 /nfs/dbraw/zinc/28/26/06/970282606.db2.gz FLBXNBSFESNNAL-NRFANRHFSA-N 2 0 417.601 3.821 20 0 HHADRP COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000237421769 970282635 /nfs/dbraw/zinc/28/26/35/970282635.db2.gz VMDXGXURQVHIFR-QHCPKHFHSA-N 2 0 411.590 3.732 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000237420888 970282640 /nfs/dbraw/zinc/28/26/40/970282640.db2.gz IXYJABIFPQYJTQ-IBGZPJMESA-N 2 0 423.992 3.918 20 0 HHADRP COc1cccc(N2CC[C@H](C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000237518774 970306762 /nfs/dbraw/zinc/30/67/62/970306762.db2.gz WPKVMFIYHIBANW-OAQYLSRUSA-N 2 0 422.617 3.842 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000237571090 970314922 /nfs/dbraw/zinc/31/49/22/970314922.db2.gz CSZVAXBXWNMRIK-NHCUHLMSSA-N 2 0 419.573 3.913 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000237587659 970317883 /nfs/dbraw/zinc/31/78/83/970317883.db2.gz YDTFMTZZGSJQMY-JOCHJYFZSA-N 2 0 417.601 3.572 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000147169616 970320882 /nfs/dbraw/zinc/32/08/82/970320882.db2.gz QWTXEUKGNLTCMG-HXUWFJFHSA-N 2 0 400.592 3.562 20 0 HHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237665124 970334507 /nfs/dbraw/zinc/33/45/07/970334507.db2.gz OOFFECHUIOYXHN-JOCHJYFZSA-N 2 0 417.601 3.632 20 0 HHADRP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000554583013 1013982369 /nfs/dbraw/zinc/98/23/69/1013982369.db2.gz PTOIVJGDOPUFLM-WOJBJXKFSA-N 2 0 400.611 3.696 20 0 HHADRP Fc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000237913026 970393286 /nfs/dbraw/zinc/39/32/86/970393286.db2.gz YHEUUPWPDSGWPB-UHFFFAOYSA-N 2 0 421.564 3.903 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC3CCCC3)c2)C1 ZINC000237939482 970399514 /nfs/dbraw/zinc/39/95/14/970399514.db2.gz YNAXJTKKWCOROX-QHCPKHFHSA-N 2 0 421.585 3.995 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379354 970636527 /nfs/dbraw/zinc/63/65/27/970636527.db2.gz BOZGEHAUQQVGHU-KRWDZBQOSA-N 2 0 422.639 3.529 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000409531873 972987327 /nfs/dbraw/zinc/98/73/27/972987327.db2.gz CVVNERTVIOYYDJ-RUZDIDTESA-N 2 0 420.601 3.542 20 0 HHADRP C[NH+](C)CCN1CCC(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000410317654 973862683 /nfs/dbraw/zinc/86/26/83/973862683.db2.gz MHZCOLOTIWTVLS-UHFFFAOYSA-N 2 0 415.626 3.599 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000410392799 973991042 /nfs/dbraw/zinc/99/10/42/973991042.db2.gz MCEPPAXOFCUVEH-FQEVSTJZSA-N 2 0 408.590 3.980 20 0 HHADRP CC[N@H+](CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)CCC(F)(F)F ZINC000425973625 974080003 /nfs/dbraw/zinc/08/00/03/974080003.db2.gz KGYPJAQVXBSAIA-UHFFFAOYSA-N 2 0 406.537 3.603 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000426055439 974177942 /nfs/dbraw/zinc/17/79/42/974177942.db2.gz RFELYBYDOCZKKR-INIZCTEOSA-N 2 0 401.020 3.694 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000426120442 974243925 /nfs/dbraw/zinc/24/39/25/974243925.db2.gz QXVJJZOOOXBYRX-GOSISDBHSA-N 2 0 424.511 3.692 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000426142858 974263217 /nfs/dbraw/zinc/26/32/17/974263217.db2.gz WPDCFFGKZFDHLN-CTNGQTDRSA-N 2 0 402.583 3.888 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000426409402 974436314 /nfs/dbraw/zinc/43/63/14/974436314.db2.gz GZDUNDIDQGACIJ-NFBKMPQASA-N 2 0 411.590 3.690 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000426770013 974647099 /nfs/dbraw/zinc/64/70/99/974647099.db2.gz NXSGZFCTMUPATQ-IAGOWNOFSA-N 2 0 409.521 3.505 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426793891 974665229 /nfs/dbraw/zinc/66/52/29/974665229.db2.gz PQMIAEVAQAXLCV-YSTOQKLRSA-N 2 0 419.585 3.603 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000428112775 975444774 /nfs/dbraw/zinc/44/47/74/975444774.db2.gz AYXKYIXLKFJTAO-HXUWFJFHSA-N 2 0 404.624 3.695 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4cccnc4N4CCOCC4)[C@H]3C2)cc1 ZINC000428245034 975562368 /nfs/dbraw/zinc/56/23/68/975562368.db2.gz ZYXHSPIMQQKUSE-SDHOMARFSA-N 2 0 420.601 3.699 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000428556416 975868913 /nfs/dbraw/zinc/86/89/13/975868913.db2.gz FUPLXLKOBGNQNX-ILBGXUMGSA-N 2 0 411.565 3.612 20 0 HHADRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000428753115 976026676 /nfs/dbraw/zinc/02/66/76/976026676.db2.gz MDWVWKDXYQRGLK-YZUZCNPQSA-N 2 0 408.590 3.859 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429022792 976304579 /nfs/dbraw/zinc/30/45/79/976304579.db2.gz AACAXYBYUJGEER-UTKZUKDTSA-N 2 0 422.976 3.646 20 0 HHADRP C[C@@H]1CN(C2CCC2)CC[N@@H+](CCCCCN2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000429356183 976622637 /nfs/dbraw/zinc/62/26/37/976622637.db2.gz UEAILBCPEGTHFZ-GOTSBHOMSA-N 2 0 404.687 3.769 20 0 HHADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490289 976748299 /nfs/dbraw/zinc/74/82/99/976748299.db2.gz LOTFBKHMAZGSLN-NFBKMPQASA-N 2 0 412.622 3.587 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000429495473 976753004 /nfs/dbraw/zinc/75/30/04/976753004.db2.gz WGWKQMNTWNGMAN-FGZHOGPDSA-N 2 0 422.658 3.564 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754218 /nfs/dbraw/zinc/75/42/18/976754218.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 2 0 414.638 3.974 20 0 HHADRP COC(=O)c1ccccc1CC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000430182862 977376190 /nfs/dbraw/zinc/37/61/90/977376190.db2.gz XMIPNHIZMCHOAI-UHFFFAOYSA-N 2 0 404.514 3.817 20 0 HHADRP CCc1cccc(C)c1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430947157 977907898 /nfs/dbraw/zinc/90/78/98/977907898.db2.gz ZMBHPUZJPLIFIY-UHFFFAOYSA-N 2 0 414.638 3.624 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431069826 978001326 /nfs/dbraw/zinc/00/13/26/978001326.db2.gz IAGCYXMZACYZRR-UHFFFAOYSA-N 2 0 415.626 3.626 20 0 HHADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431097751 978017227 /nfs/dbraw/zinc/01/72/27/978017227.db2.gz DUGPEHFSWMOQAK-OAQYLSRUSA-N 2 0 416.614 3.624 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000431647209 978406711 /nfs/dbraw/zinc/40/67/11/978406711.db2.gz HICPFGOUUKPVHK-UHFFFAOYSA-N 2 0 418.601 3.847 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000431653204 978412483 /nfs/dbraw/zinc/41/24/83/978412483.db2.gz ZCVODHFMHHNRBL-UHFFFAOYSA-N 2 0 404.599 3.644 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431676752 978429919 /nfs/dbraw/zinc/42/99/19/978429919.db2.gz AIMYUDKFQAZJCS-HUVFLSCGSA-N 2 0 408.590 3.512 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000431691680 978438689 /nfs/dbraw/zinc/43/86/89/978438689.db2.gz LRCVUEKGLXFFDU-KNQAVFIVSA-N 2 0 412.578 3.714 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431699932 978444318 /nfs/dbraw/zinc/44/43/18/978444318.db2.gz SXTDTZPFAJKYJG-REWPJTCUSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCCC[C@H]1C ZINC000431808930 978529201 /nfs/dbraw/zinc/52/92/01/978529201.db2.gz LISXFNKGBKAMRT-FGZHOGPDSA-N 2 0 412.622 3.947 20 0 HHADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432836230 978987926 /nfs/dbraw/zinc/98/79/26/978987926.db2.gz SVGWZANJNQXWJS-OAQYLSRUSA-N 2 0 423.601 3.647 20 0 HHADRP COc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855814 978993314 /nfs/dbraw/zinc/99/33/14/978993314.db2.gz TVIFSMSULSFFOY-ROUUACIJSA-N 2 0 410.566 3.548 20 0 HHADRP C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCCC1)c1ccccc1 ZINC000433010447 979041195 /nfs/dbraw/zinc/04/11/95/979041195.db2.gz KOGQPAJKFLEFLF-LJQANCHMSA-N 2 0 415.603 3.690 20 0 HHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000433373820 979261681 /nfs/dbraw/zinc/26/16/81/979261681.db2.gz LCXIGFJUDFBPRY-UHFFFAOYSA-N 2 0 405.546 3.734 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)N1CC[NH+](C)CC1 ZINC000433395616 979274163 /nfs/dbraw/zinc/27/41/63/979274163.db2.gz AUYKDJDPPUAQGX-RRPUWOKSSA-N 2 0 421.601 3.696 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000433959011 979716082 /nfs/dbraw/zinc/71/60/82/979716082.db2.gz RQLCQPKPVMVVDW-NRFANRHFSA-N 2 0 404.986 3.621 20 0 HHADRP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435092858 980633214 /nfs/dbraw/zinc/63/32/14/980633214.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 2 0 424.593 3.634 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000435782203 981029193 /nfs/dbraw/zinc/02/91/93/981029193.db2.gz NKXHUGKFZHKIBX-XMMPIXPASA-N 2 0 402.542 3.706 20 0 HHADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000436311250 981291770 /nfs/dbraw/zinc/29/17/70/981291770.db2.gz SDMSBRNPZZMMMY-STZQEDGTSA-N 2 0 415.603 3.513 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212838 981626864 /nfs/dbraw/zinc/62/68/64/981626864.db2.gz MEQYXFXDBNBHBM-JQVVWYNYSA-N 2 0 416.635 3.618 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222945 981637509 /nfs/dbraw/zinc/63/75/09/981637509.db2.gz AUVBMMRQHOIHNX-OAQYLSRUSA-N 2 0 415.626 3.626 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448372771 981731555 /nfs/dbraw/zinc/73/15/55/981731555.db2.gz HJKLAKOZFNWZGG-DENIHFKCSA-N 2 0 414.594 3.888 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448461670 981795702 /nfs/dbraw/zinc/79/57/02/981795702.db2.gz NCHDRFHOITUJEY-OIBXWCBGSA-N 2 0 416.610 3.594 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000448468205 981805131 /nfs/dbraw/zinc/80/51/31/981805131.db2.gz UQFIZKOPMBOCRY-DYXWJJEUSA-N 2 0 406.640 3.798 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473813 981815517 /nfs/dbraw/zinc/81/55/17/981815517.db2.gz UHTIRLUXANJSRS-JSRBNTPPSA-N 2 0 414.638 3.810 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853476 /nfs/dbraw/zinc/85/34/76/981853476.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 2 0 414.638 3.831 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000460143489 981915552 /nfs/dbraw/zinc/91/55/52/981915552.db2.gz OUFAOHZLEGOQGG-RJGXRXQPSA-N 2 0 424.589 3.826 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000460164586 981936964 /nfs/dbraw/zinc/93/69/64/981936964.db2.gz DFVVDWPBRIZZFH-DNQXCXABSA-N 2 0 412.622 3.662 20 0 HHADRP CSC1(CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC000460359538 982134283 /nfs/dbraw/zinc/13/42/83/982134283.db2.gz CAJBGYOKEJSELU-PZJWPPBQSA-N 2 0 420.667 3.879 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CCCC2)CC1 ZINC000437700049 982304728 /nfs/dbraw/zinc/30/47/28/982304728.db2.gz MJOYWKMLCUWYBO-NRFANRHFSA-N 2 0 420.642 3.506 20 0 HHADRP C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437787960 982357458 /nfs/dbraw/zinc/35/74/58/982357458.db2.gz SHPZVOPZHAKUCY-NQAMIAIDSA-N 2 0 409.574 3.836 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000437940166 982474224 /nfs/dbraw/zinc/47/42/24/982474224.db2.gz FFAJBWQKOQIJOT-UHFFFAOYSA-N 2 0 424.589 3.798 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000438089554 982582211 /nfs/dbraw/zinc/58/22/11/982582211.db2.gz WAYHQIZSURSUOZ-GOSISDBHSA-N 2 0 412.578 3.585 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000438117393 982596440 /nfs/dbraw/zinc/59/64/40/982596440.db2.gz LQCAJOSNBHHSOS-UHFFFAOYSA-N 2 0 424.589 3.551 20 0 HHADRP CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000438224861 982662495 /nfs/dbraw/zinc/66/24/95/982662495.db2.gz QSSMEJMOZPSAFQ-IBGZPJMESA-N 2 0 417.598 3.613 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438482352 982829210 /nfs/dbraw/zinc/82/92/10/982829210.db2.gz YBCVXSSISGOXMZ-HFZDXXHNSA-N 2 0 405.586 3.819 20 0 HHADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461209932 982923394 /nfs/dbraw/zinc/92/33/94/982923394.db2.gz CKFKKXNVYFYDHO-MNPDLOSFSA-N 2 0 420.601 3.841 20 0 HHADRP C[NH+](C)CCn1ncc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC000438774280 983062732 /nfs/dbraw/zinc/06/27/32/983062732.db2.gz RDKZPRNHEVQTMD-UHFFFAOYSA-N 2 0 417.557 3.960 20 0 HHADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443378 983107905 /nfs/dbraw/zinc/10/79/05/983107905.db2.gz ARPUYQCAOHWZDA-CYXNTTPDSA-N 2 0 417.597 3.879 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842792 983110570 /nfs/dbraw/zinc/11/05/70/983110570.db2.gz SVJDIPHVPHNQKO-YKSBVNFPSA-N 2 0 421.589 3.571 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461454173 983120388 /nfs/dbraw/zinc/12/03/88/983120388.db2.gz GMTWVMDEMMYLDM-CBRSEMLDSA-N 2 0 417.597 3.735 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000438962115 983180234 /nfs/dbraw/zinc/18/02/34/983180234.db2.gz BVWUBMUCGGNZOH-IBGZPJMESA-N 2 0 401.599 3.561 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970119 983186162 /nfs/dbraw/zinc/18/61/62/983186162.db2.gz UOIQFTMXMNJELS-NFBKMPQASA-N 2 0 415.626 3.663 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970129 983186209 /nfs/dbraw/zinc/18/62/09/983186209.db2.gz UOIQFTMXMNJELS-REWPJTCUSA-N 2 0 415.626 3.663 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439132643 983266392 /nfs/dbraw/zinc/26/63/92/983266392.db2.gz HOQGLOLEKHFJIF-SFHVURJKSA-N 2 0 400.430 3.969 20 0 HHADRP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000439609209 983469878 /nfs/dbraw/zinc/46/98/78/983469878.db2.gz FTILNYHGALIRQP-GOSISDBHSA-N 2 0 409.534 3.806 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000440170402 983668206 /nfs/dbraw/zinc/66/82/06/983668206.db2.gz BKULYKZQMHZGRE-HXUWFJFHSA-N 2 0 413.610 3.515 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000440179513 983671477 /nfs/dbraw/zinc/67/14/77/983671477.db2.gz PCOJWPMVMYZISV-GOTSBHOMSA-N 2 0 415.626 3.588 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH+]1CC(C)C ZINC000440179512 983671586 /nfs/dbraw/zinc/67/15/86/983671586.db2.gz PCOJWPMVMYZISV-DHIUTWEWSA-N 2 0 415.626 3.588 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440194754 983678311 /nfs/dbraw/zinc/67/83/11/983678311.db2.gz ZYFDRENPJFOWMU-HSZRJFAPSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000440827774 983925776 /nfs/dbraw/zinc/92/57/76/983925776.db2.gz AHFZQMAPNZSPQP-YGWXTMFKSA-N 2 0 400.611 3.838 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441335767 984192005 /nfs/dbraw/zinc/19/20/05/984192005.db2.gz QZCMEOYLVJBAND-UHFFFAOYSA-N 2 0 403.574 3.655 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1(C)C ZINC000441345898 984198851 /nfs/dbraw/zinc/19/88/51/984198851.db2.gz LXEKSISYXJCTKS-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1(C)C ZINC000441382207 984221206 /nfs/dbraw/zinc/22/12/06/984221206.db2.gz KFCLALXLVUIPLK-UHFFFAOYSA-N 2 0 406.368 3.825 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000441399860 984231325 /nfs/dbraw/zinc/23/13/25/984231325.db2.gz KBCXGCFNFBSWQZ-UHFFFAOYSA-N 2 0 410.027 3.886 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441528795 984305550 /nfs/dbraw/zinc/30/55/50/984305550.db2.gz ZFKMEIIOZRDNCW-KOENEWCDSA-N 2 0 400.611 3.660 20 0 HHADRP CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)[NH+](CC)CC ZINC000461641214 984662970 /nfs/dbraw/zinc/66/29/70/984662970.db2.gz HLFDKVAUSQDENJ-GOSISDBHSA-N 2 0 400.489 3.516 20 0 HHADRP CCC[NH+]1CCC(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000461798914 984785899 /nfs/dbraw/zinc/78/58/99/984785899.db2.gz UTNZHYYEQJYPQS-UHFFFAOYSA-N 2 0 406.618 3.973 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462117533 985086483 /nfs/dbraw/zinc/08/64/83/985086483.db2.gz BSVLXPSZLYXBQE-FQEVSTJZSA-N 2 0 415.572 3.982 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000462126108 985096228 /nfs/dbraw/zinc/09/62/28/985096228.db2.gz MTTIHNXRYHMDSI-TZIWHRDSSA-N 2 0 400.592 3.692 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000462540824 985488439 /nfs/dbraw/zinc/48/84/39/985488439.db2.gz ZCPCFYSQRPMXKV-ZEQKJWHPSA-N 2 0 418.585 3.717 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462748612 985689990 /nfs/dbraw/zinc/68/99/90/985689990.db2.gz DQHHADQFIUWBCA-ZEQRLZLVSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044544 985703568 /nfs/dbraw/zinc/70/35/68/985703568.db2.gz JHICHVRCRIEISF-UZLBHIALSA-N 2 0 421.632 3.706 20 0 HHADRP COCC(=O)N1CCC([NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462801082 985734231 /nfs/dbraw/zinc/73/42/31/985734231.db2.gz FNPJRDUZEDKIMA-QHCPKHFHSA-N 2 0 419.585 3.606 20 0 HHADRP COCC(=O)N1CCC([NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462801081 985734437 /nfs/dbraw/zinc/73/44/37/985734437.db2.gz FNPJRDUZEDKIMA-HSZRJFAPSA-N 2 0 419.585 3.606 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803058 985735001 /nfs/dbraw/zinc/73/50/01/985735001.db2.gz PRRDGGWWWISUIZ-XUZZJYLKSA-N 3 0 404.618 3.604 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824452 985748033 /nfs/dbraw/zinc/74/80/33/985748033.db2.gz YPXCXCLKIDAFAK-DENIHFKCSA-N 2 0 410.599 3.793 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443610695 985789569 /nfs/dbraw/zinc/78/95/69/985789569.db2.gz ZPFYHWBNGRXOBP-VQTJNVASSA-N 2 0 401.595 3.849 20 0 HHADRP FC(F)(F)c1ccnc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000463236483 986204545 /nfs/dbraw/zinc/20/45/45/986204545.db2.gz RJJACMOFPVDMHU-AYHJJNSGSA-N 2 0 405.468 3.693 20 0 HHADRP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000468509832 986210680 /nfs/dbraw/zinc/21/06/80/986210680.db2.gz IIVXHBQNCGPFQK-UNMCSNQZSA-N 2 0 407.606 3.935 20 0 HHADRP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000468509828 986210817 /nfs/dbraw/zinc/21/08/17/986210817.db2.gz IIVXHBQNCGPFQK-IRLDBZIGSA-N 2 0 407.606 3.935 20 0 HHADRP COC(=O)CCC[NH+]1CCC(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000463294099 986261510 /nfs/dbraw/zinc/26/15/10/986261510.db2.gz QDXDWENYMJEWLQ-HXUWFJFHSA-N 2 0 407.624 3.528 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000468861416 986570584 /nfs/dbraw/zinc/57/05/84/986570584.db2.gz FEKJRAIMNHDMHK-YESZJQIVSA-N 2 0 405.384 3.780 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cc2)CC1 ZINC000468941808 986646225 /nfs/dbraw/zinc/64/62/25/986646225.db2.gz KZDSEPKNRMCUSA-UHFFFAOYSA-N 2 0 408.590 3.599 20 0 HHADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870903 /nfs/dbraw/zinc/87/09/03/986870903.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 2 0 410.606 3.701 20 0 HHADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000444797136 986952498 /nfs/dbraw/zinc/95/24/98/986952498.db2.gz CJYGGVUJZRWBMW-IBGZPJMESA-N 2 0 416.610 3.760 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469278886 986998036 /nfs/dbraw/zinc/99/80/36/986998036.db2.gz VFQYJCPTJAIKLD-LJQANCHMSA-N 2 0 414.516 3.653 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000469425934 987114255 /nfs/dbraw/zinc/11/42/55/987114255.db2.gz IBWVYYQFANHGRT-DHIUTWEWSA-N 2 0 400.611 3.516 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000469756818 987409649 /nfs/dbraw/zinc/40/96/49/987409649.db2.gz IJYMTCSUVGDFMC-KSPVPNAGSA-N 2 0 402.966 3.826 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000469865993 987503200 /nfs/dbraw/zinc/50/32/00/987503200.db2.gz WZEJVQFULNHJCP-OFNKIYASSA-N 2 0 409.578 3.908 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000463964082 988077010 /nfs/dbraw/zinc/07/70/10/988077010.db2.gz LIGDJGSKVGUUJB-FGZHOGPDSA-N 2 0 410.562 3.580 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000470229109 988162386 /nfs/dbraw/zinc/16/23/86/988162386.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 2 0 423.523 3.631 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1cccc(C(F)(F)F)c1 ZINC000470273261 988225604 /nfs/dbraw/zinc/22/56/04/988225604.db2.gz LHYVKMFLWPUDIK-GOSISDBHSA-N 2 0 412.500 3.578 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470286081 988242618 /nfs/dbraw/zinc/24/26/18/988242618.db2.gz BMKTTZBUOAKUPB-RTBURBONSA-N 2 0 412.500 3.578 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288078 988245850 /nfs/dbraw/zinc/24/58/50/988245850.db2.gz RSUOWORFSLYXLP-GOTSBHOMSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000470289027 988246536 /nfs/dbraw/zinc/24/65/36/988246536.db2.gz LBSHOIYINTVWQW-VJBWXMMDSA-N 2 0 400.611 3.800 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721049 988746555 /nfs/dbraw/zinc/74/65/55/988746555.db2.gz BDWZCJWPTSWYRZ-FCHUYYIVSA-N 2 0 412.578 3.969 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721910 988747957 /nfs/dbraw/zinc/74/79/57/988747957.db2.gz DKPGWNBOOJNERT-BJKOFHAPSA-N 2 0 408.590 3.904 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735566 988769962 /nfs/dbraw/zinc/76/99/62/988769962.db2.gz CEDQSJRHVMYMDN-IRLDBZIGSA-N 2 0 412.622 3.792 20 0 HHADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770201 988993654 /nfs/dbraw/zinc/99/36/54/988993654.db2.gz FQXIFGZWVGPEQK-FCHUYYIVSA-N 2 0 403.636 3.682 20 0 HHADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770202 988993893 /nfs/dbraw/zinc/99/38/93/988993893.db2.gz FQXIFGZWVGPEQK-FGZHOGPDSA-N 2 0 403.636 3.682 20 0 HHADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464772581 988996973 /nfs/dbraw/zinc/99/69/73/988996973.db2.gz HUGTZBWGKGENMU-VQTJNVASSA-N 2 0 407.649 3.780 20 0 HHADRP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007017 989074927 /nfs/dbraw/zinc/07/49/27/989074927.db2.gz LOTDMNXHHAXPJB-CONSUNNSSA-N 2 0 406.570 3.505 20 0 HHADRP C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845011 989095198 /nfs/dbraw/zinc/09/51/98/989095198.db2.gz CYGBOULSMOBEQE-TZIWHRDSSA-N 2 0 422.491 3.899 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000464940673 989229219 /nfs/dbraw/zinc/22/92/19/989229219.db2.gz DJXMBGRUULCJAK-FQEVSTJZSA-N 2 0 421.029 3.829 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018045 989337599 /nfs/dbraw/zinc/33/75/99/989337599.db2.gz ZAECHPBYZIEAFM-NQIIRXRSSA-N 2 0 407.002 3.754 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000471374831 989551125 /nfs/dbraw/zinc/55/11/25/989551125.db2.gz SYLKRQBPHVAUMP-MXKPZRPRSA-N 2 0 414.619 3.807 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000471377700 989554675 /nfs/dbraw/zinc/55/46/75/989554675.db2.gz YCUKRTBFZUNBCV-KCZVDYSFSA-N 2 0 424.589 3.872 20 0 HHADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000471404997 989582683 /nfs/dbraw/zinc/58/26/83/989582683.db2.gz VXAYHGPMBUBYDV-UHFFFAOYSA-N 2 0 411.977 3.869 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474774 989671019 /nfs/dbraw/zinc/67/10/19/989671019.db2.gz GZXFBGCGFQZDPG-GVAUOCQISA-N 2 0 418.585 3.597 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471496056 989693853 /nfs/dbraw/zinc/69/38/53/989693853.db2.gz KONGDWHMWJCOOW-LADGPHEKSA-N 2 0 406.574 3.645 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471530993 989730184 /nfs/dbraw/zinc/73/01/84/989730184.db2.gz ZSFNNHKXADWIPL-RUZDIDTESA-N 2 0 420.601 3.994 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777974 /nfs/dbraw/zinc/77/79/74/989777974.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 2 0 412.603 3.705 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437960 989783092 /nfs/dbraw/zinc/78/30/92/989783092.db2.gz XACKPONPLOXPHB-RDPSFJRHSA-N 2 0 424.589 3.604 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471612268 989816895 /nfs/dbraw/zinc/81/68/95/989816895.db2.gz MTPLPPSEEHAOJF-JOCHJYFZSA-N 2 0 408.590 3.848 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502881 989851902 /nfs/dbraw/zinc/85/19/02/989851902.db2.gz RVMNAZMMRNDSKI-GIWBLDEGSA-N 2 0 416.610 3.735 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465524806 989881331 /nfs/dbraw/zinc/88/13/31/989881331.db2.gz DGKPYSQZSGIPED-ZCYQVOJMSA-N 2 0 420.601 3.987 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465532382 989892282 /nfs/dbraw/zinc/89/22/82/989892282.db2.gz FGMLYTZTANGUAP-SBHAEUEKSA-N 2 0 406.640 3.941 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555707 989919098 /nfs/dbraw/zinc/91/90/98/989919098.db2.gz YTUMEWAKMNNPCI-NFBKMPQASA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000465558290 989923116 /nfs/dbraw/zinc/92/31/16/989923116.db2.gz OJSHDXLCLWFLLM-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000465568390 989936633 /nfs/dbraw/zinc/93/66/33/989936633.db2.gz KJSGVEWUTAGXKW-SFTDATJTSA-N 2 0 400.611 3.934 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 ZINC000465604454 989986705 /nfs/dbraw/zinc/98/67/05/989986705.db2.gz RMNLUIGMJBCDOY-UHFFFAOYSA-N 2 0 412.578 3.833 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613870 989999479 /nfs/dbraw/zinc/99/94/79/989999479.db2.gz ZRZHCCYOOYCPDA-FYYLOGMGSA-N 2 0 400.611 3.662 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465624844 990010030 /nfs/dbraw/zinc/01/00/30/990010030.db2.gz GWNAUPCQJOOGMS-IBGZPJMESA-N 2 0 407.002 3.678 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1csc2ccccc12 ZINC000465637420 990023969 /nfs/dbraw/zinc/02/39/69/990023969.db2.gz MLFMMEUUDZOLPL-IBGZPJMESA-N 2 0 402.608 3.501 20 0 HHADRP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689192 990074369 /nfs/dbraw/zinc/07/43/69/990074369.db2.gz GRSYZEOBADOTTQ-GGAORHGYSA-N 2 0 420.601 3.597 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465700457 990087054 /nfs/dbraw/zinc/08/70/54/990087054.db2.gz YGIFPGBONAUUQT-WMZHIEFXSA-N 2 0 412.553 3.734 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713086 990097725 /nfs/dbraw/zinc/09/77/25/990097725.db2.gz BBRVDDVTAMUCNE-ATZDWAIDSA-N 2 0 414.516 3.870 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724756 990110323 /nfs/dbraw/zinc/11/03/23/990110323.db2.gz NZLLDKUGJTYJQT-BKULYWANSA-N 2 0 400.611 3.660 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccccc3CC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000471962828 990128842 /nfs/dbraw/zinc/12/88/42/990128842.db2.gz FLICYGLEHYLMIJ-ZEQRLZLVSA-N 2 0 422.573 3.899 20 0 HHADRP C[C@@H](CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009283 990177499 /nfs/dbraw/zinc/17/74/99/990177499.db2.gz MUTWESHYINPMMX-XUZZJYLKSA-N 2 0 408.590 3.718 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC2(C1)CCCCCC2 ZINC000465821771 990205353 /nfs/dbraw/zinc/20/53/53/990205353.db2.gz YOHKZXATHOLQQN-UHFFFAOYSA-N 2 0 413.610 3.740 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472056898 990221046 /nfs/dbraw/zinc/22/10/46/990221046.db2.gz AQAAFJQQMGFUIS-NQIIRXRSSA-N 2 0 424.992 3.989 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472074973 990234741 /nfs/dbraw/zinc/23/47/41/990234741.db2.gz PWUUJNGIEVTUOR-NQHRYMMQSA-N 2 0 420.601 3.861 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465858557 990969554 /nfs/dbraw/zinc/96/95/54/990969554.db2.gz AOPPIDGMEUOAQS-GOTSBHOMSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000465859641 990970762 /nfs/dbraw/zinc/97/07/62/990970762.db2.gz BQSIZVVSAWYRHD-ZJSXRUAMSA-N 2 0 414.638 3.845 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000465913947 991046364 /nfs/dbraw/zinc/04/63/64/991046364.db2.gz YNDHWCWLTFMXRD-XLIONFOSSA-N 2 0 407.002 3.676 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000466004059 991169058 /nfs/dbraw/zinc/16/90/58/991169058.db2.gz COPVDDSRPRZPMT-HXUWFJFHSA-N 2 0 420.601 3.610 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466079041 991254282 /nfs/dbraw/zinc/25/42/82/991254282.db2.gz OHUJHMBPZSHIGI-SFHLNBCPSA-N 2 0 404.624 3.791 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000466084603 991263225 /nfs/dbraw/zinc/26/32/25/991263225.db2.gz YNBSWHBLWPYFKI-SFHLNBCPSA-N 2 0 404.624 3.791 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000466084601 991263714 /nfs/dbraw/zinc/26/37/14/991263714.db2.gz YNBSWHBLWPYFKI-DYXWJJEUSA-N 2 0 404.624 3.791 20 0 HHADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000466247871 991484107 /nfs/dbraw/zinc/48/41/07/991484107.db2.gz NBFJHAQUAIIVPV-OAQYLSRUSA-N 2 0 422.573 3.736 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C[C@@H](C)O1 ZINC000466374585 991652936 /nfs/dbraw/zinc/65/29/36/991652936.db2.gz UCVLYBHCGINWKH-HZPDHXFCSA-N 2 0 404.352 3.743 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000466377250 991659102 /nfs/dbraw/zinc/65/91/02/991659102.db2.gz CQPXYZHIUBEBHJ-HOTGVXAUSA-N 2 0 404.352 3.743 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466400989 991694694 /nfs/dbraw/zinc/69/46/94/991694694.db2.gz XOUCBBYPDNSRMM-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+]1CCN(c2ccccc2CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1 ZINC000466451558 991742422 /nfs/dbraw/zinc/74/24/22/991742422.db2.gz KMYFKLTUNXFMNB-UHFFFAOYSA-N 2 0 423.605 3.639 20 0 HHADRP COc1ccc(C2CC[NH+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000466722383 992033506 /nfs/dbraw/zinc/03/35/06/992033506.db2.gz JSGMTBHHMPGDMA-UHFFFAOYSA-N 2 0 421.585 3.787 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466725047 992035869 /nfs/dbraw/zinc/03/58/69/992035869.db2.gz PGWGCNYZCPVMMX-UHFFFAOYSA-N 2 0 406.958 3.755 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466840221 992150841 /nfs/dbraw/zinc/15/08/41/992150841.db2.gz GMXXBFHCCAZMDR-UHFFFAOYSA-N 2 0 412.981 3.640 20 0 HHADRP O=C(C[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1)NC1CC[NH+](C2CC2)CC1 ZINC000466924958 992237521 /nfs/dbraw/zinc/23/75/21/992237521.db2.gz LZJFWFRWXQBGKO-GOSISDBHSA-N 2 0 411.615 3.899 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000466982204 992292180 /nfs/dbraw/zinc/29/21/80/992292180.db2.gz ZXYUGTLHYDCSNL-UHFFFAOYSA-N 2 0 408.590 3.502 20 0 HHADRP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467087578 992393192 /nfs/dbraw/zinc/39/31/92/992393192.db2.gz ZRDVMKAYEOPOJO-DEOSSOPVSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467094232 992399595 /nfs/dbraw/zinc/39/95/95/992399595.db2.gz ITIDTRSNSWLWKX-OAQYLSRUSA-N 2 0 408.590 3.597 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000467097110 992402744 /nfs/dbraw/zinc/40/27/44/992402744.db2.gz VYKSQXRFHSBDRX-IRLDBZIGSA-N 2 0 414.619 3.735 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccnn1-c1ccccc1 ZINC000467314328 992636724 /nfs/dbraw/zinc/63/67/24/992636724.db2.gz UOTPHXMUKFBTMY-BWKNWUBXSA-N 2 0 403.574 3.902 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468093 992760710 /nfs/dbraw/zinc/76/07/10/992760710.db2.gz QLLLDIWHNRNYLF-CTNGQTDRSA-N 2 0 410.562 3.720 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2)CC1 ZINC000467543728 992823216 /nfs/dbraw/zinc/82/32/16/992823216.db2.gz QTOBBLATMHRLDW-OAQYLSRUSA-N 2 0 420.601 3.784 20 0 HHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000467838827 993070089 /nfs/dbraw/zinc/07/00/89/993070089.db2.gz KZVYRVCCURVPRU-GOSISDBHSA-N 2 0 403.592 3.630 20 0 HHADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472305584 993317406 /nfs/dbraw/zinc/31/74/06/993317406.db2.gz MJUZOBAONJMYLN-JOCHJYFZSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326146 993336090 /nfs/dbraw/zinc/33/60/90/993336090.db2.gz YRZWAXAPRDDGQD-GMKZXUHWSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326148 993336167 /nfs/dbraw/zinc/33/61/67/993336167.db2.gz YRZWAXAPRDDGQD-JRFVFWCSSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000472326154 993336266 /nfs/dbraw/zinc/33/62/66/993336266.db2.gz YRZWAXAPRDDGQD-YFNKSVMNSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472444990 993447497 /nfs/dbraw/zinc/44/74/97/993447497.db2.gz CJTFKBGZVOFILZ-UHFFFAOYSA-N 2 0 418.548 3.555 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725894 993593863 /nfs/dbraw/zinc/59/38/63/993593863.db2.gz ZXHSBYKFDBEIGW-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(Br)c21 ZINC000480739003 993605971 /nfs/dbraw/zinc/60/59/71/993605971.db2.gz ROXBQAZCJBFEJT-DNVCBOLYSA-N 2 0 415.379 3.934 20 0 HHADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000480742819 993609626 /nfs/dbraw/zinc/60/96/26/993609626.db2.gz XUYYGHHSAUDVGD-MRXNPFEDSA-N 2 0 408.468 3.625 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745543 993612964 /nfs/dbraw/zinc/61/29/64/993612964.db2.gz CERROHHZRQORDU-LJQANCHMSA-N 2 0 415.603 3.918 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2C)CC1 ZINC000480757847 993624115 /nfs/dbraw/zinc/62/41/15/993624115.db2.gz DHKTTYRRFGZMOF-UHFFFAOYSA-N 2 0 424.427 3.818 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778538 993644481 /nfs/dbraw/zinc/64/44/81/993644481.db2.gz IDTJQJJURRDFHQ-CYFREDJKSA-N 2 0 420.601 3.946 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000480783428 993650548 /nfs/dbraw/zinc/65/05/48/993650548.db2.gz ZZYQYXLUMPCFBY-PXDATVDWSA-N 2 0 403.574 3.902 20 0 HHADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000481025697 993870074 /nfs/dbraw/zinc/87/00/74/993870074.db2.gz ZVSFEJSSOMJDIG-HSZRJFAPSA-N 2 0 418.585 3.690 20 0 HHADRP Cn1c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473044243 993963072 /nfs/dbraw/zinc/96/30/72/993963072.db2.gz HHSGDEUDKWEVIH-UHFFFAOYSA-N 2 0 410.953 3.879 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000473069765 993989695 /nfs/dbraw/zinc/98/96/95/993989695.db2.gz CABRZWABQZXVSF-QGZVFWFLSA-N 2 0 400.489 3.894 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)CC1 ZINC000473070977 993990404 /nfs/dbraw/zinc/99/04/04/993990404.db2.gz MARDCALVADWNFH-UHFFFAOYSA-N 2 0 411.565 3.537 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000481245652 994072480 /nfs/dbraw/zinc/07/24/80/994072480.db2.gz IAZZPFPKASEFMS-HNAYVOBHSA-N 2 0 415.379 3.934 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000481306993 994123233 /nfs/dbraw/zinc/12/32/33/994123233.db2.gz NASGJIDKDTTWNS-JPYJTQIMSA-N 2 0 409.565 3.656 20 0 HHADRP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473298460 994153677 /nfs/dbraw/zinc/15/36/77/994153677.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 2 0 409.549 3.676 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000473522067 994377205 /nfs/dbraw/zinc/37/72/05/994377205.db2.gz LCVLXUIPDZTULI-MHJFOBGBSA-N 2 0 411.512 3.991 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000481686199 994546788 /nfs/dbraw/zinc/54/67/88/994546788.db2.gz OGUFEHRCIIDBQI-ZJSXRUAMSA-N 2 0 408.590 3.861 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000473734197 994631586 /nfs/dbraw/zinc/63/15/86/994631586.db2.gz GEGDGJLUEMOIHI-WOJBJXKFSA-N 2 0 412.622 3.849 20 0 HHADRP Cc1c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1C(F)(F)F ZINC000473815930 994742793 /nfs/dbraw/zinc/74/27/93/994742793.db2.gz FSCPSKRIDVEXJT-UHFFFAOYSA-N 2 0 421.467 3.743 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906144 994778318 /nfs/dbraw/zinc/77/83/18/994778318.db2.gz CONCBHKCVALYPR-RBBKRZOGSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000481922777 994795366 /nfs/dbraw/zinc/79/53/66/994795366.db2.gz YVXQFZRIXCXDDQ-KRWDZBQOSA-N 2 0 419.491 3.814 20 0 HHADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481934215 994806681 /nfs/dbraw/zinc/80/66/81/994806681.db2.gz RQWBPYPUDXPTTA-IBGZPJMESA-N 2 0 409.983 3.551 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000473873985 994816137 /nfs/dbraw/zinc/81/61/37/994816137.db2.gz KWGYEFPFFDAGIR-WOJBJXKFSA-N 2 0 400.611 3.563 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000473881337 994827911 /nfs/dbraw/zinc/82/79/11/994827911.db2.gz CFBAVGVKWSHPND-GKJHBJHPSA-N 2 0 414.619 3.807 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000473885012 994834303 /nfs/dbraw/zinc/83/43/03/994834303.db2.gz KBXDMNBPKGAIEC-WGMWDUQUSA-N 2 0 400.611 3.751 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000473941447 994916828 /nfs/dbraw/zinc/91/68/28/994916828.db2.gz QZCCXDAORYYHKW-RTBURBONSA-N 2 0 400.611 3.705 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000473945378 994922110 /nfs/dbraw/zinc/92/21/10/994922110.db2.gz PAAGSQLSJDAZGR-WOJBJXKFSA-N 2 0 408.590 3.704 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000482110606 995057358 /nfs/dbraw/zinc/05/73/58/995057358.db2.gz BARHTAQVPBBEHV-QGZVFWFLSA-N 2 0 403.368 3.707 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111888 995058996 /nfs/dbraw/zinc/05/89/96/995058996.db2.gz FIBHGOIQJGDNTI-MRXNPFEDSA-N 2 0 421.358 3.846 20 0 HHADRP COC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000482118214 995065256 /nfs/dbraw/zinc/06/52/56/995065256.db2.gz HSORRCXETHANOT-NRFANRHFSA-N 2 0 422.495 3.590 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000482124484 995072745 /nfs/dbraw/zinc/07/27/45/995072745.db2.gz YRNKSDRPOSJHSW-WMZHIEFXSA-N 2 0 410.562 3.561 20 0 HHADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125406 995074732 /nfs/dbraw/zinc/07/47/32/995074732.db2.gz VAPNQTVSAONKKN-RDPSFJRHSA-N 2 0 409.574 3.511 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482259338 995237226 /nfs/dbraw/zinc/23/72/26/995237226.db2.gz DMRTUQYDGCOXAP-ISKFKSNPSA-N 2 0 412.622 3.803 20 0 HHADRP COc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000482259368 995237554 /nfs/dbraw/zinc/23/75/54/995237554.db2.gz HEMUGROIIWEFML-GOSISDBHSA-N 2 0 405.542 3.991 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000482260442 995238233 /nfs/dbraw/zinc/23/82/33/995238233.db2.gz IFGBOPFHHXVUKV-HXUWFJFHSA-N 2 0 418.379 3.981 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482284517 995263439 /nfs/dbraw/zinc/26/34/39/995263439.db2.gz BQFLEQLVEUOPGZ-ISKFKSNPSA-N 2 0 410.606 3.557 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474361422 995341788 /nfs/dbraw/zinc/34/17/88/995341788.db2.gz CNTNHKWFZRAJRN-VNXZQDSDSA-N 2 0 412.622 3.776 20 0 HHADRP COc1ccc2nc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000474362559 995343194 /nfs/dbraw/zinc/34/31/94/995343194.db2.gz OTXJWYGMYRGEKT-UHFFFAOYSA-N 2 0 410.587 3.997 20 0 HHADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000482368923 995351357 /nfs/dbraw/zinc/35/13/57/995351357.db2.gz UPHIMXPTMNXNGC-VWLOTQADSA-N 2 0 406.574 3.921 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000474464104 995426445 /nfs/dbraw/zinc/42/64/45/995426445.db2.gz KSIASXGRALKAJW-UHFFFAOYSA-N 2 0 403.574 3.608 20 0 HHADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccsc2S1 ZINC000482445649 995443048 /nfs/dbraw/zinc/44/30/48/995443048.db2.gz BBMSTYBRZWUFNZ-WMZOPIPTSA-N 2 0 403.621 3.656 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000474505788 995466247 /nfs/dbraw/zinc/46/62/47/995466247.db2.gz LADZWZXIEHOSNC-XLGPZGCCSA-N 2 0 400.611 3.657 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000474511676 995472648 /nfs/dbraw/zinc/47/26/48/995472648.db2.gz IKQVCYIRDYRIJT-NHCUHLMSSA-N 2 0 412.622 3.660 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000474525058 995490384 /nfs/dbraw/zinc/49/03/84/995490384.db2.gz WYXFQURHAPZKKE-NHCUHLMSSA-N 2 0 414.638 3.906 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000474527380 995493192 /nfs/dbraw/zinc/49/31/92/995493192.db2.gz XIMZWMIXPYFMHZ-QEFHDYNCSA-N 2 0 412.622 3.516 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482490658 995500084 /nfs/dbraw/zinc/50/00/84/995500084.db2.gz YRWXEIHHKOUQFG-APWZRJJASA-N 2 0 410.400 3.526 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482508883 995519343 /nfs/dbraw/zinc/51/93/43/995519343.db2.gz KAEUIDYIXYTEPE-CRAIPNDOSA-N 2 0 412.441 3.849 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000482510033 995520846 /nfs/dbraw/zinc/52/08/46/995520846.db2.gz NCJSBRHKRSIRNY-IRXDYDNUSA-N 2 0 402.608 3.661 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482516809 995526645 /nfs/dbraw/zinc/52/66/45/995526645.db2.gz YYLZKEURTGIQND-APWZRJJASA-N 2 0 410.400 3.526 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000482532942 995541714 /nfs/dbraw/zinc/54/17/14/995541714.db2.gz LCVIACODOUUOII-SJLPKXTDSA-N 2 0 416.566 3.504 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482543885 995551793 /nfs/dbraw/zinc/55/17/93/995551793.db2.gz MXDHLOJAFXHWPC-NRFANRHFSA-N 2 0 411.638 3.592 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482544387 995552315 /nfs/dbraw/zinc/55/23/15/995552315.db2.gz RWLSFMVNSHUDMT-APWZRJJASA-N 2 0 400.592 3.665 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482544712 995552398 /nfs/dbraw/zinc/55/23/98/995552398.db2.gz UGHBQYPDMGKQFR-PLLRFLLMSA-N 2 0 403.567 3.727 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474625531 995574542 /nfs/dbraw/zinc/57/45/42/995574542.db2.gz AQVAPGUATQWHPL-UHFFFAOYSA-N 2 0 406.496 3.965 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570405 995575346 /nfs/dbraw/zinc/57/53/46/995575346.db2.gz WJHQWFXYMZBZQZ-QAPCUYQASA-N 2 0 416.566 3.504 20 0 HHADRP CC1CC[NH+](CC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000474714733 995653746 /nfs/dbraw/zinc/65/37/46/995653746.db2.gz OPGRZBRIYCIZQX-UHFFFAOYSA-N 2 0 411.512 3.860 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000474725445 995661206 /nfs/dbraw/zinc/66/12/06/995661206.db2.gz YUZIESRILWVIIX-DLBZAZTESA-N 2 0 410.587 3.870 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474728355 995663611 /nfs/dbraw/zinc/66/36/11/995663611.db2.gz MYCLIGJGFYBRHH-RTBURBONSA-N 2 0 401.986 3.814 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1OC ZINC000474824330 995729819 /nfs/dbraw/zinc/72/98/19/995729819.db2.gz ZBPIQHBLOVAKBI-WOJBJXKFSA-N 2 0 403.611 3.736 20 0 HHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482809063 995764036 /nfs/dbraw/zinc/76/40/36/995764036.db2.gz CEVUJIVBLNGVCY-QFBILLFUSA-N 2 0 415.965 3.897 20 0 HHADRP C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000474948858 995819292 /nfs/dbraw/zinc/81/92/92/995819292.db2.gz SDLSWIAJZWGFHO-HNNXBMFYSA-N 2 0 400.348 3.934 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000482887881 995819287 /nfs/dbraw/zinc/81/92/87/995819287.db2.gz LHVMTGPFMWAHPP-YDHSSHFGSA-N 2 0 409.565 3.656 20 0 HHADRP CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009679 995866132 /nfs/dbraw/zinc/86/61/32/995866132.db2.gz RNUQKIHOOREAJS-ISKFKSNPSA-N 2 0 424.589 3.604 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)c1ccccc1 ZINC000475030196 995881541 /nfs/dbraw/zinc/88/15/41/995881541.db2.gz RAMTTWMTEPKUII-LJQANCHMSA-N 2 0 418.379 3.693 20 0 HHADRP CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034140 995883664 /nfs/dbraw/zinc/88/36/64/995883664.db2.gz USSKDDFCZOMUOW-VQTJNVASSA-N 2 0 400.592 3.657 20 0 HHADRP CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000475112181 995929769 /nfs/dbraw/zinc/92/97/69/995929769.db2.gz FDHINGSDKAJBLK-UHFFFAOYSA-N 2 0 412.622 3.920 20 0 HHADRP COc1ccc2oc([C@@H](C)[NH2+]CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000475153468 995956881 /nfs/dbraw/zinc/95/68/81/995956881.db2.gz DBVGMLWNCLBRJO-DYESRHJHSA-N 2 0 409.530 3.820 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+]CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000475153472 995957593 /nfs/dbraw/zinc/95/75/93/995957593.db2.gz DBVGMLWNCLBRJO-UWJYYQICSA-N 2 0 409.530 3.820 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483117295 995986260 /nfs/dbraw/zinc/98/62/60/995986260.db2.gz GQZWNPHHHWQLFL-KNQAVFIVSA-N 2 0 409.549 3.784 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266039 996034159 /nfs/dbraw/zinc/03/41/59/996034159.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 2 0 420.601 3.955 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200698 996034200 /nfs/dbraw/zinc/03/42/00/996034200.db2.gz OKFUGQOJNWMAQP-FHWLQOOXSA-N 2 0 411.537 3.593 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475278333 996041127 /nfs/dbraw/zinc/04/11/27/996041127.db2.gz IQMZIDCMLRUABE-XMMPIXPASA-N 3 0 406.618 3.830 20 0 HHADRP Cc1ccc([C@H](C)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000483299498 996087132 /nfs/dbraw/zinc/08/71/32/996087132.db2.gz VULIGHYKMRYVRK-WOJBJXKFSA-N 2 0 417.619 3.679 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000483518163 996228723 /nfs/dbraw/zinc/22/87/23/996228723.db2.gz LEVFIWOJJQLNTQ-JOCHJYFZSA-N 2 0 414.594 3.538 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CC1 ZINC000483680162 996325232 /nfs/dbraw/zinc/32/52/32/996325232.db2.gz GECHZBKUBPQSEK-XMMPIXPASA-N 2 0 424.589 3.796 20 0 HHADRP COc1cccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[NH+]2CCCC2)c1 ZINC000483706199 996339515 /nfs/dbraw/zinc/33/95/15/996339515.db2.gz BNTNJYYVHIHDDK-QHCPKHFHSA-N 2 0 414.594 3.538 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1C ZINC000483708513 996341116 /nfs/dbraw/zinc/34/11/16/996341116.db2.gz JMUJBIWNROVUDG-LAUBAEHRSA-N 2 0 407.002 3.819 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000483755450 996367618 /nfs/dbraw/zinc/36/76/18/996367618.db2.gz JCPRYPQDDQHJDV-IBGZPJMESA-N 2 0 418.582 3.530 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483760324 996370325 /nfs/dbraw/zinc/37/03/25/996370325.db2.gz PBKVSZGOQYYZDQ-SFHVURJKSA-N 2 0 404.624 3.666 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800089 996395962 /nfs/dbraw/zinc/39/59/62/996395962.db2.gz AZOFQGXDGKRHQG-WIYYLYMNSA-N 2 0 418.582 3.701 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814921 996405743 /nfs/dbraw/zinc/40/57/43/996405743.db2.gz HCZXCNZOQYKJHE-HLIPFELVSA-N 2 0 413.400 3.943 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@@H+]2C2CC2)c1 ZINC000483972874 996499556 /nfs/dbraw/zinc/49/95/56/996499556.db2.gz IWEVXTSBBZESON-NHCUHLMSSA-N 2 0 414.594 3.581 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974565 996500854 /nfs/dbraw/zinc/50/08/54/996500854.db2.gz MFPNBIDRGNQKME-XUZZJYLKSA-N 2 0 408.590 3.718 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483977047 996501771 /nfs/dbraw/zinc/50/17/71/996501771.db2.gz HTEDOMNWZMNTDZ-UHFFFAOYSA-N 2 0 407.002 3.820 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000484277991 996674717 /nfs/dbraw/zinc/67/47/17/996674717.db2.gz OCVZHANRAWHDNV-OAHLLOKOSA-N 2 0 415.500 3.863 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000484287586 996680525 /nfs/dbraw/zinc/68/05/25/996680525.db2.gz GQLAXVVWWYERKS-LJQANCHMSA-N 2 0 407.986 3.770 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000484294800 996685130 /nfs/dbraw/zinc/68/51/30/996685130.db2.gz UOOZHDYOIUEUEK-OAHLLOKOSA-N 2 0 415.500 3.863 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000484309172 996694207 /nfs/dbraw/zinc/69/42/07/996694207.db2.gz HITKGNSMZUANHP-NRFANRHFSA-N 2 0 404.599 3.639 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1Br ZINC000484315496 996697917 /nfs/dbraw/zinc/69/79/17/996697917.db2.gz XBJRLQPEVQFFMF-HNNXBMFYSA-N 2 0 410.400 3.726 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000484481582 996801680 /nfs/dbraw/zinc/80/16/80/996801680.db2.gz WFBAZLSKWBSDBT-QUCCMNQESA-N 2 0 413.562 3.574 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000484494352 996818545 /nfs/dbraw/zinc/81/85/45/996818545.db2.gz VPTBCNFXYULTBP-IBGZPJMESA-N 2 0 402.583 3.942 20 0 HHADRP COc1cc(CN2CC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614627 996947610 /nfs/dbraw/zinc/94/76/10/996947610.db2.gz KLOMOOZQJPYTRN-NRFANRHFSA-N 2 0 401.595 3.665 20 0 HHADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000484699342 997037743 /nfs/dbraw/zinc/03/77/43/997037743.db2.gz ACNYNFSHQZGDBG-DEOSSOPVSA-N 2 0 408.590 3.672 20 0 HHADRP C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000476871369 997447759 /nfs/dbraw/zinc/44/77/59/997447759.db2.gz DDGXYIOIMSQKNG-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000485247149 997631837 /nfs/dbraw/zinc/63/18/37/997631837.db2.gz REYCLXMSZMORAZ-HYBUGGRVSA-N 2 0 408.590 3.889 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000477011411 997644566 /nfs/dbraw/zinc/64/45/66/997644566.db2.gz YFNINTOIJUYDQH-RXVVDRJESA-N 2 0 403.929 3.964 20 0 HHADRP C(CC[NH+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477049803 997689646 /nfs/dbraw/zinc/68/96/46/997689646.db2.gz KLLQVRRDBIDAFP-DQEYMECFSA-N 4 0 404.687 3.772 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292020 997693960 /nfs/dbraw/zinc/69/39/60/997693960.db2.gz RQJQZFOYMGOVMN-WNXIRNOKSA-N 2 0 412.622 3.790 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000485391834 997820160 /nfs/dbraw/zinc/82/01/60/997820160.db2.gz YOGFIETULQMXOJ-IBGZPJMESA-N 2 0 407.002 3.535 20 0 HHADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000485395650 997823799 /nfs/dbraw/zinc/82/37/99/997823799.db2.gz GLSCRBZWBAWCDA-JTAQYXEDSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000477377466 998065083 /nfs/dbraw/zinc/06/50/83/998065083.db2.gz GZZURWNSSVKMJC-GMAHTHKFSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477862514 998613369 /nfs/dbraw/zinc/61/33/69/998613369.db2.gz OABJMTFFCFTZKB-UHFFFAOYSA-N 2 0 407.606 3.997 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000477918040 998656436 /nfs/dbraw/zinc/65/64/36/998656436.db2.gz OWABXEOKHRBODB-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000477968276 998688760 /nfs/dbraw/zinc/68/87/60/998688760.db2.gz QTFXVQVMJVXBOM-DENIHFKCSA-N 2 0 400.567 3.642 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000478032547 998724728 /nfs/dbraw/zinc/72/47/28/998724728.db2.gz XPUFPHMZULHLTD-DEOSSOPVSA-N 2 0 421.589 3.508 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472022 998784749 /nfs/dbraw/zinc/78/47/49/998784749.db2.gz AWUBACZJTXLBEW-NZQKXSOJSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487061356 999051018 /nfs/dbraw/zinc/05/10/18/999051018.db2.gz DAZBASDFJPKKLT-GHTZIAJQSA-N 2 0 412.553 3.597 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000487192650 999092827 /nfs/dbraw/zinc/09/28/27/999092827.db2.gz UXGYZYNEARROOU-GOSISDBHSA-N 2 0 412.335 3.707 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000487419770 999170044 /nfs/dbraw/zinc/17/00/44/999170044.db2.gz UMODLAFGMUKVFJ-UHFFFAOYSA-N 2 0 409.574 3.933 20 0 HHADRP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000478892541 999197889 /nfs/dbraw/zinc/19/78/89/999197889.db2.gz NDGGJXSKNIXJJX-ROUUACIJSA-N 2 0 410.562 3.659 20 0 HHADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479056084 999271202 /nfs/dbraw/zinc/27/12/02/999271202.db2.gz GMTSMRSQDPVOOT-OAHLLOKOSA-N 2 0 409.290 3.965 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479074098 999281311 /nfs/dbraw/zinc/28/13/11/999281311.db2.gz YYGDKPWSGLUHPI-HXUWFJFHSA-N 2 0 412.391 3.903 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488009649 999346814 /nfs/dbraw/zinc/34/68/14/999346814.db2.gz URLSBTFVSTVFCE-WIYYLYMNSA-N 2 0 412.553 3.597 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000479255781 999350160 /nfs/dbraw/zinc/35/01/60/999350160.db2.gz FXCZLIWXSBHLGW-SFHVURJKSA-N 2 0 417.395 3.577 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000479257469 999350963 /nfs/dbraw/zinc/35/09/63/999350963.db2.gz HMEZZYZXBRGUNJ-GOSISDBHSA-N 2 0 408.428 3.920 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479289172 999367326 /nfs/dbraw/zinc/36/73/26/999367326.db2.gz VZJPNRIEHMDEEH-UWJYYQICSA-N 2 0 402.380 3.764 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479331530 999389141 /nfs/dbraw/zinc/38/91/41/999389141.db2.gz RBPBMNUOOWPIQX-ZIAGYGMSSA-N 2 0 422.422 3.946 20 0 HHADRP C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)n2)CC1 ZINC000488382057 999467522 /nfs/dbraw/zinc/46/75/22/999467522.db2.gz CRUGZJRNIIIISX-UHFFFAOYSA-N 2 0 410.566 3.822 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000488409754 999478886 /nfs/dbraw/zinc/47/88/86/999478886.db2.gz XALLVERTJZDKCJ-GOSISDBHSA-N 2 0 410.002 3.620 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000488461146 999493938 /nfs/dbraw/zinc/49/39/38/999493938.db2.gz OVZXPSGPDNGHPF-QHCPKHFHSA-N 2 0 422.573 3.534 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478907 999501338 /nfs/dbraw/zinc/50/13/38/999501338.db2.gz NNVZXSAZVSDLPC-YADARESESA-N 2 0 400.526 3.888 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478902 999501516 /nfs/dbraw/zinc/50/15/16/999501516.db2.gz NNVZXSAZVSDLPC-DVECYGJZSA-N 2 0 400.526 3.888 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000488506566 999511583 /nfs/dbraw/zinc/51/15/83/999511583.db2.gz ZJVHZMYRNNVDKJ-SQJMNOBHSA-N 2 0 405.586 3.925 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529158 999518916 /nfs/dbraw/zinc/51/89/16/999518916.db2.gz HDDONTKHQQSQIA-MDNUFGMLSA-N 2 0 400.611 3.564 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000488545783 999523439 /nfs/dbraw/zinc/52/34/39/999523439.db2.gz JTCHPCJADAPCJY-QPPBQGQZSA-N 2 0 414.638 3.954 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075196 999710285 /nfs/dbraw/zinc/71/02/85/999710285.db2.gz ZQXPIMOTGGFBKN-MZBJOSPHSA-N 2 0 423.601 3.569 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000489293356 999739037 /nfs/dbraw/zinc/73/90/37/999739037.db2.gz FZIFZVGYADWJPI-RDPSFJRHSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@@H+](C2CCC2)C1 ZINC000489403566 999759981 /nfs/dbraw/zinc/75/99/81/999759981.db2.gz ODRMWYCEYCAZCT-WAOWUJCRSA-N 2 0 404.624 3.647 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530367 999785513 /nfs/dbraw/zinc/78/55/13/999785513.db2.gz LZGABVWSEMATAQ-XXBNENTESA-N 2 0 410.562 3.659 20 0 HHADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)c(F)c1 ZINC000489587518 999798215 /nfs/dbraw/zinc/79/82/15/999798215.db2.gz PXCTWWRSLDEOJZ-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP C[C@@H](O)[C@](C)(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000480444336 999800481 /nfs/dbraw/zinc/80/04/81/999800481.db2.gz LRJSWCJQEFVMTQ-RLWLMLJZSA-N 2 0 409.618 3.936 20 0 HHADRP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455696 999803256 /nfs/dbraw/zinc/80/32/56/999803256.db2.gz WBIHZKUIGXEFEW-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000489616792 999803657 /nfs/dbraw/zinc/80/36/57/999803657.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 2 0 408.590 3.717 20 0 HHADRP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC2 ZINC000480461738 999804415 /nfs/dbraw/zinc/80/44/15/999804415.db2.gz AICAXKADIHNHML-GOSISDBHSA-N 2 0 401.986 3.516 20 0 HHADRP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489630875 999806256 /nfs/dbraw/zinc/80/62/56/999806256.db2.gz BOQVOWFHFFYIJG-QFIPXVFZSA-N 2 0 423.601 3.723 20 0 HHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489730565 999826607 /nfs/dbraw/zinc/82/66/07/999826607.db2.gz XRDJWZMUHRBGPF-SQPSSPNNSA-N 2 0 412.622 3.515 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748313 999830138 /nfs/dbraw/zinc/83/01/38/999830138.db2.gz SVCRWWTZCMULTF-FUDKSRODSA-N 2 0 412.622 3.803 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602975 999838114 /nfs/dbraw/zinc/83/81/14/999838114.db2.gz QVTVGOFFACSMMH-RBUKOAKNSA-N 2 0 415.603 3.820 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000489808156 999842127 /nfs/dbraw/zinc/84/21/27/999842127.db2.gz BBQNSBJANRTTGY-CVDCTZTESA-N 2 0 412.578 3.572 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CCCOC)c2ccc(Br)cc2)CC1 ZINC000480617762 999842302 /nfs/dbraw/zinc/84/23/02/999842302.db2.gz VULHIDMMLUDCCC-YLJYHZDGSA-N 2 0 412.416 3.532 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844419 999848275 /nfs/dbraw/zinc/84/82/75/999848275.db2.gz XMVIAPBHFLZBSQ-YKSBVNFPSA-N 2 0 424.589 3.796 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489869742 999851942 /nfs/dbraw/zinc/85/19/42/999851942.db2.gz AJQALHSQONUHQR-NHCUHLMSSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)ccc3OC(F)F)cn2)CC1 ZINC000480688720 999859627 /nfs/dbraw/zinc/85/96/27/999859627.db2.gz JBIJDGOPQZSGRC-KRWDZBQOSA-N 2 0 404.505 3.984 20 0 HHADRP C[NH+](C)C1(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCCCCC1 ZINC000489910183 999860498 /nfs/dbraw/zinc/86/04/98/999860498.db2.gz AXLRUIIODJDKOR-UHFFFAOYSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480708793 999864713 /nfs/dbraw/zinc/86/47/13/999864713.db2.gz WLDFRTMIAYKAMD-GVUKDKGQSA-N 2 0 407.602 3.603 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000490354380 999943251 /nfs/dbraw/zinc/94/32/51/999943251.db2.gz LJHFCWVKOPBLOR-HMXCVIKNSA-N 2 0 417.395 3.926 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000490365160 999945214 /nfs/dbraw/zinc/94/52/14/999945214.db2.gz JMOOYCBNYSDWDJ-KRWDZBQOSA-N 2 0 406.368 3.930 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000490479135 999964172 /nfs/dbraw/zinc/96/41/72/999964172.db2.gz JRVVSMKFOOGKRS-SFHVURJKSA-N 2 0 402.514 3.966 20 0 HHADRP C[C@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000200 1000032310 /nfs/dbraw/zinc/03/23/10/1000032310.db2.gz ZNPCSTRDFBTRSB-ICSRJNTNSA-N 2 0 413.528 3.822 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491002462 1000032761 /nfs/dbraw/zinc/03/27/61/1000032761.db2.gz BSIIWFATNLOWET-QFIPXVFZSA-N 2 0 404.551 3.640 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000491016655 1000034139 /nfs/dbraw/zinc/03/41/39/1000034139.db2.gz DASYKGICFQADJU-IERDGZPVSA-N 2 0 420.370 3.903 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000491076583 1000042843 /nfs/dbraw/zinc/04/28/43/1000042843.db2.gz PEJDFOQQPMIBLA-QHCPKHFHSA-N 2 0 400.538 3.547 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491259890 1000059616 /nfs/dbraw/zinc/05/96/16/1000059616.db2.gz RWGWPWZMMPKXQO-DENIHFKCSA-N 2 0 424.593 3.667 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491259898 1000059835 /nfs/dbraw/zinc/05/98/35/1000059835.db2.gz RWGWPWZMMPKXQO-SIKLNZKXSA-N 2 0 424.593 3.667 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)C1 ZINC000491432139 1000074499 /nfs/dbraw/zinc/07/44/99/1000074499.db2.gz MUNWNEFVNFAZMG-IBGZPJMESA-N 2 0 424.593 3.703 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000491513209 1000080384 /nfs/dbraw/zinc/08/03/84/1000080384.db2.gz JFAVCTIEWMMMCV-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000492426258 1000126610 /nfs/dbraw/zinc/12/66/10/1000126610.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 2 0 420.601 3.513 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000493245506 1000164951 /nfs/dbraw/zinc/16/49/51/1000164951.db2.gz CMCXFZYORUZHKW-LJQANCHMSA-N 2 0 407.327 3.724 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)cs1 ZINC000493766709 1000191217 /nfs/dbraw/zinc/19/12/17/1000191217.db2.gz KMAYCCQVJNSRDP-HNNXBMFYSA-N 2 0 409.397 3.769 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000493965189 1000241001 /nfs/dbraw/zinc/24/10/01/1000241001.db2.gz NANVKCAYROJFII-NRFANRHFSA-N 2 0 400.567 3.704 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615964 1000293940 /nfs/dbraw/zinc/29/39/40/1000293940.db2.gz WLZHGSKVECHDFA-SFTDATJTSA-N 2 0 401.501 3.563 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000494366196 1000456725 /nfs/dbraw/zinc/45/67/25/1000456725.db2.gz IABBSHAXNTVXPH-UHFFFAOYSA-N 2 0 424.770 3.684 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000494745126 1000631757 /nfs/dbraw/zinc/63/17/57/1000631757.db2.gz GXMTYUONBPWVFT-AREMUKBSSA-N 2 0 421.585 3.787 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926771 1000733470 /nfs/dbraw/zinc/73/34/70/1000733470.db2.gz ZIQHXYHZXGHTQZ-ZCNNSNEGSA-N 2 0 409.574 3.848 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505379715 1000735892 /nfs/dbraw/zinc/73/58/92/1000735892.db2.gz MUDYFVKSNCLTNC-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP CCOc1c(Cl)cccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000495171767 1000900008 /nfs/dbraw/zinc/90/00/08/1000900008.db2.gz JGSBSXQUUCQRMD-UHFFFAOYSA-N 2 0 410.002 3.655 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605658 1000931128 /nfs/dbraw/zinc/93/11/28/1000931128.db2.gz HPSHFVTXTCRMHO-HYBUGGRVSA-N 2 0 408.590 3.638 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000505686795 1000975879 /nfs/dbraw/zinc/97/58/79/1000975879.db2.gz WAYHMCTVNWXDQG-ZEQRLZLVSA-N 2 0 406.574 3.841 20 0 HHADRP COc1cc([C@H](C)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441029 1001013318 /nfs/dbraw/zinc/01/33/18/1001013318.db2.gz ZSQKYHWRLRKPTQ-BBTUJRGHSA-N 2 0 416.587 3.660 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000495445430 1001014450 /nfs/dbraw/zinc/01/44/50/1001014450.db2.gz VHIIMVHOCRQRID-XMSQKQJNSA-N 2 0 419.013 3.820 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Br ZINC000505800703 1001033161 /nfs/dbraw/zinc/03/31/61/1001033161.db2.gz DMULFTMXRWAJDX-HNNXBMFYSA-N 2 0 416.791 3.591 20 0 HHADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506008726 1001158823 /nfs/dbraw/zinc/15/88/23/1001158823.db2.gz FHROTFPOPYGAMT-NRFANRHFSA-N 2 0 401.501 3.522 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506191207 1001269538 /nfs/dbraw/zinc/26/95/38/1001269538.db2.gz OQHZNJDQPRKQIW-NRFANRHFSA-N 2 0 402.583 3.714 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000497359392 1001308827 /nfs/dbraw/zinc/30/88/27/1001308827.db2.gz BERWCGDQQBGQEJ-UHFFFAOYSA-N 2 0 413.562 3.737 20 0 HHADRP COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458535 1001377193 /nfs/dbraw/zinc/37/71/93/1001377193.db2.gz DFXYPKAFENHUBV-OAQYLSRUSA-N 2 0 423.601 3.729 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000506470392 1001426851 /nfs/dbraw/zinc/42/68/51/1001426851.db2.gz MATHPAGANGGVEV-UHFFFAOYSA-N 2 0 423.576 3.922 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000497562039 1001436528 /nfs/dbraw/zinc/43/65/28/1001436528.db2.gz SEHGWYYGWRGWDM-LJQANCHMSA-N 2 0 413.610 3.561 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497566401 1001438721 /nfs/dbraw/zinc/43/87/21/1001438721.db2.gz RSYSWMSPRIAVQR-HYBUGGRVSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445966 /nfs/dbraw/zinc/44/59/66/1001445966.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 2 0 407.549 3.915 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000497601600 1001454585 /nfs/dbraw/zinc/45/45/85/1001454585.db2.gz RJGPYSITJFZKGO-IBGZPJMESA-N 2 0 414.516 3.826 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000497615488 1001459680 /nfs/dbraw/zinc/45/96/80/1001459680.db2.gz PPHQYAUVPFXOBC-OAQYLSRUSA-N 2 0 401.570 3.809 20 0 HHADRP C[C@@H](Cc1ccc(O)cc1)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)COC1 ZINC000497845354 1001534574 /nfs/dbraw/zinc/53/45/74/1001534574.db2.gz NNFJWDNHIONYAN-PMACEKPBSA-N 2 0 412.574 3.540 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497852007 1001537121 /nfs/dbraw/zinc/53/71/21/1001537121.db2.gz HGOLNRFBBMYGHB-FQEVSTJZSA-N 2 0 406.368 3.749 20 0 HHADRP CCCCCNC(=O)C1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000506933829 1001601148 /nfs/dbraw/zinc/60/11/48/1001601148.db2.gz XIFZPZCCEQBNAL-UHFFFAOYSA-N 2 0 414.638 3.735 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000498128089 1001653280 /nfs/dbraw/zinc/65/32/80/1001653280.db2.gz SNKKXKYDMIBHEN-UHFFFAOYSA-N 2 0 407.480 3.971 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1Cl ZINC000498136174 1001657491 /nfs/dbraw/zinc/65/74/91/1001657491.db2.gz JZBOVPUTWAPZTD-JRGCBEDISA-N 2 0 407.002 3.849 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000498158216 1001667616 /nfs/dbraw/zinc/66/76/16/1001667616.db2.gz YEIVMKJIDIWWKC-JDBUVZGPSA-N 2 0 412.622 3.790 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000498166286 1001671332 /nfs/dbraw/zinc/67/13/32/1001671332.db2.gz NNHWPACMVRLJCC-TYPHKJRUSA-N 2 0 404.986 3.603 20 0 HHADRP CCC1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000498276143 1001749880 /nfs/dbraw/zinc/74/98/80/1001749880.db2.gz NAPKLCJORBQCAU-GOTSBHOMSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498687378 1002074526 /nfs/dbraw/zinc/07/45/26/1002074526.db2.gz ATEGVHJRTRWUHK-REWPJTCUSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707571 1002091039 /nfs/dbraw/zinc/09/10/39/1002091039.db2.gz UOMXDJYAWMBEQM-NFBKMPQASA-N 2 0 400.611 3.660 20 0 HHADRP CC[C@@H](c1ccccc1)N(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498710266 1002094383 /nfs/dbraw/zinc/09/43/83/1002094383.db2.gz OGBTXXDXEJJYBU-QHCPKHFHSA-N 2 0 409.578 3.777 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nc2)CC1 ZINC000507510145 1002120291 /nfs/dbraw/zinc/12/02/91/1002120291.db2.gz MFAJLEHCUPPQCO-IEZKXTBUSA-N 2 0 419.617 3.935 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000507889399 1002422525 /nfs/dbraw/zinc/42/25/25/1002422525.db2.gz AUJNPJNIZLVJDM-UHFFFAOYSA-N 2 0 422.411 3.653 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000507929904 1002464113 /nfs/dbraw/zinc/46/41/13/1002464113.db2.gz JWQYDRLUMPPHCE-UHFFFAOYSA-N 2 0 422.013 3.813 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114496 1002504189 /nfs/dbraw/zinc/50/41/89/1002504189.db2.gz XVFJKMLFMYZYNP-XMGTWHOFSA-N 2 0 412.578 3.919 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+]2CCCC2)c1 ZINC000508009317 1002534879 /nfs/dbraw/zinc/53/48/79/1002534879.db2.gz HBYWWTFQNYOECG-JOCHJYFZSA-N 2 0 404.599 3.592 20 0 HHADRP CCn1c2ccccc2c2cc(C[NH2+]CCCN3CCC[C@H]3C(=O)N(C)C)ccc21 ZINC000508087567 1002610253 /nfs/dbraw/zinc/61/02/53/1002610253.db2.gz LUIKBKCFCFZJHL-DEOSSOPVSA-N 2 0 406.574 3.847 20 0 HHADRP CC(C)(C)CN(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000508653315 1003097733 /nfs/dbraw/zinc/09/77/33/1003097733.db2.gz RUNOLIOPDRIWQQ-UHFFFAOYSA-N 2 0 423.605 3.852 20 0 HHADRP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690308 1003127518 /nfs/dbraw/zinc/12/75/18/1003127518.db2.gz JNIFAZFASUOBDH-GBXCKJPGSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693536 1003132111 /nfs/dbraw/zinc/13/21/11/1003132111.db2.gz CYAQCZZDIGLNNW-LSQMVHIFSA-N 2 0 406.618 3.697 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849357 1003270396 /nfs/dbraw/zinc/27/03/96/1003270396.db2.gz BMWXPMJUUJYWOU-SSPYTLHUSA-N 2 0 408.590 3.841 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)o1 ZINC000508889413 1003316282 /nfs/dbraw/zinc/31/62/82/1003316282.db2.gz DKCHICWZZZYWFL-DENIHFKCSA-N 2 0 400.567 3.661 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905477 1003343741 /nfs/dbraw/zinc/34/37/41/1003343741.db2.gz LEYYUIVXCMLXKI-ZTCOLXNVSA-N 2 0 423.605 3.769 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508908398 1003348003 /nfs/dbraw/zinc/34/80/03/1003348003.db2.gz SIEJLVVCMLKVQS-FUDKSRODSA-N 2 0 400.611 3.975 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000500064492 1003410834 /nfs/dbraw/zinc/41/08/34/1003410834.db2.gz ORKKGQIBFKDXCB-UHFFFAOYSA-N 2 0 414.553 3.542 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000500090120 1003450376 /nfs/dbraw/zinc/45/03/76/1003450376.db2.gz QGDINFINHXUDKM-BBTUJRGHSA-N 2 0 413.566 3.629 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000500090123 1003450485 /nfs/dbraw/zinc/45/04/85/1003450485.db2.gz QGDINFINHXUDKM-WAOWUJCRSA-N 2 0 413.566 3.629 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109755 1003472448 /nfs/dbraw/zinc/47/24/48/1003472448.db2.gz IWIFLAGTAMZMHY-NMMYMHLASA-N 2 0 421.589 3.569 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000500131703 1003491729 /nfs/dbraw/zinc/49/17/29/1003491729.db2.gz KGHGJMCDIRZPII-NRFANRHFSA-N 2 0 412.603 3.980 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000500137294 1003497492 /nfs/dbraw/zinc/49/74/92/1003497492.db2.gz APELLRRKFKZSSU-OFNKIYASSA-N 2 0 418.626 3.744 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030058 1003500824 /nfs/dbraw/zinc/50/08/24/1003500824.db2.gz HHDAYWVVWWSMQI-NQIIRXRSSA-N 2 0 407.002 3.850 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509032977 1003503590 /nfs/dbraw/zinc/50/35/90/1003503590.db2.gz PTGJYGWCJAFXDA-JKWVGCSGSA-N 2 0 407.002 3.990 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000500217030 1003557996 /nfs/dbraw/zinc/55/79/96/1003557996.db2.gz HNJOFUJFPOHNCF-IAGOWNOFSA-N 2 0 400.485 3.905 20 0 HHADRP O=C(C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000511843388 1003820198 /nfs/dbraw/zinc/82/01/98/1003820198.db2.gz NAIBHQCOVDJVSA-UXHICEINSA-N 2 0 409.496 3.674 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500624487 1003840021 /nfs/dbraw/zinc/84/00/21/1003840021.db2.gz LZEZABBXEWOQLL-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000500646680 1003859392 /nfs/dbraw/zinc/85/93/92/1003859392.db2.gz QKBPRZATHCQMEH-LGVFNWMJSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000500660152 1003872858 /nfs/dbraw/zinc/87/28/58/1003872858.db2.gz CMECYFSDIWTLBC-BGYRXZFFSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CCOCC1)c1ccccc1 ZINC000500699785 1003904012 /nfs/dbraw/zinc/90/40/12/1003904012.db2.gz OIYXIMOHIXZCPJ-IBGZPJMESA-N 2 0 410.562 3.770 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccco1 ZINC000511961781 1003922399 /nfs/dbraw/zinc/92/23/99/1003922399.db2.gz ULGDIXKONGYXSI-FQEVSTJZSA-N 2 0 401.576 3.641 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000509531794 1003926609 /nfs/dbraw/zinc/92/66/09/1003926609.db2.gz GJDMTPXWUZOVPY-OAQYLSRUSA-N 2 0 417.500 3.723 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccco1 ZINC000509566188 1003948667 /nfs/dbraw/zinc/94/86/67/1003948667.db2.gz DCVQMXSTJMFDFF-IPELMVKDSA-N 2 0 406.958 3.964 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCC1 ZINC000500809553 1003970898 /nfs/dbraw/zinc/97/08/98/1003970898.db2.gz CXCYVANYEAOBGM-HSZRJFAPSA-N 2 0 415.626 3.840 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000500819604 1003978564 /nfs/dbraw/zinc/97/85/64/1003978564.db2.gz VJWWRJJKBNLACM-UHFFFAOYSA-N 2 0 404.574 3.554 20 0 HHADRP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)[NH+]1CCCCCC1 ZINC000509680535 1004025670 /nfs/dbraw/zinc/02/56/70/1004025670.db2.gz OPOLVJNLYNMVIM-MRXNPFEDSA-N 2 0 412.500 3.660 20 0 HHADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCC[NH+]1CCOCC1 ZINC000512110097 1004030085 /nfs/dbraw/zinc/03/00/85/1004030085.db2.gz YYKWLWGLHWOYLY-CQSZACIVSA-N 2 0 421.891 3.778 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512150837 1004060180 /nfs/dbraw/zinc/06/01/80/1004060180.db2.gz WORDMKFJAYFDGV-CEWHCAETSA-N 2 0 410.650 3.804 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000509751167 1004070913 /nfs/dbraw/zinc/07/09/13/1004070913.db2.gz MDQWNMBXPCFGAF-SYYKKAFVSA-N 2 0 414.619 3.951 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180539 1004082612 /nfs/dbraw/zinc/08/26/12/1004082612.db2.gz ANSROLWCIYRSKA-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512184196 1004086472 /nfs/dbraw/zinc/08/64/72/1004086472.db2.gz XHLWCNUZEUASNU-ROUUACIJSA-N 2 0 414.569 3.949 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000509783073 1004093178 /nfs/dbraw/zinc/09/31/78/1004093178.db2.gz OVQVNXAFLSXLOW-GUDVDZBRSA-N 2 0 411.512 3.534 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000501001186 1004106514 /nfs/dbraw/zinc/10/65/14/1004106514.db2.gz SNNNYGKEYNIKDC-XXBNENTESA-N 2 0 409.578 3.597 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccc(Br)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022693 1004126052 /nfs/dbraw/zinc/12/60/52/1004126052.db2.gz RHCUBILMYIPUSN-UHFFFAOYSA-N 2 0 417.351 3.631 20 0 HHADRP C[C@H](NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067438 1004169610 /nfs/dbraw/zinc/16/96/10/1004169610.db2.gz IWYTYNKDRNARIQ-KRWDZBQOSA-N 2 0 400.954 3.761 20 0 HHADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000501075655 1004180315 /nfs/dbraw/zinc/18/03/15/1004180315.db2.gz COSJTLRQRRODGB-UHFFFAOYSA-N 2 0 415.409 3.670 20 0 HHADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077949 1004183337 /nfs/dbraw/zinc/18/33/37/1004183337.db2.gz PVUAEFGMXDDZKV-OAQYLSRUSA-N 2 0 416.928 3.828 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000501086023 1004190909 /nfs/dbraw/zinc/19/09/09/1004190909.db2.gz UWKKSWLUTBNBAF-NFBKMPQASA-N 2 0 421.589 3.602 20 0 HHADRP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501092880 1004198450 /nfs/dbraw/zinc/19/84/50/1004198450.db2.gz XUELPFUOEFFSKJ-UHFFFAOYSA-N 2 0 408.590 3.977 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000510037161 1004281050 /nfs/dbraw/zinc/28/10/50/1004281050.db2.gz AZBBNTSRIIZORN-IBGZPJMESA-N 2 0 415.607 3.614 20 0 HHADRP Cc1cccc(C)c1OCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512419975 1004285940 /nfs/dbraw/zinc/28/59/40/1004285940.db2.gz GBHUHJIEDXZSED-VWLOTQADSA-N 2 0 407.602 3.964 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386036 1004382353 /nfs/dbraw/zinc/38/23/53/1004382353.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 2 0 420.601 3.859 20 0 HHADRP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000510193849 1004388369 /nfs/dbraw/zinc/38/83/69/1004388369.db2.gz PTSNFMWSGGCDBA-UHFFFAOYSA-N 2 0 419.997 3.753 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501393201 1004388473 /nfs/dbraw/zinc/38/84/73/1004388473.db2.gz PDADTNJXFYERAH-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501401443 1004393912 /nfs/dbraw/zinc/39/39/12/1004393912.db2.gz WHRMVNVHPUZQTH-LJQANCHMSA-N 2 0 401.545 3.960 20 0 HHADRP CC[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000501405918 1004397140 /nfs/dbraw/zinc/39/71/40/1004397140.db2.gz LVZCROAKEYSSRR-QFIPXVFZSA-N 2 0 410.562 3.585 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244551 1004420900 /nfs/dbraw/zinc/42/09/00/1004420900.db2.gz UDCNKIMQBJMFCD-SFTDATJTSA-N 2 0 405.533 3.621 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512640965 1004452510 /nfs/dbraw/zinc/45/25/10/1004452510.db2.gz BWOQNIMLNJZGQE-PDIHAJQMSA-N 2 0 411.634 3.645 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)(N2CCCCC2)CC1 ZINC000512662575 1004473129 /nfs/dbraw/zinc/47/31/29/1004473129.db2.gz YPOKUVOUKHJUAF-JIMJEQGWSA-N 3 0 424.677 3.827 20 0 HHADRP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512667240 1004477312 /nfs/dbraw/zinc/47/73/12/1004477312.db2.gz OMXPWYFXHYMMOK-TZRRMPRUSA-N 2 0 412.599 3.622 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510325950 1004483681 /nfs/dbraw/zinc/48/36/81/1004483681.db2.gz IYQCNHZTLJCHTP-OYRHEFFESA-N 2 0 412.622 3.934 20 0 HHADRP C[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501527784 1004491462 /nfs/dbraw/zinc/49/14/62/1004491462.db2.gz MDUBRGKFFVOESI-NRFANRHFSA-N 2 0 407.480 3.852 20 0 HHADRP C[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512708687 1004508778 /nfs/dbraw/zinc/50/87/78/1004508778.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512712090 1004511465 /nfs/dbraw/zinc/51/14/65/1004511465.db2.gz NXQGARZTALPCDE-IFMALSPDSA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCC[N@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000501561665 1004518185 /nfs/dbraw/zinc/51/81/85/1004518185.db2.gz NANJELREMPDQNA-UHFFFAOYSA-N 2 0 415.626 3.913 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000501606602 1004548284 /nfs/dbraw/zinc/54/82/84/1004548284.db2.gz MCAZYHBJIAKEJB-XMMPIXPASA-N 2 0 406.574 3.811 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000501634370 1004566820 /nfs/dbraw/zinc/56/68/20/1004566820.db2.gz ZHFGKONYCSRBSU-UHFFFAOYSA-N 2 0 415.622 3.883 20 0 HHADRP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501667403 1004585495 /nfs/dbraw/zinc/58/54/95/1004585495.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 2 0 409.578 3.842 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000510563775 1004708663 /nfs/dbraw/zinc/70/86/63/1004708663.db2.gz DLFUBLVSMNGUGF-UHFFFAOYSA-N 2 0 400.611 3.599 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000501779275 1004719364 /nfs/dbraw/zinc/71/93/64/1004719364.db2.gz ALXFQNOHGZBNMR-XMMPIXPASA-N 2 0 406.574 3.741 20 0 HHADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000501790798 1004732735 /nfs/dbraw/zinc/73/27/35/1004732735.db2.gz OQLHHAYFJYWXND-HXUWFJFHSA-N 2 0 409.521 3.837 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)C ZINC000501868346 1004787418 /nfs/dbraw/zinc/78/74/18/1004787418.db2.gz DZMFYQMBFHKKLS-NVJIOZQYSA-N 2 0 400.611 3.938 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000513191880 1004853682 /nfs/dbraw/zinc/85/36/82/1004853682.db2.gz WYYFNJTZTDIMSO-UHFFFAOYSA-N 2 0 408.590 3.918 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000513267487 1004887209 /nfs/dbraw/zinc/88/72/09/1004887209.db2.gz MECJCJIVEFJTID-QHCPKHFHSA-N 2 0 409.599 3.630 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000510853201 1004892070 /nfs/dbraw/zinc/89/20/70/1004892070.db2.gz MCUZNWLAELWWMJ-HSZRJFAPSA-N 2 0 408.590 3.848 20 0 HHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000513334664 1004916398 /nfs/dbraw/zinc/91/63/98/1004916398.db2.gz ISUAPWZNXJMMHG-DHIUTWEWSA-N 2 0 406.014 3.662 20 0 HHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000513334671 1004916578 /nfs/dbraw/zinc/91/65/78/1004916578.db2.gz ISUAPWZNXJMMHG-GOTSBHOMSA-N 2 0 406.014 3.662 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[NH+](C)C)cc1 ZINC000513382782 1004935687 /nfs/dbraw/zinc/93/56/87/1004935687.db2.gz GPAQNFKYISYTMV-QFIPXVFZSA-N 2 0 400.611 3.758 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513393506 1004941311 /nfs/dbraw/zinc/94/13/11/1004941311.db2.gz GWRBKJWJEGUNSE-RUZDIDTESA-N 2 0 402.542 3.507 20 0 HHADRP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000510957564 1004953769 /nfs/dbraw/zinc/95/37/69/1004953769.db2.gz HKLZOFAVBKPPIU-NHCUHLMSSA-N 2 0 409.574 3.548 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC[NH+](C2CCCC2)CC1 ZINC000513419573 1004956688 /nfs/dbraw/zinc/95/66/88/1004956688.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 2 0 405.533 3.621 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000511003557 1004975755 /nfs/dbraw/zinc/97/57/55/1004975755.db2.gz YHAQXVMDLJZFGI-MOPGFXCFSA-N 2 0 422.573 3.994 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511007910 1004977118 /nfs/dbraw/zinc/97/71/18/1004977118.db2.gz BQSAEYFZENVCAO-NZQKXSOJSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3-c3ccccc3)C2)CC1 ZINC000513483330 1004985790 /nfs/dbraw/zinc/98/57/90/1004985790.db2.gz CTVIPOHFJIYLFH-JOCHJYFZSA-N 2 0 409.574 3.583 20 0 HHADRP Cc1c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494275 1004990437 /nfs/dbraw/zinc/99/04/37/1004990437.db2.gz GZYATTMPLJNKEO-REWPJTCUSA-N 2 0 418.585 3.875 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CC1 ZINC000511110887 1005023742 /nfs/dbraw/zinc/02/37/42/1005023742.db2.gz SMDSEMNYTLZPDA-UHFFFAOYSA-N 2 0 411.512 3.906 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@@H]3C2)cc1 ZINC000513697982 1005086534 /nfs/dbraw/zinc/08/65/34/1005086534.db2.gz VFNLWYIDHCRALW-GVAUOCQISA-N 2 0 420.601 3.699 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ccc(N5CCOCC5)nc4)[C@H]3C2)cc1 ZINC000513697981 1005086645 /nfs/dbraw/zinc/08/66/45/1005086645.db2.gz VFNLWYIDHCRALW-CCDWMCETSA-N 2 0 420.601 3.699 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246669 1005089277 /nfs/dbraw/zinc/08/92/77/1005089277.db2.gz HHMZEYIESWTZBK-MBDNFAEBSA-N 2 0 404.643 3.935 20 0 HHADRP C[C@H](NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC000511253166 1005093083 /nfs/dbraw/zinc/09/30/83/1005093083.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 2 0 420.601 3.981 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000513741149 1005105024 /nfs/dbraw/zinc/10/50/24/1005105024.db2.gz GSPKVNKNIUKMHE-UHFFFAOYSA-N 2 0 408.590 3.552 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1 ZINC000513803268 1005134552 /nfs/dbraw/zinc/13/45/52/1005134552.db2.gz CQNPMCHCKNPHII-UHFFFAOYSA-N 2 0 409.578 3.706 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Sc3ccccn3)o2)(N2CCCCC2)CC1 ZINC000511381149 1005148850 /nfs/dbraw/zinc/14/88/50/1005148850.db2.gz UJMLCEFSSUFCFB-UHFFFAOYSA-N 2 0 400.592 3.866 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000513831116 1005149867 /nfs/dbraw/zinc/14/98/67/1005149867.db2.gz KMVRWMCNRSDJTK-NHCUHLMSSA-N 2 0 415.622 3.880 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891126 1005175366 /nfs/dbraw/zinc/17/53/66/1005175366.db2.gz APBKVIVHZACPIS-HUVFLSCGSA-N 2 0 406.574 3.958 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502821098 1005232120 /nfs/dbraw/zinc/23/21/20/1005232120.db2.gz DYUMJECBNBWEOO-VHYCJAOWSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000502829076 1005235595 /nfs/dbraw/zinc/23/55/95/1005235595.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 2 0 400.611 3.708 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000511594343 1005238354 /nfs/dbraw/zinc/23/83/54/1005238354.db2.gz KALJSYPPVRNCNB-UHFFFAOYSA-N 2 0 404.599 3.993 20 0 HHADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Br)cc1 ZINC000511596959 1005239415 /nfs/dbraw/zinc/23/94/15/1005239415.db2.gz WDEQBFFUJVHBHD-UHFFFAOYSA-N 2 0 410.400 3.649 20 0 HHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000502845003 1005241351 /nfs/dbraw/zinc/24/13/51/1005241351.db2.gz NKXIQGIPWLEPII-PMACEKPBSA-N 2 0 408.590 3.862 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000511624762 1005249553 /nfs/dbraw/zinc/24/95/53/1005249553.db2.gz DVZWMPJGIMPRNA-OALUTQOASA-N 2 0 403.636 3.722 20 0 HHADRP COc1ccc2cc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)ccc2c1 ZINC000511632729 1005253353 /nfs/dbraw/zinc/25/33/53/1005253353.db2.gz YXNYNQZWEAZGDO-UHFFFAOYSA-N 2 0 411.590 3.764 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000502876864 1005254549 /nfs/dbraw/zinc/25/45/49/1005254549.db2.gz OUXAFMGAYVMMRK-REWPJTCUSA-N 2 0 416.610 3.643 20 0 HHADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086547 1005259362 /nfs/dbraw/zinc/25/93/62/1005259362.db2.gz BEYQFDZQSZNIMS-CULFCCOHSA-N 2 0 409.977 3.703 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(C(=O)OC)cs3)cc2)CC1 ZINC000514098484 1005264553 /nfs/dbraw/zinc/26/45/53/1005264553.db2.gz HHTFNOVVCUJTHN-QGZVFWFLSA-N 2 0 401.576 3.523 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000514107627 1005268419 /nfs/dbraw/zinc/26/84/19/1005268419.db2.gz NXYLPCOPUBFPAS-VXKWHMMOSA-N 2 0 414.638 3.956 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514108116 1005268810 /nfs/dbraw/zinc/26/88/10/1005268810.db2.gz VJQOGGHXZVOELL-JTHBVZDNSA-N 2 0 415.626 3.732 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)C1 ZINC000514146273 1005288575 /nfs/dbraw/zinc/28/85/75/1005288575.db2.gz WCNGJFNHDQTILN-QHCPKHFHSA-N 2 0 414.638 3.849 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502948986 1005288609 /nfs/dbraw/zinc/28/86/09/1005288609.db2.gz KUMADVSITXEVRR-OAQYLSRUSA-N 2 0 400.611 3.947 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177027 1005299469 /nfs/dbraw/zinc/29/94/69/1005299469.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 2 0 412.603 3.534 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000514239966 1005327518 /nfs/dbraw/zinc/32/75/18/1005327518.db2.gz VAVPICYYZGUIMY-HYBUGGRVSA-N 2 0 406.574 3.570 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000514242998 1005329578 /nfs/dbraw/zinc/32/95/78/1005329578.db2.gz PQJZPPYKHAWGCE-DEOSSOPVSA-N 2 0 403.526 3.517 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000503059030 1005331443 /nfs/dbraw/zinc/33/14/43/1005331443.db2.gz MKBJLJPFIUZKHV-FQEVSTJZSA-N 2 0 400.611 3.803 20 0 HHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000503081978 1005342574 /nfs/dbraw/zinc/34/25/74/1005342574.db2.gz VLHSGVLRDUJTKL-OAHLLOKOSA-N 2 0 414.331 3.619 20 0 HHADRP CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503111101 1005350053 /nfs/dbraw/zinc/35/00/53/1005350053.db2.gz NBWBALUBJOCXKR-HXUWFJFHSA-N 2 0 400.592 3.657 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209934 1005369138 /nfs/dbraw/zinc/36/91/38/1005369138.db2.gz WELUKKJXBLCMBM-DHIUTWEWSA-N 2 0 424.589 3.589 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)CC1 ZINC000503386193 1005404712 /nfs/dbraw/zinc/40/47/12/1005404712.db2.gz LPFULXDPWAZEER-VABKMULXSA-N 2 0 406.659 3.898 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402253 1005409331 /nfs/dbraw/zinc/40/93/31/1005409331.db2.gz SPYPVHOJTAMQSM-BJKOFHAPSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(C[NH2+][C@H]1CCCC12CCOCC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503417662 1005414314 /nfs/dbraw/zinc/41/43/14/1005414314.db2.gz WFBQDBZFNHLZTQ-RTWAWAEBSA-N 2 0 419.997 3.532 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000503426201 1005416667 /nfs/dbraw/zinc/41/66/67/1005416667.db2.gz ZNKWCSYAVXMSEW-BGYRXZFFSA-N 2 0 418.626 3.573 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCCC1)c1ccccc1 ZINC000503730905 1005486671 /nfs/dbraw/zinc/48/66/71/1005486671.db2.gz SWIDGOLLDLGALN-NRFANRHFSA-N 2 0 423.605 3.818 20 0 HHADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000504255522 1005583677 /nfs/dbraw/zinc/58/36/77/1005583677.db2.gz TVWAKQUVLIQXPP-UHFFFAOYSA-N 2 0 423.605 3.731 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514446078 1005995264 /nfs/dbraw/zinc/99/52/64/1005995264.db2.gz UOLIKXBLXQMTLG-XMMPIXPASA-N 2 0 406.574 3.741 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)N1CC[NH+](C)CC1 ZINC000534058094 1006029690 /nfs/dbraw/zinc/02/96/90/1006029690.db2.gz OLDPFHBYEBVVDX-MOPGFXCFSA-N 2 0 414.819 3.951 20 0 HHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000514628570 1006058826 /nfs/dbraw/zinc/05/88/26/1006058826.db2.gz PXWDQUSAFCBAAN-IBGZPJMESA-N 2 0 404.352 3.952 20 0 HHADRP Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000514635763 1006064378 /nfs/dbraw/zinc/06/43/78/1006064378.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 2 0 416.569 3.532 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000531303135 1006103888 /nfs/dbraw/zinc/10/38/88/1006103888.db2.gz KQLMCWKIRNTPNO-NQIIRXRSSA-N 2 0 404.986 3.604 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000514817553 1006149084 /nfs/dbraw/zinc/14/90/84/1006149084.db2.gz GCRPHPQZAYCPIB-OUDXUNEISA-N 2 0 421.585 3.618 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000531376014 1006160081 /nfs/dbraw/zinc/16/00/81/1006160081.db2.gz PFQSORWQZTWQML-BBTUJRGHSA-N 2 0 407.002 3.991 20 0 HHADRP C[NH+]1CCN(C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166922 /nfs/dbraw/zinc/16/69/22/1006166922.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 2 0 418.629 3.760 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205721 1006198786 /nfs/dbraw/zinc/19/87/86/1006198786.db2.gz VZUUNTFNMQZUJO-LJCCNALRSA-N 2 0 410.965 3.644 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000531442766 1006199290 /nfs/dbraw/zinc/19/92/90/1006199290.db2.gz OKUFAZTWZDFJGB-UHFFFAOYSA-N 2 0 424.589 3.643 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000531443444 1006199302 /nfs/dbraw/zinc/19/93/02/1006199302.db2.gz NSIKFIAUCIULHH-FQEVSTJZSA-N 2 0 406.574 3.948 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C[NH+]1CCCC1 ZINC000534207381 1006200962 /nfs/dbraw/zinc/20/09/62/1006200962.db2.gz XAJNVNCZLRBBQW-SYNHAJSKSA-N 2 0 410.965 3.503 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249472 1006256989 /nfs/dbraw/zinc/25/69/89/1006256989.db2.gz GOZOVGTZNYGPOW-FGZHOGPDSA-N 2 0 412.622 3.805 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534256394 1006265376 /nfs/dbraw/zinc/26/53/76/1006265376.db2.gz AUSLBMISMXZBIM-UHFFFAOYSA-N 2 0 412.622 3.806 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000534264847 1006273025 /nfs/dbraw/zinc/27/30/25/1006273025.db2.gz CXRFYKYFHMLYRA-RXVVDRJESA-N 2 0 403.929 3.964 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282741 1006280454 /nfs/dbraw/zinc/28/04/54/1006280454.db2.gz CETKOOCQAIKMKT-FQEVSTJZSA-N 2 0 418.651 3.914 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1sccc1Br ZINC000531708853 1006369356 /nfs/dbraw/zinc/36/93/56/1006369356.db2.gz JYBUSGMCQBQFSI-OAHLLOKOSA-N 2 0 409.397 3.769 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)C1 ZINC000531714451 1006374247 /nfs/dbraw/zinc/37/42/47/1006374247.db2.gz QARYEOHTAXOFRJ-JTHBVZDNSA-N 2 0 409.599 3.504 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC000531851049 1006471947 /nfs/dbraw/zinc/47/19/47/1006471947.db2.gz PDEGYIJZBPWXCX-UHFFFAOYSA-N 2 0 422.495 3.843 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000531850991 1006472030 /nfs/dbraw/zinc/47/20/30/1006472030.db2.gz CXLXVSFAKVJGJT-UHFFFAOYSA-N 2 0 403.574 3.735 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476574 1006489181 /nfs/dbraw/zinc/48/91/81/1006489181.db2.gz LYZZKUZNROPSAQ-TZIWHRDSSA-N 2 0 410.562 3.720 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937045 1006531390 /nfs/dbraw/zinc/53/13/90/1006531390.db2.gz PWSBSRKCBFLEGF-LJQANCHMSA-N 2 0 406.574 3.560 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3C(C)(C)C)cn2)CC1 ZINC000532075318 1006616764 /nfs/dbraw/zinc/61/67/64/1006616764.db2.gz SJBAQSWXGAZZBW-UHFFFAOYSA-N 2 0 418.589 3.606 20 0 HHADRP CCOc1cccc2cc([C@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)oc21 ZINC000538394067 1006664006 /nfs/dbraw/zinc/66/40/06/1006664006.db2.gz ZQOGCHMTMVJLFT-IBGZPJMESA-N 2 0 423.561 3.875 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC000515792063 1006674665 /nfs/dbraw/zinc/67/46/65/1006674665.db2.gz UDDVYMFNTVCTRC-OAQYLSRUSA-N 2 0 407.002 3.897 20 0 HHADRP CCN(C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000532155463 1006679862 /nfs/dbraw/zinc/67/98/62/1006679862.db2.gz WPDMEPQUBKIIMO-UFYCRDLUSA-N 2 0 419.585 3.556 20 0 HHADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C[NH+]1CCCC1 ZINC000515837743 1006709346 /nfs/dbraw/zinc/70/93/46/1006709346.db2.gz JTCHNCCQRDPKBW-PCCBWWKXSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000532193457 1006711772 /nfs/dbraw/zinc/71/17/72/1006711772.db2.gz VGNSUIZLHIHADH-TVZXLZGTSA-N 3 0 406.618 3.827 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)[NH+](C)C)cc1 ZINC000515842071 1006712429 /nfs/dbraw/zinc/71/24/29/1006712429.db2.gz SHTJALNCQJVUHF-HSZRJFAPSA-N 2 0 414.569 3.764 20 0 HHADRP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532211426 1006724612 /nfs/dbraw/zinc/72/46/12/1006724612.db2.gz CJGWCJRZUOQTTQ-VQTJNVASSA-N 2 0 417.619 3.507 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000532233445 1006738893 /nfs/dbraw/zinc/73/88/93/1006738893.db2.gz DVLBLKLUROSTCF-OAHLLOKOSA-N 2 0 410.400 3.726 20 0 HHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546759 1006810185 /nfs/dbraw/zinc/81/01/85/1006810185.db2.gz QGMDJYQVNZDZMB-OFVILXPXSA-N 2 0 407.606 3.935 20 0 HHADRP COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532358606 1006816148 /nfs/dbraw/zinc/81/61/48/1006816148.db2.gz QYPBLFZRSPLGRE-NRFANRHFSA-N 2 0 422.617 3.842 20 0 HHADRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000538587417 1006854498 /nfs/dbraw/zinc/85/44/98/1006854498.db2.gz FJMVNGODLWFKHD-LJQANCHMSA-N 2 0 411.594 3.726 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnc(N3CCCCC3)c2)CC1 ZINC000538605642 1006877409 /nfs/dbraw/zinc/87/74/09/1006877409.db2.gz OCAHVGDIGRNKSX-UHFFFAOYSA-N 2 0 407.606 3.894 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(Br)c1 ZINC000532451529 1006893649 /nfs/dbraw/zinc/89/36/49/1006893649.db2.gz CGBRLVLGWBHQPN-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941583 1006982415 /nfs/dbraw/zinc/98/24/15/1006982415.db2.gz RNIMVNXRSAWZHZ-PLMTUMEDSA-N 2 0 424.992 3.749 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552494 1006983759 /nfs/dbraw/zinc/98/37/59/1006983759.db2.gz RHMMJJKKDRCXNG-YKSBVNFPSA-N 2 0 406.574 3.712 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)C2)CC1 ZINC000532552492 1006984187 /nfs/dbraw/zinc/98/41/87/1006984187.db2.gz RHMMJJKKDRCXNG-HYBUGGRVSA-N 2 0 406.574 3.712 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333301 1007023108 /nfs/dbraw/zinc/02/31/08/1007023108.db2.gz PPNVWFLDAGEPAU-VWNXMTODSA-N 2 0 424.589 3.502 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000534980554 1007039375 /nfs/dbraw/zinc/03/93/75/1007039375.db2.gz WQKCSUMAEPHHEQ-SFHVURJKSA-N 2 0 418.582 3.660 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987173 1007045974 /nfs/dbraw/zinc/04/59/74/1007045974.db2.gz ZQMPGYQLJCBRPV-DEOSSOPVSA-N 2 0 420.601 3.987 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000538853656 1007128103 /nfs/dbraw/zinc/12/81/03/1007128103.db2.gz UIYURGXUPYEESX-FQEVSTJZSA-N 2 0 415.626 3.840 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(Br)cc43)cn2)CC1 ZINC000538867943 1007145759 /nfs/dbraw/zinc/14/57/59/1007145759.db2.gz YXRKGLNFJBUIPX-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000538875322 1007154655 /nfs/dbraw/zinc/15/46/55/1007154655.db2.gz ATAWYVZVYXXCOM-YKSBVNFPSA-N 2 0 415.626 3.840 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000532765143 1007170508 /nfs/dbraw/zinc/17/05/08/1007170508.db2.gz YQOINFIWAWHRQS-RTWAWAEBSA-N 2 0 405.542 3.835 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000516608605 1007189769 /nfs/dbraw/zinc/18/97/69/1007189769.db2.gz LNIAMYQRLMBGGZ-HXUWFJFHSA-N 2 0 400.611 3.503 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945741 1007230473 /nfs/dbraw/zinc/23/04/73/1007230473.db2.gz HCZXZJCIRBCBCK-LJQANCHMSA-N 2 0 410.562 3.506 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC[C@H]4CCCO4)cc3)nc2)CC1 ZINC000532865900 1007253165 /nfs/dbraw/zinc/25/31/65/1007253165.db2.gz KNEMGWQYSLCPAY-HSZRJFAPSA-N 2 0 410.562 3.782 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535212512 1007263013 /nfs/dbraw/zinc/26/30/13/1007263013.db2.gz QCDKJUNQNISFBG-HXUWFJFHSA-N 2 0 402.583 3.603 20 0 HHADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[NH+]3CCN(c4cccc(C)c4)CC3)c(C)n2n1 ZINC000538987249 1007281788 /nfs/dbraw/zinc/28/17/88/1007281788.db2.gz SCCWDFXLTLRFHI-OAQYLSRUSA-N 2 0 420.605 3.908 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532949928 1007319883 /nfs/dbraw/zinc/31/98/83/1007319883.db2.gz DISVZSVUIFDYFW-MRXNPFEDSA-N 2 0 415.651 3.993 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061910 1007354293 /nfs/dbraw/zinc/35/42/93/1007354293.db2.gz PNULEWGOENUYLY-XFEAKLGESA-N 2 0 417.500 3.528 20 0 HHADRP C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539065158 1007357258 /nfs/dbraw/zinc/35/72/58/1007357258.db2.gz LCNHHTUFKNIMSE-MGPUTAFESA-N 2 0 407.352 3.774 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000517149578 1007462495 /nfs/dbraw/zinc/46/24/95/1007462495.db2.gz OTTDFKOUNWHOOR-QFIPXVFZSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]1Cc1ccccc1 ZINC000533119368 1007464992 /nfs/dbraw/zinc/46/49/92/1007464992.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 2 0 420.601 3.711 20 0 HHADRP CCC1(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533127634 1007468810 /nfs/dbraw/zinc/46/88/10/1007468810.db2.gz ISRVQCWYSOFWKN-JOCHJYFZSA-N 2 0 400.611 3.708 20 0 HHADRP Cc1sc2nc([C@H](C)N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)nc(N)c2c1C ZINC000539197490 1007494657 /nfs/dbraw/zinc/49/46/57/1007494657.db2.gz JQBKGCANYMWUOQ-FMKPAKJESA-N 2 0 417.623 3.773 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000539202771 1007498492 /nfs/dbraw/zinc/49/84/92/1007498492.db2.gz IGXJTZXMFPLOFC-SFHVURJKSA-N 2 0 401.576 3.561 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)CC2)c1 ZINC000517215764 1007511061 /nfs/dbraw/zinc/51/10/61/1007511061.db2.gz OWVSPGYLGXLWQE-DHIUTWEWSA-N 2 0 409.622 3.947 20 0 HHADRP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000539220105 1007511110 /nfs/dbraw/zinc/51/11/10/1007511110.db2.gz GMILQUGMCAEHQS-MRXNPFEDSA-N 2 0 411.531 3.546 20 0 HHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000539234266 1007528860 /nfs/dbraw/zinc/52/88/60/1007528860.db2.gz SJCFESXCWGATGG-HXUWFJFHSA-N 2 0 408.590 3.958 20 0 HHADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533278546 1007590022 /nfs/dbraw/zinc/59/00/22/1007590022.db2.gz GRAHGDVKJNHTDO-XCJLJZCSSA-N 2 0 419.635 3.621 20 0 HHADRP COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288811 1007601155 /nfs/dbraw/zinc/60/11/55/1007601155.db2.gz CGYSAJRZGXKONQ-RBBKRZOGSA-N 2 0 421.585 3.654 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2nc3ccccc3n2C)CC1 ZINC000539313068 1007612003 /nfs/dbraw/zinc/61/20/03/1007612003.db2.gz OFNKEIKMYOGYLQ-SFHVURJKSA-N 2 0 409.553 3.748 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655644 1007668204 /nfs/dbraw/zinc/66/82/04/1007668204.db2.gz OWAQFUHQZFXUHM-RXVVDRJESA-N 2 0 424.992 3.893 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000535673695 1007695558 /nfs/dbraw/zinc/69/55/58/1007695558.db2.gz BNGGMMGEFGMEFR-QFIPXVFZSA-N 2 0 410.606 3.701 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393887 1007700041 /nfs/dbraw/zinc/70/00/41/1007700041.db2.gz ISVFKNSDKIXLDQ-JOCHJYFZSA-N 2 0 409.530 3.602 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000535687988 1007721455 /nfs/dbraw/zinc/72/14/55/1007721455.db2.gz KQJQRCXNQSSNOK-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699300 1007736354 /nfs/dbraw/zinc/73/63/54/1007736354.db2.gz IBIRPNJTUPBRBL-UTKZUKDTSA-N 2 0 424.992 3.988 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535700509 1007736746 /nfs/dbraw/zinc/73/67/46/1007736746.db2.gz NAZBWOMAJNEIKU-FXAWDEMLSA-N 2 0 424.992 3.988 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535700512 1007737857 /nfs/dbraw/zinc/73/78/57/1007737857.db2.gz NAZBWOMAJNEIKU-PXNSSMCTSA-N 2 0 424.992 3.988 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542302 1007758644 /nfs/dbraw/zinc/75/86/44/1007758644.db2.gz OVSCAYMHELSDIT-OFVILXPXSA-N 2 0 420.601 3.828 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000533458281 1007770306 /nfs/dbraw/zinc/77/03/06/1007770306.db2.gz KTZYLQGWSHYDEM-DZFGPLHGSA-N 2 0 407.002 3.849 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H](C)C1 ZINC000539627176 1007944164 /nfs/dbraw/zinc/94/41/64/1007944164.db2.gz MUYGDGFKVOJYTE-BWKNWUBXSA-N 2 0 414.638 3.768 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636688 1007953123 /nfs/dbraw/zinc/95/31/23/1007953123.db2.gz HKQAYIUIWUHOSL-OAQYLSRUSA-N 2 0 410.606 3.938 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000535937356 1007967600 /nfs/dbraw/zinc/96/76/00/1007967600.db2.gz NHTXERMVWYFAIG-KIFXHHALSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942444 1007975040 /nfs/dbraw/zinc/97/50/40/1007975040.db2.gz HYNGBNBQUMHIRC-GBXCKJPGSA-N 2 0 412.622 3.792 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535943020 1007975706 /nfs/dbraw/zinc/97/57/06/1007975706.db2.gz JGWCXSQBEAQTLD-HYBUGGRVSA-N 2 0 412.622 3.934 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)C2)CC1 ZINC000533767334 1008092365 /nfs/dbraw/zinc/09/23/65/1008092365.db2.gz RVAMUEVOIXAXNG-UNMCSNQZSA-N 2 0 419.013 3.850 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnn(Cc4ccccc4)c3)CC2)CC1 ZINC000539823984 1008117960 /nfs/dbraw/zinc/11/79/60/1008117960.db2.gz RDICSDHOCVGWDI-UHFFFAOYSA-N 2 0 409.622 3.560 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000539833228 1008126623 /nfs/dbraw/zinc/12/66/23/1008126623.db2.gz RBJNMDJKJPIJAE-HXUWFJFHSA-N 2 0 414.638 3.591 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)CC1 ZINC000539862561 1008147099 /nfs/dbraw/zinc/14/70/99/1008147099.db2.gz LUUSYOWDGPSAHP-HSZRJFAPSA-N 2 0 403.574 3.626 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094722 1008155874 /nfs/dbraw/zinc/15/58/74/1008155874.db2.gz UYLITJKGQZHJQZ-GMAHTHKFSA-N 2 0 416.610 3.738 20 0 HHADRP CC(C)[C@@H](CCc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000518224609 1008213016 /nfs/dbraw/zinc/21/30/16/1008213016.db2.gz YDQPCVYADITUQN-XMMPIXPASA-N 2 0 408.590 3.615 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Br)s2)[C@H](c2ccccc2)C1 ZINC000518268178 1008234092 /nfs/dbraw/zinc/23/40/92/1008234092.db2.gz GMGYDIVMZDZBPD-SFHVURJKSA-N 2 0 408.409 3.979 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518403933 1008290846 /nfs/dbraw/zinc/29/08/46/1008290846.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 2 0 406.574 3.786 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000518442598 1008308104 /nfs/dbraw/zinc/30/81/04/1008308104.db2.gz XQSGHYXNQVNWBF-OAQYLSRUSA-N 2 0 408.590 3.779 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000540143457 1008309966 /nfs/dbraw/zinc/30/99/66/1008309966.db2.gz GSQVUAXTQSFCIT-DNVCBOLYSA-N 2 0 401.364 3.857 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000518451160 1008313011 /nfs/dbraw/zinc/31/30/11/1008313011.db2.gz OOVIZUKMBTZEOX-HBMCJLEFSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160784 1008316415 /nfs/dbraw/zinc/31/64/15/1008316415.db2.gz KYGCSIKEGVXMBJ-QVKFZJNVSA-N 2 0 419.928 3.876 20 0 HHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540163367 1008317734 /nfs/dbraw/zinc/31/77/34/1008317734.db2.gz LVVGASLNSAGMJJ-DHIUTWEWSA-N 2 0 424.004 3.801 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)[C@H](C)C1 ZINC000540170155 1008320881 /nfs/dbraw/zinc/32/08/81/1008320881.db2.gz WKHRVFFDLVOOHE-HYBUGGRVSA-N 2 0 409.574 3.875 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1OC(F)(F)F ZINC000540171381 1008321119 /nfs/dbraw/zinc/32/11/19/1008321119.db2.gz VKHAQMIEJAYSLK-HNNXBMFYSA-N 2 0 409.452 3.727 20 0 HHADRP CCOC(=O)c1sc2cccc(F)c2c1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000540318077 1008377680 /nfs/dbraw/zinc/37/76/80/1008377680.db2.gz GHSNAUWSARSCIP-UHFFFAOYSA-N 2 0 421.582 3.675 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000540320227 1008378502 /nfs/dbraw/zinc/37/85/02/1008378502.db2.gz GXLXPLPHZQENFR-QGZVFWFLSA-N 2 0 417.500 3.851 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(c4ccccn4)CC3)cc2)C[C@H]1C ZINC000540394831 1008415036 /nfs/dbraw/zinc/41/50/36/1008415036.db2.gz ABPAMISPWSFWQA-FGZHOGPDSA-N 2 0 422.617 3.849 20 0 HHADRP FC(F)(F)COc1cccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000518768904 1008417063 /nfs/dbraw/zinc/41/70/63/1008417063.db2.gz NOLXVYIMEGJSCU-UHFFFAOYSA-N 2 0 407.480 3.535 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000540406327 1008419469 /nfs/dbraw/zinc/41/94/69/1008419469.db2.gz PMNYKUPZLKYQGW-QHCPKHFHSA-N 2 0 403.517 3.580 20 0 HHADRP C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518861678 1008450492 /nfs/dbraw/zinc/45/04/92/1008450492.db2.gz VAYQJIVAVIRMTM-OAQYLSRUSA-N 2 0 407.002 3.726 20 0 HHADRP COc1ccccc1[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC000540551003 1008477634 /nfs/dbraw/zinc/47/76/34/1008477634.db2.gz WDRGYGCCLDXHDN-QHCPKHFHSA-N 2 0 421.585 3.527 20 0 HHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000519007037 1008499364 /nfs/dbraw/zinc/49/93/64/1008499364.db2.gz CGWZKXKTNJDTNB-CYBMUJFWSA-N 2 0 408.395 3.558 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000545473267 1008580600 /nfs/dbraw/zinc/58/06/00/1008580600.db2.gz DKRHGWPIVVFPKX-JOCHJYFZSA-N 2 0 411.933 3.751 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000543020921 1008598814 /nfs/dbraw/zinc/59/88/14/1008598814.db2.gz JXACVNGTPYVCHL-HSZRJFAPSA-N 2 0 400.611 3.654 20 0 HHADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000549164577 1008735212 /nfs/dbraw/zinc/73/52/12/1008735212.db2.gz ICQLCCQGZPKXQF-RDPSFJRHSA-N 2 0 407.558 3.798 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000543235695 1008802812 /nfs/dbraw/zinc/80/28/12/1008802812.db2.gz WVDRMBFDGRTSLR-SFHVURJKSA-N 2 0 418.545 3.683 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000519442947 1008819072 /nfs/dbraw/zinc/81/90/72/1008819072.db2.gz MPNHQPPARUKJMA-UGKGYDQZSA-N 2 0 401.501 3.596 20 0 HHADRP Cc1cccc([C@H]2CC[N@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)c1 ZINC000543254272 1008821708 /nfs/dbraw/zinc/82/17/08/1008821708.db2.gz VZPKKLFGRLOYCE-QFIPXVFZSA-N 2 0 409.599 3.972 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000519450712 1008828942 /nfs/dbraw/zinc/82/89/42/1008828942.db2.gz HWZBFLMJNWIYHR-JOCHJYFZSA-N 2 0 400.542 3.510 20 0 HHADRP CC1=CC[N@H+](CCNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000545867438 1008956279 /nfs/dbraw/zinc/95/62/79/1008956279.db2.gz SWJPGFKOMCGWOG-UHFFFAOYSA-N 2 0 404.986 3.503 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543401833 1008994632 /nfs/dbraw/zinc/99/46/32/1008994632.db2.gz UZKGYSQIXCOXMM-HSZRJFAPSA-N 2 0 412.553 3.526 20 0 HHADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000543403724 1008997444 /nfs/dbraw/zinc/99/74/44/1008997444.db2.gz WUVUYFIXMSYPLP-XMMPIXPASA-N 2 0 413.631 3.932 20 0 HHADRP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463360 1009050864 /nfs/dbraw/zinc/05/08/64/1009050864.db2.gz KUBWUUJQIOGSQW-BFIGXIFHSA-N 2 0 402.579 3.711 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000519944964 1009096565 /nfs/dbraw/zinc/09/65/65/1009096565.db2.gz HGYRSKCFFBDPTA-FGZHOGPDSA-N 2 0 414.638 3.705 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549589718 1009216945 /nfs/dbraw/zinc/21/69/45/1009216945.db2.gz VNFCBHFJUBITAY-FCHUYYIVSA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000520056502 1009218041 /nfs/dbraw/zinc/21/80/41/1009218041.db2.gz CXTQESLYBCJVDZ-SFHVURJKSA-N 2 0 413.031 3.792 20 0 HHADRP Cc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)ccc1Cl ZINC000543626401 1009233196 /nfs/dbraw/zinc/23/31/96/1009233196.db2.gz AUDKRHKWZVIHDW-QGZVFWFLSA-N 2 0 424.010 3.729 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000520072133 1009234253 /nfs/dbraw/zinc/23/42/53/1009234253.db2.gz XHSHCXKYNIWGHW-QFIPXVFZSA-N 2 0 412.578 3.669 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111929 1009267804 /nfs/dbraw/zinc/26/78/04/1009267804.db2.gz MMKWHELHIVQRSA-KCZVDYSFSA-N 2 0 403.586 3.912 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130475 1009283901 /nfs/dbraw/zinc/28/39/01/1009283901.db2.gz HBYNKFXKCIUKKT-JTSKRJEESA-N 2 0 410.553 3.549 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000520130344 1009284193 /nfs/dbraw/zinc/28/41/93/1009284193.db2.gz VZWZRTQXFIGEEF-UHFFFAOYSA-N 2 0 409.018 3.925 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543683700 1009292873 /nfs/dbraw/zinc/29/28/73/1009292873.db2.gz CEGHVJVUQXVJBP-FYINFDKHSA-N 2 0 424.992 3.844 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543683699 1009292909 /nfs/dbraw/zinc/29/29/09/1009292909.db2.gz CEGHVJVUQXVJBP-FQELHTAISA-N 2 0 424.992 3.844 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707559 1009314068 /nfs/dbraw/zinc/31/40/68/1009314068.db2.gz BUZIUHDRWVZNFD-HXUWFJFHSA-N 2 0 406.368 3.749 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000520297895 1009422190 /nfs/dbraw/zinc/42/21/90/1009422190.db2.gz YEPVIHHVVQKPTP-OAQYLSRUSA-N 2 0 400.592 3.562 20 0 HHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549822497 1009432761 /nfs/dbraw/zinc/43/27/61/1009432761.db2.gz CLQODZCRNVIZSX-GOSISDBHSA-N 2 0 418.379 3.822 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000549858286 1009477753 /nfs/dbraw/zinc/47/77/53/1009477753.db2.gz LZPXCUJBSKCWTA-VGSWGCGISA-N 2 0 407.493 3.557 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000546658121 1009657679 /nfs/dbraw/zinc/65/76/79/1009657679.db2.gz AOQHSRNWRMXOIY-OAQYLSRUSA-N 2 0 413.528 3.742 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000520578643 1009658497 /nfs/dbraw/zinc/65/84/97/1009658497.db2.gz VUOCDASTXJTOET-GGAORHGYSA-N 2 0 400.611 3.879 20 0 HHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873444 1009835644 /nfs/dbraw/zinc/83/56/44/1009835644.db2.gz XFKQHXADEPOKGN-QGZVFWFLSA-N 2 0 422.411 3.684 20 0 HHADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H](C(C)C)[NH+]3CCCCCC3)CCCC2)CC1 ZINC000520788088 1009857920 /nfs/dbraw/zinc/85/79/20/1009857920.db2.gz QONFJULPGPJPLY-QFIPXVFZSA-N 2 0 422.658 3.610 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000520974071 1010016349 /nfs/dbraw/zinc/01/63/49/1010016349.db2.gz QQCVJICOOFOLGE-LJQANCHMSA-N 2 0 420.557 3.988 20 0 HHADRP O=S1(=O)CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000550882146 1010239015 /nfs/dbraw/zinc/23/90/15/1010239015.db2.gz IMSJEJHMGLMOTQ-QGZVFWFLSA-N 2 0 415.397 3.523 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000544622804 1010247409 /nfs/dbraw/zinc/24/74/09/1010247409.db2.gz UEIJPOCTXQQMEZ-WOJBJXKFSA-N 2 0 400.611 3.790 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005382 1010312558 /nfs/dbraw/zinc/31/25/58/1010312558.db2.gz KVNVOLXDKFEXAD-DEOSSOPVSA-N 2 0 409.574 3.852 20 0 HHADRP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547508241 1010333026 /nfs/dbraw/zinc/33/30/26/1010333026.db2.gz DOGLONPTPQVJMI-ZEYPLWLESA-N 2 0 419.548 3.899 20 0 HHADRP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@@H]1c1ccccc1 ZINC000551130100 1010390989 /nfs/dbraw/zinc/39/09/89/1010390989.db2.gz RZLGOGZSZDXCSZ-BJKOFHAPSA-N 2 0 406.574 3.631 20 0 HHADRP CN(C(=O)c1ccc2c[nH+]cn2c1)c1cccc(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000551161485 1010407162 /nfs/dbraw/zinc/40/71/62/1010407162.db2.gz AAVMJPBHTHDBSH-UHFFFAOYSA-N 2 0 410.437 3.511 20 0 HHADRP Cc1ccc(-n2cc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000551184755 1010425121 /nfs/dbraw/zinc/42/51/21/1010425121.db2.gz HIDHWCSQGSLVPK-FQEVSTJZSA-N 2 0 421.564 3.712 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827844 1010441302 /nfs/dbraw/zinc/44/13/02/1010441302.db2.gz IKFIANIAKSHWSE-HFSMHLIXSA-N 2 0 422.491 3.945 20 0 HHADRP C[NH+]1CCN(c2ccccc2-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)CC1 ZINC000544921422 1010494710 /nfs/dbraw/zinc/49/47/10/1010494710.db2.gz QGTYAFPXTHBXKO-UHFFFAOYSA-N 2 0 403.530 3.751 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687077 1010550842 /nfs/dbraw/zinc/55/08/42/1010550842.db2.gz IOTGQUPQGKBPSA-GOSISDBHSA-N 2 0 410.553 3.550 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000548333732 1010597851 /nfs/dbraw/zinc/59/78/51/1010597851.db2.gz OMSUXBRBCOKNJM-DEOSSOPVSA-N 2 0 400.611 3.803 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000521770406 1010604967 /nfs/dbraw/zinc/60/49/67/1010604967.db2.gz CPPASIHKLUSUIY-GOTSBHOMSA-N 2 0 400.611 3.505 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[NH+]1CC ZINC000521785517 1010616906 /nfs/dbraw/zinc/61/69/06/1010616906.db2.gz NHOHERAYIKLXDA-PKTZIBPZSA-N 2 0 415.626 3.732 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000521819296 1010639781 /nfs/dbraw/zinc/63/97/81/1010639781.db2.gz YSIZYACUKSKTNJ-SANMLTNESA-N 2 0 417.601 3.958 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cnc(OC)c(Cl)c3)cc2)CC1 ZINC000551542082 1010648881 /nfs/dbraw/zinc/64/88/81/1010648881.db2.gz XALBDQWOOOEOCN-KRWDZBQOSA-N 2 0 402.970 3.732 20 0 HHADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000521854926 1010664343 /nfs/dbraw/zinc/66/43/43/1010664343.db2.gz UEWQVOAQFCFAID-DEOSSOPVSA-N 2 0 412.622 3.995 20 0 HHADRP CCOc1c(OC)cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000551580403 1010674198 /nfs/dbraw/zinc/67/41/98/1010674198.db2.gz HKPYPODBMXYIKH-UHFFFAOYSA-N 2 0 414.546 3.865 20 0 HHADRP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000551585226 1010677969 /nfs/dbraw/zinc/67/79/69/1010677969.db2.gz BPXIIDMCDUCTEO-RDPSFJRHSA-N 2 0 423.601 3.727 20 0 HHADRP COc1cccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)c1 ZINC000548735873 1010718336 /nfs/dbraw/zinc/71/83/36/1010718336.db2.gz NIKAPPOUCFJSDK-XMMPIXPASA-N 2 0 407.558 3.858 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548773960 1010727320 /nfs/dbraw/zinc/72/73/20/1010727320.db2.gz CHJOINPLCKEZMH-VIRINCGLSA-N 2 0 408.586 3.942 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521991203 1010752920 /nfs/dbraw/zinc/75/29/20/1010752920.db2.gz UJFXOMIVROLMAE-WOJBJXKFSA-N 2 0 400.592 3.796 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000522029216 1010764603 /nfs/dbraw/zinc/76/46/03/1010764603.db2.gz OKIFZOMFCHWBHY-CTNGQTDRSA-N 2 0 414.619 3.780 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Cl)c1Cl ZINC000522130468 1010826444 /nfs/dbraw/zinc/82/64/44/1010826444.db2.gz YEUFPMQKUZTNKZ-UHFFFAOYSA-N 2 0 408.333 3.722 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000522276247 1010899889 /nfs/dbraw/zinc/89/98/89/1010899889.db2.gz WWJAVQHXIZELPN-VWLOTQADSA-N 2 0 420.601 3.923 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[NH+](C)C)cc1 ZINC000522408379 1010988638 /nfs/dbraw/zinc/98/86/38/1010988638.db2.gz BXBMFXBNZDTEMR-JOCHJYFZSA-N 2 0 414.619 3.871 20 0 HHADRP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421257 1010998491 /nfs/dbraw/zinc/99/84/91/1010998491.db2.gz RSCJVNVPKNZYMD-NYLDSWQDSA-N 2 0 418.651 3.866 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)C2)CC1 ZINC000522481664 1011038179 /nfs/dbraw/zinc/03/81/79/1011038179.db2.gz CKZPUKSVTCMHKG-FQEVSTJZSA-N 2 0 404.574 3.541 20 0 HHADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522727142 1011180402 /nfs/dbraw/zinc/18/04/02/1011180402.db2.gz MGKGAHABWANWEJ-LJQANCHMSA-N 2 0 421.545 3.743 20 0 HHADRP CCCN(CC1CCCCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522727817 1011180980 /nfs/dbraw/zinc/18/09/80/1011180980.db2.gz BZDCZOGJXVHSPS-UHFFFAOYSA-N 2 0 401.599 3.596 20 0 HHADRP CN(c1ccccc1C[NH2+]CCCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000540624572 1011274824 /nfs/dbraw/zinc/27/48/24/1011274824.db2.gz DDRRPRLYUXCAFT-UHFFFAOYSA-N 2 0 409.574 3.711 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285255 /nfs/dbraw/zinc/28/52/55/1011285255.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 2 0 418.585 3.927 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)CN1CC[NH+](C)CC1 ZINC000536302356 1011491126 /nfs/dbraw/zinc/49/11/26/1011491126.db2.gz LMIJSCFIFDZEHK-FZKQIMNGSA-N 2 0 400.792 3.563 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000540914110 1011582845 /nfs/dbraw/zinc/58/28/45/1011582845.db2.gz SOYWJLKUEYBTFN-QFQXNSOFSA-N 2 0 402.586 3.912 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919304 1011586481 /nfs/dbraw/zinc/58/64/81/1011586481.db2.gz VRLHYACCAGWFNP-DUXKGJEZSA-N 2 0 404.986 3.603 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000540919305 1011586992 /nfs/dbraw/zinc/58/69/92/1011586992.db2.gz VRLHYACCAGWFNP-IOMROCGXSA-N 2 0 404.986 3.603 20 0 HHADRP c1cc(NC2CC[NH+](C3CCCCC3)CC2)cc2[nH+]c(CCN3CCOCC3)[nH]c12 ZINC000540984564 1011617801 /nfs/dbraw/zinc/61/78/01/1011617801.db2.gz UPFRMHMRZJMABO-UHFFFAOYSA-N 2 0 411.594 3.647 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494037 1011703015 /nfs/dbraw/zinc/70/30/15/1011703015.db2.gz VNBNORYOLQTBJO-QKLQHJQFSA-N 2 0 410.965 3.598 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000541086016 1011727498 /nfs/dbraw/zinc/72/74/98/1011727498.db2.gz XNZYYHKIMUGWEF-JOCHJYFZSA-N 2 0 400.611 3.848 20 0 HHADRP Cn1c2cc(Cl)ccc2nc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536666593 1011820210 /nfs/dbraw/zinc/82/02/10/1011820210.db2.gz NLPPQFWCODGJKO-UHFFFAOYSA-N 2 0 418.029 3.855 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709759 1011881549 /nfs/dbraw/zinc/88/15/49/1011881549.db2.gz NGHSBGSOHZQETI-ROUUACIJSA-N 2 0 400.542 3.927 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709754 1011881617 /nfs/dbraw/zinc/88/16/17/1011881617.db2.gz NGHSBGSOHZQETI-HDICACEKSA-N 2 0 400.542 3.927 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1F ZINC000541215930 1011887494 /nfs/dbraw/zinc/88/74/94/1011887494.db2.gz NERINNRZISHJJO-UHFFFAOYSA-N 2 0 403.929 3.935 20 0 HHADRP Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000523447182 1011944877 /nfs/dbraw/zinc/94/48/77/1011944877.db2.gz ANDNOKGFSBYOOS-OALUTQOASA-N 2 0 404.599 3.813 20 0 HHADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccc2C1 ZINC000551813858 1011971312 /nfs/dbraw/zinc/97/13/12/1011971312.db2.gz KAPQSZYIOYLLHE-RUZDIDTESA-N 2 0 407.558 3.743 20 0 HHADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816791 1011973673 /nfs/dbraw/zinc/97/36/73/1011973673.db2.gz LDOQJGBVHCXOIB-SFHVURJKSA-N 2 0 411.546 3.675 20 0 HHADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000536851935 1012082508 /nfs/dbraw/zinc/08/25/08/1012082508.db2.gz MKBJQEIIFWTGIX-DCLXLUIPSA-N 2 0 409.574 3.873 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000536864925 1012101136 /nfs/dbraw/zinc/10/11/36/1012101136.db2.gz UZFCWUXAQYVPTL-IBGZPJMESA-N 2 0 403.979 3.958 20 0 HHADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000552161967 1012181793 /nfs/dbraw/zinc/18/17/93/1012181793.db2.gz AAAUPOAZJGNPPW-UHFFFAOYSA-N 2 0 416.451 3.650 20 0 HHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000552275959 1012289664 /nfs/dbraw/zinc/28/96/64/1012289664.db2.gz GJFQBCSQDFWQKK-KPJVPSPYSA-N 2 0 411.634 3.645 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537018242 1012322850 /nfs/dbraw/zinc/32/28/50/1012322850.db2.gz POIDSTNQEVAPJZ-ZWOKBUDYSA-N 2 0 417.500 3.718 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000523858618 1012555383 /nfs/dbraw/zinc/55/53/83/1012555383.db2.gz ULZZOGMNXBFASO-OAHLLOKOSA-N 2 0 422.545 3.576 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000523881496 1012582448 /nfs/dbraw/zinc/58/24/48/1012582448.db2.gz XMRXOKIKVMWJEN-SFHVURJKSA-N 2 0 406.640 3.770 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000541780784 1012650190 /nfs/dbraw/zinc/65/01/90/1012650190.db2.gz RXIJUBYGSCDMMA-UGKGYDQZSA-N 2 0 416.610 3.594 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000523940631 1012674449 /nfs/dbraw/zinc/67/44/49/1012674449.db2.gz SKYGVCJKMGTBBG-VXKWHMMOSA-N 2 0 412.578 3.889 20 0 HHADRP C[NH+]1CCC[C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537271840 1012725122 /nfs/dbraw/zinc/72/51/22/1012725122.db2.gz CACOCYSTFFGXSX-UYAOXDASSA-N 2 0 424.511 3.649 20 0 HHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C12CCCCC2 ZINC000537295632 1012753626 /nfs/dbraw/zinc/75/36/26/1012753626.db2.gz NEYFVWLXEJKDLA-YTFSRNRJSA-N 2 0 413.606 3.601 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000541889035 1012756588 /nfs/dbraw/zinc/75/65/88/1012756588.db2.gz KTHFGKJKZJJUGZ-QTDJFWLRSA-N 2 0 407.602 3.776 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000541917955 1012775916 /nfs/dbraw/zinc/77/59/16/1012775916.db2.gz IWYPUPGLARFMNX-QGDZQMKYSA-N 3 0 407.602 3.644 20 0 HHADRP CCOc1cc2[nH+]ccc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2cc1OCC ZINC000541932996 1012793760 /nfs/dbraw/zinc/79/37/60/1012793760.db2.gz DHEGCGMUPZOZSR-HXUWFJFHSA-N 2 0 421.541 3.633 20 0 HHADRP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954088 1012939791 /nfs/dbraw/zinc/93/97/91/1012939791.db2.gz VHZZOVUVNHAKDV-SZPZYZBQSA-N 2 0 414.594 3.929 20 0 HHADRP C[C@@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000542041171 1012943194 /nfs/dbraw/zinc/94/31/94/1012943194.db2.gz KZDKTUWSZVFSML-AYTXKQBHSA-N 2 0 420.644 3.799 20 0 HHADRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000542053282 1012963912 /nfs/dbraw/zinc/96/39/12/1012963912.db2.gz KWKYHRLDXNXVNY-WKYQYSKKSA-N 2 0 406.617 3.553 20 0 HHADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001687421520 1071903615 /nfs/dbraw/zinc/90/36/15/1071903615.db2.gz LYJLUPDZJHCQLZ-BJKOFHAPSA-N 2 0 412.622 3.947 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000569776941 1072048106 /nfs/dbraw/zinc/04/81/06/1072048106.db2.gz MNCUPMLKSUPZTQ-HDICACEKSA-N 2 0 413.537 3.862 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2cc1OCC ZINC000488206850 1072126948 /nfs/dbraw/zinc/12/69/48/1072126948.db2.gz AHBMNPQQHKYQLY-IBGZPJMESA-N 2 0 412.578 3.639 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000611684652 1072148325 /nfs/dbraw/zinc/14/83/25/1072148325.db2.gz XMXFXASHWKMRSF-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cn3c4ccccc4nc3SC(F)F)CC2)CC1 ZINC000760286242 1072184355 /nfs/dbraw/zinc/18/43/55/1072184355.db2.gz JEJPGJINGGCMNY-UHFFFAOYSA-N 2 0 423.577 3.799 20 0 HHADRP C[NH+]1CCC(CNC(=S)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000760488039 1072388975 /nfs/dbraw/zinc/38/89/75/1072388975.db2.gz WHFBUOPAZWCFPS-HXUWFJFHSA-N 2 0 409.043 3.500 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC001168305156 1072475398 /nfs/dbraw/zinc/47/53/98/1072475398.db2.gz JRPVEGCZTWGPKO-UHFFFAOYSA-N 2 0 408.384 3.516 20 0 HHADRP COC(=O)c1ccc([C@H](C[NH2+]C2CCC([NH+](C)C)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001168314333 1072493970 /nfs/dbraw/zinc/49/39/70/1072493970.db2.gz FACMNTZSGUSUDS-MHJFOBGBSA-N 2 0 419.566 3.501 20 0 HHADRP CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001691592989 1072507405 /nfs/dbraw/zinc/50/74/05/1072507405.db2.gz VCYUQTSZJLWZQV-OAQYLSRUSA-N 2 0 402.631 3.587 20 0 HHADRP [NH3+]CCCOCCOCCOCCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168336978 1072514621 /nfs/dbraw/zinc/51/46/21/1072514621.db2.gz JWNYOWBCZVZGAD-UHFFFAOYSA-N 2 0 413.002 3.745 20 0 HHADRP CNC(=O)N[C@@H]1CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccc(C)cc21 ZINC001168377941 1072531682 /nfs/dbraw/zinc/53/16/82/1072531682.db2.gz OLNNEWCJRXROCK-HSZRJFAPSA-N 2 0 410.606 3.577 20 0 HHADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910391 1072957631 /nfs/dbraw/zinc/95/76/31/1072957631.db2.gz IOMPFTHGGKVBOR-HXUWFJFHSA-N 2 0 404.558 3.906 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000588708726 1073154518 /nfs/dbraw/zinc/15/45/18/1073154518.db2.gz DEKHBPPFQCZHQL-NHCUHLMSSA-N 2 0 415.622 3.635 20 0 HHADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000555209931 1073250180 /nfs/dbraw/zinc/25/01/80/1073250180.db2.gz NZCNTYYYUVQGHC-SFTDATJTSA-N 2 0 423.601 3.840 20 0 HHADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597053 /nfs/dbraw/zinc/59/70/53/1073597053.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 2 0 403.570 3.747 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000555597337 1073662068 /nfs/dbraw/zinc/66/20/68/1073662068.db2.gz FHNSVRDOGMZNPS-LGPLSSKUSA-N 2 0 408.586 3.880 20 0 HHADRP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000555597335 1073662324 /nfs/dbraw/zinc/66/23/24/1073662324.db2.gz FHNSVRDOGMZNPS-DMDYGQEQSA-N 2 0 408.586 3.880 20 0 HHADRP COC(=O)c1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC001142639718 1073706931 /nfs/dbraw/zinc/70/69/31/1073706931.db2.gz VEZBJKXPBILOHH-UHFFFAOYSA-N 2 0 412.530 3.712 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)c2)CC1 ZINC000590353051 1073756951 /nfs/dbraw/zinc/75/69/51/1073756951.db2.gz FWIPSLLWSUMPBF-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP COc1cc(NC(=O)CC[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)cc1Cl ZINC000555900319 1073950688 /nfs/dbraw/zinc/95/06/88/1073950688.db2.gz OFHSNIHPUULAAH-HZPDHXFCSA-N 2 0 411.974 3.643 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591100113 1074116477 /nfs/dbraw/zinc/11/64/77/1074116477.db2.gz LNTQWJJCZPMSAL-SFTDATJTSA-N 2 0 401.595 3.790 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000591554619 1074404117 /nfs/dbraw/zinc/40/41/17/1074404117.db2.gz AYRFBQCSULRWQS-RTWAWAEBSA-N 2 0 400.611 3.838 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591557804 1074406262 /nfs/dbraw/zinc/40/62/62/1074406262.db2.gz YDKYCDIHVVRKRQ-LEWJYISDSA-N 2 0 404.986 3.747 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000591617444 1074444055 /nfs/dbraw/zinc/44/40/55/1074444055.db2.gz QZAHRHQJHBKFTO-QHCPKHFHSA-N 2 0 400.611 3.660 20 0 HHADRP O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592322995 1074715395 /nfs/dbraw/zinc/71/53/95/1074715395.db2.gz GNGLZXXHPGEEAK-RUZDIDTESA-N 2 0 405.586 3.853 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000574101984 1075167288 /nfs/dbraw/zinc/16/72/88/1075167288.db2.gz RWKHMKCEABRFFP-UFOFSCLASA-N 2 0 408.586 3.942 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000593500471 1075205013 /nfs/dbraw/zinc/20/50/13/1075205013.db2.gz QHEBZBWXPVAJFQ-HSZRJFAPSA-N 2 0 410.562 3.976 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)ccn2)CC1 ZINC000574469594 1075250739 /nfs/dbraw/zinc/25/07/39/1075250739.db2.gz MLSAUHNOUWMJED-UHFFFAOYSA-N 2 0 413.978 3.900 20 0 HHADRP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470516 1075250773 /nfs/dbraw/zinc/25/07/73/1075250773.db2.gz RWCBJLKCQRWNOJ-ROUUACIJSA-N 2 0 404.576 3.832 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1OC ZINC000594252341 1075271759 /nfs/dbraw/zinc/27/17/59/1075271759.db2.gz SDUXTTPLMDIISQ-HXUWFJFHSA-N 2 0 418.582 3.508 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000594218798 1075273895 /nfs/dbraw/zinc/27/38/95/1075273895.db2.gz LGPCIRDZPGHALT-IBGZPJMESA-N 2 0 420.001 3.574 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597205400 1075633938 /nfs/dbraw/zinc/63/39/38/1075633938.db2.gz TYPCWQWUYFHPGG-RTWAWAEBSA-N 2 0 402.583 3.760 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886122 1075724413 /nfs/dbraw/zinc/72/44/13/1075724413.db2.gz NLYICHZNBUWONR-JWQCQUIFSA-N 2 0 420.601 3.807 20 0 HHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC(=O)c5ccc(F)cc54)CC3)c2)CC1 ZINC001164423266 718938953 /nfs/dbraw/zinc/93/89/53/718938953.db2.gz FZRVNYWCFQDVKC-UHFFFAOYSA-N 2 0 409.505 3.818 20 0 HHADRP Fc1cccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164646746 719297320 /nfs/dbraw/zinc/29/73/20/719297320.db2.gz BOXRPSMFUOQWQW-LADGPHEKSA-N 2 0 410.537 3.866 20 0 HHADRP C[N@H+](Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646398 719297325 /nfs/dbraw/zinc/29/73/25/719297325.db2.gz BEERFEIBVOXOEW-VWNXMTODSA-N 2 0 410.537 3.864 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164713049 720129227 /nfs/dbraw/zinc/12/92/27/720129227.db2.gz PNIWFSAKQIHASK-HSZRJFAPSA-N 2 0 421.589 3.584 20 0 HHADRP Cc1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754499 720871316 /nfs/dbraw/zinc/87/13/16/720871316.db2.gz RYJDYAAFBJLMHS-UKILVPOCSA-N 2 0 406.574 3.849 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235037 /nfs/dbraw/zinc/23/50/37/721235037.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 2 0 422.621 3.710 20 0 HHADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc3[nH]ccc31)CC2 ZINC001164782767 721461511 /nfs/dbraw/zinc/46/15/11/721461511.db2.gz BQIKOLBWBQLVQZ-HXUWFJFHSA-N 2 0 412.578 3.605 20 0 HHADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)CC2 ZINC001164786697 721464674 /nfs/dbraw/zinc/46/46/74/721464674.db2.gz PFJJHIWTYUYCDC-FQEVSTJZSA-N 2 0 412.578 3.605 20 0 HHADRP Cc1cc(N2CCCC2)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165023328 721798179 /nfs/dbraw/zinc/79/81/79/721798179.db2.gz JMVKOGLXRJVCGQ-BVSLBCMMSA-N 2 0 406.578 3.517 20 0 HHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164939152 721929191 /nfs/dbraw/zinc/92/91/91/721929191.db2.gz JKJJWOJTQAJZAK-UHFFFAOYSA-N 2 0 406.574 3.862 20 0 HHADRP OC[C@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)ncn2)C1 ZINC000301245434 970829369 /nfs/dbraw/zinc/82/93/69/970829369.db2.gz PVAYKCHGFGAEIO-FQEVSTJZSA-N 2 0 409.578 3.673 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000303011472 971452921 /nfs/dbraw/zinc/45/29/21/971452921.db2.gz OUWUOBACPOXMOY-TXTKFYIRSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000303211863 971563448 /nfs/dbraw/zinc/56/34/48/971563448.db2.gz OYFXEGAYAGWFKM-ZDXQCDESSA-N 2 0 414.638 3.608 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303424380 971705508 /nfs/dbraw/zinc/70/55/08/971705508.db2.gz AGTCAPCKCPJKHP-WVUPVLJSSA-N 2 0 422.573 3.911 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303467187 971769969 /nfs/dbraw/zinc/76/99/69/971769969.db2.gz IDRRSYOHKZVLTG-NRFANRHFSA-N 2 0 423.601 3.586 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000303505256 971804963 /nfs/dbraw/zinc/80/49/63/971804963.db2.gz VRFQEVVIGOQEEW-CWAQXLGLSA-N 2 0 412.622 3.993 20 0 HHADRP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCc2ccccc2C1 ZINC000303588177 971880617 /nfs/dbraw/zinc/88/06/17/971880617.db2.gz RCQULTZANLUMHN-QHCPKHFHSA-N 2 0 409.599 3.663 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649381 1013210749 /nfs/dbraw/zinc/21/07/49/1013210749.db2.gz JSRQZANKYSIBTO-DEOSSOPVSA-N 2 0 419.573 3.867 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C[C@@H](C)O1 ZINC000537661110 1013221970 /nfs/dbraw/zinc/22/19/70/1013221970.db2.gz MAWMZTZCSZEZCE-QZTJIDSGSA-N 2 0 400.592 3.916 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)C1 ZINC000553314363 1013267523 /nfs/dbraw/zinc/26/75/23/1013267523.db2.gz IKXLSKFPLJGEPS-AUSIDOKSSA-N 2 0 415.647 3.752 20 0 HHADRP Cc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316193 1013272598 /nfs/dbraw/zinc/27/25/98/1013272598.db2.gz PXOVGQLMDAAJSR-ZJSXRUAMSA-N 2 0 405.586 3.954 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553391353 1013322432 /nfs/dbraw/zinc/32/24/32/1013322432.db2.gz VEXPIPJBMAPCAX-HSZRJFAPSA-N 2 0 415.647 3.896 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000537777173 1013340108 /nfs/dbraw/zinc/34/01/08/1013340108.db2.gz DVTNCOAMHHYSQT-INIZCTEOSA-N 2 0 420.388 3.509 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542395497 1013349056 /nfs/dbraw/zinc/34/90/56/1013349056.db2.gz XVKXJCWWTPWYGC-UBFVSLLYSA-N 2 0 421.585 3.642 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537812354 1013375166 /nfs/dbraw/zinc/37/51/66/1013375166.db2.gz SBZZIXGMPJRYAH-QHCPKHFHSA-N 2 0 421.589 3.604 20 0 HHADRP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537845156 1013408901 /nfs/dbraw/zinc/40/89/01/1013408901.db2.gz GBRPJYTUTAVSDP-UHFFFAOYSA-N 2 0 420.557 3.696 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000553513598 1013413456 /nfs/dbraw/zinc/41/34/56/1013413456.db2.gz LIXLYYZKAJEYNK-DENIHFKCSA-N 2 0 407.668 3.707 20 0 HHADRP C[C@H](CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000537875856 1013452086 /nfs/dbraw/zinc/45/20/86/1013452086.db2.gz QDFNGEGZNRQOBL-HXUWFJFHSA-N 2 0 409.578 3.508 20 0 HHADRP C[C@@H](CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000537875855 1013452223 /nfs/dbraw/zinc/45/22/23/1013452223.db2.gz QDFNGEGZNRQOBL-FQEVSTJZSA-N 2 0 409.578 3.508 20 0 HHADRP CCC[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000553555724 1013452906 /nfs/dbraw/zinc/45/29/06/1013452906.db2.gz AVTWULYFWLKBQE-GOTSBHOMSA-N 2 0 415.647 3.717 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1OC ZINC000048816606 964065304 /nfs/dbraw/zinc/06/53/04/964065304.db2.gz YXSDZKPMZXXQLV-HDICACEKSA-N 2 0 414.546 3.611 20 0 HHADRP Cn1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028323610 965075048 /nfs/dbraw/zinc/07/50/48/965075048.db2.gz XYDWDWUOEINPME-UHFFFAOYSA-N 2 0 420.557 3.860 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Br ZINC000537973579 1013550218 /nfs/dbraw/zinc/55/02/18/1013550218.db2.gz QWKXVAXSMMMECA-FQEVSTJZSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975620 1013552020 /nfs/dbraw/zinc/55/20/20/1013552020.db2.gz WMWYMRQZYBDNMC-WMZOPIPTSA-N 2 0 401.938 3.737 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000537979301 1013555328 /nfs/dbraw/zinc/55/53/28/1013555328.db2.gz AMRQBCDTIVCDTR-IEGUWTFLSA-N 2 0 411.546 3.645 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043498 965368672 /nfs/dbraw/zinc/36/86/72/965368672.db2.gz HIXAHWABTCZHCL-XMMPIXPASA-N 2 0 406.574 3.787 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000029656829 965448825 /nfs/dbraw/zinc/44/88/25/965448825.db2.gz LDRSCPMOJMWYQO-JOCHJYFZSA-N 2 0 410.562 3.902 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCCOc1ccccc1 ZINC000029855571 965528094 /nfs/dbraw/zinc/52/80/94/965528094.db2.gz ZQCJNWQCUUMFML-NRFANRHFSA-N 2 0 409.574 3.557 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054920603 965700181 /nfs/dbraw/zinc/70/01/81/965700181.db2.gz VWZPTVIFTDOZGW-NRFANRHFSA-N 2 0 412.603 3.980 20 0 HHADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000030664348 965760649 /nfs/dbraw/zinc/76/06/49/965760649.db2.gz UPUMIFVDKGEYMW-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000030665166 965761042 /nfs/dbraw/zinc/76/10/42/965761042.db2.gz FTOOAAXPJYYRHE-QHCPKHFHSA-N 2 0 421.589 3.802 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031090027 965892169 /nfs/dbraw/zinc/89/21/69/965892169.db2.gz CNRFRWHWJSBFIJ-UHFFFAOYSA-N 2 0 420.601 3.657 20 0 HHADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000059951633 966044907 /nfs/dbraw/zinc/04/49/07/966044907.db2.gz KFMDDUAUBQRQBM-UHFFFAOYSA-N 2 0 419.573 4.226 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000542713852 1013625928 /nfs/dbraw/zinc/62/59/28/1013625928.db2.gz LOTHZLGYEFLJQT-FQEVSTJZSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058378 1013635000 /nfs/dbraw/zinc/63/50/00/1013635000.db2.gz AIDKONYGMWQVMI-OTWHNJEPSA-N 2 0 415.603 3.663 20 0 HHADRP CC[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061142087 966380284 /nfs/dbraw/zinc/38/02/84/966380284.db2.gz ZKRJWCNMMXDGMF-YADHBBJMSA-N 2 0 410.562 3.553 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061229585 966403547 /nfs/dbraw/zinc/40/35/47/966403547.db2.gz OOWKOAFAVWLQBP-XMMPIXPASA-N 2 0 406.574 3.919 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553466 966499231 /nfs/dbraw/zinc/49/92/31/966499231.db2.gz NMBJGMWCTKKHAT-UHFFFAOYSA-N 2 0 420.601 3.920 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056935741 966519797 /nfs/dbraw/zinc/51/97/97/966519797.db2.gz MVNININSYHSPPI-QFIPXVFZSA-N 2 0 416.516 3.531 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000056937872 966522430 /nfs/dbraw/zinc/52/24/30/966522430.db2.gz YFCDEWABYUJYDJ-UXHICEINSA-N 2 0 402.514 3.548 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061792179 966555498 /nfs/dbraw/zinc/55/54/98/966555498.db2.gz FBIKLYJNSZQLIZ-UHFFFAOYSA-N 2 0 418.651 3.912 20 0 HHADRP CC1(C)CC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC(C)(C)[NH2+]1 ZINC000061792677 966556537 /nfs/dbraw/zinc/55/65/37/966556537.db2.gz IFZOUDSNHUVLPH-UHFFFAOYSA-N 2 0 404.624 3.709 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000061792241 966556872 /nfs/dbraw/zinc/55/68/72/966556872.db2.gz VIYGHTADHCBHQF-HXUWFJFHSA-N 2 0 418.651 3.912 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccsc1 ZINC000061793561 966557672 /nfs/dbraw/zinc/55/76/72/966557672.db2.gz SGOFASNUMYHNLT-HXUWFJFHSA-N 2 0 418.632 3.764 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062252799 966632052 /nfs/dbraw/zinc/63/20/52/966632052.db2.gz DHSBGPNLOTWWOP-HOTGVXAUSA-N 2 0 406.521 3.746 20 0 HHADRP C[N@H+](CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063145321 966760894 /nfs/dbraw/zinc/76/08/94/966760894.db2.gz UKYMHAABJSCZPZ-UHFFFAOYSA-N 2 0 410.631 3.637 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)c1 ZINC000064229305 967094645 /nfs/dbraw/zinc/09/46/45/967094645.db2.gz IOIUNZIXNSAIQJ-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000064251261 967105576 /nfs/dbraw/zinc/10/55/76/967105576.db2.gz VFNOIJTZWCSWNP-UHFFFAOYSA-N 2 0 404.624 3.620 20 0 HHADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000044277102 967180102 /nfs/dbraw/zinc/18/01/02/967180102.db2.gz KUGVJYXRWCRFEH-OALUTQOASA-N 2 0 410.562 3.679 20 0 HHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000542848112 1013707303 /nfs/dbraw/zinc/70/73/03/1013707303.db2.gz HQDFZAORUCPGBC-DFBJGRDBSA-N 2 0 404.558 3.988 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045182340 967371777 /nfs/dbraw/zinc/37/17/77/967371777.db2.gz OBJGEHWOZGXIER-UHFFFAOYSA-N 2 0 419.013 3.822 20 0 HHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)cc2)c1 ZINC000065428756 967461088 /nfs/dbraw/zinc/46/10/88/967461088.db2.gz RMVPGGBHXFGEBI-UHFFFAOYSA-N 2 0 413.562 3.612 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[NH+](C)C)cc1 ZINC000065468557 967482428 /nfs/dbraw/zinc/48/24/28/967482428.db2.gz SZNSCJPXYJHFHY-QHCPKHFHSA-N 2 0 412.553 3.701 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000065470353 967483338 /nfs/dbraw/zinc/48/33/38/967483338.db2.gz CAXBREXZYUGFTN-RPWUZVMVSA-N 2 0 424.589 3.743 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000065477747 967485796 /nfs/dbraw/zinc/48/57/96/967485796.db2.gz XNFLOROJRREWTH-SFHVURJKSA-N 2 0 407.002 3.724 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000065522834 967506511 /nfs/dbraw/zinc/50/65/11/967506511.db2.gz NZVIUHVTZOYROA-URXFXBBRSA-N 2 0 408.590 3.638 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000065526718 967508587 /nfs/dbraw/zinc/50/85/87/967508587.db2.gz VYLSWQHMNUWFBH-BGYRXZFFSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000046129411 967670477 /nfs/dbraw/zinc/67/04/77/967670477.db2.gz XBXBKVXKCPMGMB-NHCUHLMSSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)c(C)n2n1 ZINC000538192750 1013750549 /nfs/dbraw/zinc/75/05/49/1013750549.db2.gz CFPBTPRPVZPSOQ-IBGZPJMESA-N 2 0 407.562 3.714 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCCn2cc(C)cn2)CC1 ZINC000538211186 1013764322 /nfs/dbraw/zinc/76/43/22/1013764322.db2.gz QZHNUPZJSRVQAF-FQEVSTJZSA-N 2 0 401.574 3.994 20 0 HHADRP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc2c1 ZINC000047969525 968380375 /nfs/dbraw/zinc/38/03/75/968380375.db2.gz BSXJKXJGARRVTM-UHFFFAOYSA-N 2 0 409.574 3.615 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000108450937 969385898 /nfs/dbraw/zinc/38/58/98/969385898.db2.gz ZKYBROGQMJNBBD-HXUWFJFHSA-N 2 0 418.582 3.798 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000111071368 969771671 /nfs/dbraw/zinc/77/16/71/969771671.db2.gz ANIXOTMOHJJCSL-RUZDIDTESA-N 2 0 422.617 3.523 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1)C(C)C ZINC000111096653 969776607 /nfs/dbraw/zinc/77/66/07/969776607.db2.gz ZMYNAXDLRQISDR-UHFFFAOYSA-N 2 0 423.601 3.804 20 0 HHADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437546 969894675 /nfs/dbraw/zinc/89/46/75/969894675.db2.gz JCHMGWDMCOONHP-JOCHJYFZSA-N 2 0 424.614 3.790 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000554350076 1013918501 /nfs/dbraw/zinc/91/85/01/1013918501.db2.gz ZAGUJOKGKPPEGF-JOCHJYFZSA-N 2 0 418.589 3.516 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000195746430 969997842 /nfs/dbraw/zinc/99/78/42/969997842.db2.gz SALDQYMLCWXCDR-DNQXCXABSA-N 2 0 408.590 3.604 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000195746428 969998158 /nfs/dbraw/zinc/99/81/58/969998158.db2.gz SALDQYMLCWXCDR-BJKOFHAPSA-N 2 0 408.590 3.604 20 0 HHADRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)CC1 ZINC000139851909 970049326 /nfs/dbraw/zinc/04/93/26/970049326.db2.gz NUWIBIMVOYPQMF-FQEVSTJZSA-N 2 0 409.496 3.550 20 0 HHADRP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000236633652 970150349 /nfs/dbraw/zinc/15/03/49/970150349.db2.gz LWMUAXNVGVNHCE-SFHVURJKSA-N 2 0 404.002 3.622 20 0 HHADRP CC(C)COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236718298 970162278 /nfs/dbraw/zinc/16/22/78/970162278.db2.gz LVJXQZOYQGTXAW-QHCPKHFHSA-N 2 0 409.574 3.709 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c2cccs2)CC1 ZINC000236730157 970164249 /nfs/dbraw/zinc/16/42/49/970164249.db2.gz FEMLAUYNBFHXMJ-OAQYLSRUSA-N 2 0 411.615 3.959 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000236801021 970174857 /nfs/dbraw/zinc/17/48/57/970174857.db2.gz OWSFWLUALMWEOH-RUZDIDTESA-N 2 0 411.590 3.829 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236838025 970178422 /nfs/dbraw/zinc/17/84/22/970178422.db2.gz OGDRBWPVBKRFTR-UHFFFAOYSA-N 2 0 409.622 3.732 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236839121 970178506 /nfs/dbraw/zinc/17/85/06/970178506.db2.gz BMOQWGVHAVRNJU-UHFFFAOYSA-N 2 0 403.574 3.657 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236864906 970182032 /nfs/dbraw/zinc/18/20/32/970182032.db2.gz PPJVELHZMQLFHY-OXJNMPFZSA-N 2 0 423.395 3.952 20 0 HHADRP CCc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000237096642 970221464 /nfs/dbraw/zinc/22/14/64/970221464.db2.gz AJPPLEDTHGHJJJ-FQEVSTJZSA-N 2 0 405.542 3.982 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000237167696 970234454 /nfs/dbraw/zinc/23/44/54/970234454.db2.gz BTIOJXMNGLCCKU-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP COc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000237189019 970238086 /nfs/dbraw/zinc/23/80/86/970238086.db2.gz CXXMNFDPROWCIS-HSZRJFAPSA-N 2 0 411.590 3.636 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H](C)O1 ZINC000237404774 970278977 /nfs/dbraw/zinc/27/89/77/970278977.db2.gz GYAQZGFDVRFXHH-RTBURBONSA-N 2 0 417.594 3.963 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000237421508 970282418 /nfs/dbraw/zinc/28/24/18/970282418.db2.gz WMWVKMKVLAWZTO-IBGZPJMESA-N 2 0 423.992 3.918 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237500796 970302694 /nfs/dbraw/zinc/30/26/94/970302694.db2.gz DAJDJQRHZGEPNW-KRWDZBQOSA-N 2 0 404.002 3.684 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000237570722 970315321 /nfs/dbraw/zinc/31/53/21/970315321.db2.gz VXVGZZKNEVIAHM-MRXNPFEDSA-N 2 0 424.420 3.520 20 0 HHADRP C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)CN1CC[NH+](C)CC1 ZINC000237585815 970316656 /nfs/dbraw/zinc/31/66/56/970316656.db2.gz ALMAQIQIRIITMI-LJQANCHMSA-N 2 0 401.982 3.892 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237665461 970334052 /nfs/dbraw/zinc/33/40/52/970334052.db2.gz KBFDLRQXGUJDFG-OAQYLSRUSA-N 2 0 403.574 3.573 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000237677673 970336858 /nfs/dbraw/zinc/33/68/58/970336858.db2.gz KEBNZURZTUXUFW-UHFFFAOYSA-N 2 0 417.557 3.501 20 0 HHADRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237756687 970355935 /nfs/dbraw/zinc/35/59/35/970355935.db2.gz VDMJDHPTSMDEIU-UHFFFAOYSA-N 2 0 412.578 3.994 20 0 HHADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000554587373 1013984552 /nfs/dbraw/zinc/98/45/52/1013984552.db2.gz RHXHOVOPSCLQQD-QFIPXVFZSA-N 2 0 404.551 3.640 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237939900 970399695 /nfs/dbraw/zinc/39/96/95/970399695.db2.gz BDWHYCADNFEKEC-DEOSSOPVSA-N 2 0 420.601 3.664 20 0 HHADRP Cc1ccc(O)c(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000237940594 970400955 /nfs/dbraw/zinc/40/09/55/970400955.db2.gz PKKNFFMHDXQSNE-UHFFFAOYSA-N 2 0 402.542 3.708 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150167391 970431851 /nfs/dbraw/zinc/43/18/51/970431851.db2.gz JABBRJGDXVNUKU-OAQYLSRUSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000252143648 970554579 /nfs/dbraw/zinc/55/45/79/970554579.db2.gz NORWNGWKGLUMOS-HSALFYBXSA-N 2 0 406.640 3.942 20 0 HHADRP Brc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506253 972627012 /nfs/dbraw/zinc/62/70/12/972627012.db2.gz MRWJUTNPVCQYJT-KRWDZBQOSA-N 2 0 417.347 3.832 20 0 HHADRP OC1(C[NH2+]Cc2cc(F)cc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397586518 972872174 /nfs/dbraw/zinc/87/21/74/972872174.db2.gz JIKKVNYINAHPIE-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000410316023 973860137 /nfs/dbraw/zinc/86/01/37/973860137.db2.gz CQRIFNSXABIJFU-QHCPKHFHSA-N 2 0 400.611 3.769 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000410328046 973892669 /nfs/dbraw/zinc/89/26/69/973892669.db2.gz UFFZQAKNYPKBRY-NRFANRHFSA-N 2 0 420.601 3.705 20 0 HHADRP CC[N@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CCC(F)(F)F ZINC000425986658 974098160 /nfs/dbraw/zinc/09/81/60/974098160.db2.gz GHQRYZGXMNLFPE-UHFFFAOYSA-N 2 0 414.516 3.567 20 0 HHADRP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C3CCOCC3)c1)C2 ZINC000426059779 974181802 /nfs/dbraw/zinc/18/18/02/974181802.db2.gz FVNAVIRIOHPFRG-QFIPXVFZSA-N 2 0 424.585 3.832 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000426774691 974650847 /nfs/dbraw/zinc/65/08/47/974650847.db2.gz PNXJRKMMIWHWBL-ROUUACIJSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775679 974651593 /nfs/dbraw/zinc/65/15/93/974651593.db2.gz UERWOPULXFNWHJ-IAGOWNOFSA-N 2 0 422.411 3.745 20 0 HHADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426789517 974661025 /nfs/dbraw/zinc/66/10/25/974661025.db2.gz VMXZNZHGYQSZIO-SELNLUPBSA-N 2 0 417.594 3.624 20 0 HHADRP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000426795560 974666046 /nfs/dbraw/zinc/66/60/46/974666046.db2.gz XYLSJIMAARJIQT-DXBBTUNJSA-N 2 0 415.622 3.506 20 0 HHADRP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426813954 974680174 /nfs/dbraw/zinc/68/01/74/974680174.db2.gz AXWQEWURLWSFMJ-HSALFYBXSA-N 2 0 424.589 3.773 20 0 HHADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940583 975359679 /nfs/dbraw/zinc/35/96/79/975359679.db2.gz DNJGSNLNLKIZAT-QFIPXVFZSA-N 2 0 409.578 3.697 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428328244 975635588 /nfs/dbraw/zinc/63/55/88/975635588.db2.gz XUDFIKBIRDRBPK-WOJBJXKFSA-N 2 0 412.622 3.838 20 0 HHADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000428390601 975711451 /nfs/dbraw/zinc/71/14/51/975711451.db2.gz OOXDRDKQHOVBRG-UHFFFAOYSA-N 2 0 406.574 3.742 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428638246 975939969 /nfs/dbraw/zinc/93/99/69/975939969.db2.gz FVYBAYNKDMDTLY-MQSCRBSSSA-N 2 0 400.611 3.993 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000428719981 976008300 /nfs/dbraw/zinc/00/83/00/976008300.db2.gz QKDVGCMEHNUDRS-GMAHTHKFSA-N 2 0 415.622 3.542 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428872300 976161417 /nfs/dbraw/zinc/16/14/17/976161417.db2.gz MKPBEYZBNKZIIW-YFXJRYMSSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428872299 976161531 /nfs/dbraw/zinc/16/15/31/976161531.db2.gz MKPBEYZBNKZIIW-SXSPYAJSSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428872298 976161710 /nfs/dbraw/zinc/16/17/10/976161710.db2.gz MKPBEYZBNKZIIW-LEOXJPRUSA-N 2 0 412.553 3.781 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079310 976364328 /nfs/dbraw/zinc/36/43/28/976364328.db2.gz AGZYRCAIKPQHBB-QPPBQGQZSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000429431555 976709982 /nfs/dbraw/zinc/70/99/82/976709982.db2.gz NQSKTQPIJWANLM-HNNXBMFYSA-N 2 0 410.967 3.535 20 0 HHADRP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439663 976718304 /nfs/dbraw/zinc/71/83/04/976718304.db2.gz FMYDQOSZZHNNNW-SQJMNOBHSA-N 2 0 411.590 3.569 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429678934 976975459 /nfs/dbraw/zinc/97/54/59/976975459.db2.gz BLPJKEPHOIHEND-FTJBHMTQSA-N 2 0 407.602 3.731 20 0 HHADRP COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000429812034 977086237 /nfs/dbraw/zinc/08/62/37/977086237.db2.gz VLWVORVACBMDRJ-HXUWFJFHSA-N 2 0 409.574 3.716 20 0 HHADRP c1nnn(Cc2ccccc2)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000430239354 977411604 /nfs/dbraw/zinc/41/16/04/977411604.db2.gz LUFCSZSKBYROLS-UHFFFAOYSA-N 2 0 401.558 3.815 20 0 HHADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430910882 977878141 /nfs/dbraw/zinc/87/81/41/977878141.db2.gz YWKPNUGQJSDEAR-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933975 977898058 /nfs/dbraw/zinc/89/80/58/977898058.db2.gz KKBLEBPPQFGQJN-GOSISDBHSA-N 2 0 421.029 3.795 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000431074117 978004905 /nfs/dbraw/zinc/00/49/05/978004905.db2.gz QATMBKKLVXUTBK-OFNKIYASSA-N 2 0 415.626 3.769 20 0 HHADRP CCN(C(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393196 978267508 /nfs/dbraw/zinc/26/75/08/978267508.db2.gz SBDJVPUVWILKHU-NRFANRHFSA-N 2 0 420.686 3.684 20 0 HHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000431787869 978513804 /nfs/dbraw/zinc/51/38/04/978513804.db2.gz YAXBVUUZSYHDMN-FQEVSTJZSA-N 2 0 407.986 3.564 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCCC[C@@H]1C ZINC000431808929 978529172 /nfs/dbraw/zinc/52/91/72/978529172.db2.gz LISXFNKGBKAMRT-FCHUYYIVSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000431903449 978588631 /nfs/dbraw/zinc/58/86/31/978588631.db2.gz UETYPNVVPGJPSJ-REHUZNOOSA-N 2 0 409.574 3.605 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431924878 978605079 /nfs/dbraw/zinc/60/50/79/978605079.db2.gz OURVKSGQNAUZCA-UHFFFAOYSA-N 2 0 410.606 3.559 20 0 HHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432366140 978780157 /nfs/dbraw/zinc/78/01/57/978780157.db2.gz BZKDEAKNGVMIKS-LJQANCHMSA-N 2 0 414.594 3.904 20 0 HHADRP COc1cc(C[NH+]2CCC[C@H]3COCC[C@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824442 978985663 /nfs/dbraw/zinc/98/56/63/978985663.db2.gz SYGYEGLSEZMZKM-MMEFYLPPSA-N 2 0 414.590 3.697 20 0 HHADRP CC(C)[NH+](Cc1cc(Br)ccc1C[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000432963145 979026459 /nfs/dbraw/zinc/02/64/59/979026459.db2.gz ZKBUREPQJRYOAR-IRXDYDNUSA-N 2 0 415.416 3.632 20 0 HHADRP C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCCC1)c1ccccc1 ZINC000433010446 979041073 /nfs/dbraw/zinc/04/10/73/979041073.db2.gz KOGQPAJKFLEFLF-IBGZPJMESA-N 2 0 415.603 3.690 20 0 HHADRP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051983 979053084 /nfs/dbraw/zinc/05/30/84/979053084.db2.gz JMCNKUFJLCSTQH-FQEVSTJZSA-N 2 0 411.615 3.783 20 0 HHADRP Cc1c(-c2cc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)on2)cnn1C ZINC000433179716 979123048 /nfs/dbraw/zinc/12/30/48/979123048.db2.gz WULDQPMLHLEYLP-UHFFFAOYSA-N 2 0 405.546 3.872 20 0 HHADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449238 980188784 /nfs/dbraw/zinc/18/87/84/980188784.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 2 0 409.496 3.574 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434544658 980243155 /nfs/dbraw/zinc/24/31/55/980243155.db2.gz NYLGXZHZEJQZDE-UHFFFAOYSA-N 2 0 414.421 3.952 20 0 HHADRP Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435526397 980920357 /nfs/dbraw/zinc/92/03/57/980920357.db2.gz HTJJEDAMVGUNEQ-JOCHJYFZSA-N 2 0 424.593 3.633 20 0 HHADRP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435529251 980923496 /nfs/dbraw/zinc/92/34/96/980923496.db2.gz REHXLUIXCROLAO-IRLDBZIGSA-N 2 0 424.593 3.634 20 0 HHADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435634534 980968706 /nfs/dbraw/zinc/96/87/06/980968706.db2.gz DECGATQVDKLHRG-JOCHJYFZSA-N 2 0 403.530 3.644 20 0 HHADRP CN(c1ccccc1CN1CCC[N@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435769477 981023331 /nfs/dbraw/zinc/02/33/31/981023331.db2.gz WIEZJFABAPCQHI-UHFFFAOYSA-N 2 0 406.618 3.925 20 0 HHADRP C[NH+](C)Cc1cc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)ccc1F ZINC000436248624 981268150 /nfs/dbraw/zinc/26/81/50/981268150.db2.gz BWVXHYHHVGGILB-UHFFFAOYSA-N 2 0 409.505 3.584 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000436281358 981282417 /nfs/dbraw/zinc/28/24/17/981282417.db2.gz NWAMKYAQWIPIQS-UHFFFAOYSA-N 2 0 417.553 3.979 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)c2)CC1 ZINC000436373919 981333921 /nfs/dbraw/zinc/33/39/21/981333921.db2.gz VKXANMCAAMFMNR-QHCPKHFHSA-N 2 0 413.610 3.747 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436406384 981351510 /nfs/dbraw/zinc/35/15/10/981351510.db2.gz GEGJKYUCQXARNZ-KXBFYZLASA-N 2 0 419.919 3.665 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448209907 981623465 /nfs/dbraw/zinc/62/34/65/981623465.db2.gz VULBRYWCTIRLGF-UGKGYDQZSA-N 2 0 416.635 3.618 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448210409 981624091 /nfs/dbraw/zinc/62/40/91/981624091.db2.gz ZYRWRMMFADRMTC-NMTNEYKDSA-N 2 0 410.606 3.555 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214366 981628544 /nfs/dbraw/zinc/62/85/44/981628544.db2.gz SKJAIBFBDZCKAS-XWGVYQGASA-N 2 0 412.622 3.598 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000448465791 981799710 /nfs/dbraw/zinc/79/97/10/981799710.db2.gz JNSWEHQNSGGOBB-JTAQYXEDSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)[C@H](C)C1 ZINC000448468506 981807342 /nfs/dbraw/zinc/80/73/42/981807342.db2.gz VLBWCCBUGWWFAQ-QTEQDKRBSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@H](C)C1 ZINC000448519299 981845205 /nfs/dbraw/zinc/84/52/05/981845205.db2.gz CUORAGNBGADUMG-GCJKJVERSA-N 2 0 421.029 3.924 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000448519298 981845778 /nfs/dbraw/zinc/84/57/78/981845778.db2.gz CUORAGNBGADUMG-AVRDEDQJSA-N 2 0 421.029 3.924 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000460100040 981876118 /nfs/dbraw/zinc/87/61/18/981876118.db2.gz CSSYRHQVXRPJNI-WPFOTENUSA-N 2 0 424.564 3.592 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000437675987 982290442 /nfs/dbraw/zinc/29/04/42/982290442.db2.gz SLQSCTDIRSUQIU-KRWDZBQOSA-N 2 0 411.388 3.637 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000438168959 982628930 /nfs/dbraw/zinc/62/89/30/982628930.db2.gz MKXXQCCQXBTXOV-FQEVSTJZSA-N 2 0 411.550 3.754 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906698 982642356 /nfs/dbraw/zinc/64/23/56/982642356.db2.gz DFMKZPISRNZRSP-QGZVFWFLSA-N 2 0 403.592 3.706 20 0 HHADRP CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000438224862 982662611 /nfs/dbraw/zinc/66/26/11/982662611.db2.gz QSSMEJMOZPSAFQ-LJQANCHMSA-N 2 0 417.598 3.613 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438386851 982758865 /nfs/dbraw/zinc/75/88/65/982758865.db2.gz JWHAKQLAVGISFP-SFHVURJKSA-N 2 0 400.489 3.671 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438699 983102516 /nfs/dbraw/zinc/10/25/16/983102516.db2.gz MNUBCCSOERYBBS-DQEYMECFSA-N 2 0 403.570 3.877 20 0 HHADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461443380 983107979 /nfs/dbraw/zinc/10/79/79/983107979.db2.gz ARPUYQCAOHWZDA-NXCFDTQHSA-N 2 0 417.597 3.879 20 0 HHADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448410 983114151 /nfs/dbraw/zinc/11/41/51/983114151.db2.gz YDHSRGPVZITXQN-UIOOFZCWSA-N 2 0 417.597 3.879 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000438849937 983116469 /nfs/dbraw/zinc/11/64/69/983116469.db2.gz LBZULOOPQNTPOE-WOJBJXKFSA-N 2 0 401.599 3.561 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000438993365 983200007 /nfs/dbraw/zinc/20/00/07/983200007.db2.gz JXEQTBKGHVFOMQ-SFHVURJKSA-N 2 0 411.546 3.979 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000439448459 983414267 /nfs/dbraw/zinc/41/42/67/983414267.db2.gz ZKPHOBPNPUZQJG-PZJWPPBQSA-N 2 0 414.619 3.874 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000440181613 983672916 /nfs/dbraw/zinc/67/29/16/983672916.db2.gz BRGKHSZQJZFRAU-OAQYLSRUSA-N 2 0 423.605 3.689 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000440790799 983907286 /nfs/dbraw/zinc/90/72/86/983907286.db2.gz MFRATZBDWLDTLA-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441243494 984134303 /nfs/dbraw/zinc/13/43/03/984134303.db2.gz JDMHNVMGTAFCMG-QVKFZJNVSA-N 2 0 409.496 3.831 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1(C)C ZINC000441338188 984193563 /nfs/dbraw/zinc/19/35/63/984193563.db2.gz CNVRBTNKACGLQJ-UHFFFAOYSA-N 2 0 423.424 3.688 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442242290 984763371 /nfs/dbraw/zinc/76/33/71/984763371.db2.gz MZEXKYDCRLWFRX-RVEPMOMFSA-N 2 0 400.611 3.563 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461793489 984782244 /nfs/dbraw/zinc/78/22/44/984782244.db2.gz CKYHILWZVFSZMK-UHFFFAOYSA-N 2 0 401.545 3.734 20 0 HHADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)c1 ZINC000461998635 984979747 /nfs/dbraw/zinc/97/97/47/984979747.db2.gz ZYSINJIKAGYYMY-QFIPXVFZSA-N 2 0 422.617 3.753 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000462111472 985081849 /nfs/dbraw/zinc/08/18/49/985081849.db2.gz MGOFQTPTLONZDN-OFNKIYASSA-N 2 0 421.651 3.638 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876900 985255666 /nfs/dbraw/zinc/25/56/66/985255666.db2.gz SHZNNJAAOCRVOA-FQEVSTJZSA-N 2 0 424.427 3.532 20 0 HHADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000462750523 985692217 /nfs/dbraw/zinc/69/22/17/985692217.db2.gz PDDLMEREFMMYAH-HSZRJFAPSA-N 2 0 412.622 3.949 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2ccc(F)cc2)CC1 ZINC000462806494 985738655 /nfs/dbraw/zinc/73/86/55/985738655.db2.gz QGMKGRKQNHWSOT-FCHUYYIVSA-N 2 0 410.599 3.936 20 0 HHADRP COc1ccc(CN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000443600136 985776521 /nfs/dbraw/zinc/77/65/21/985776521.db2.gz LEPDJGUICFQMEE-UHFFFAOYSA-N 2 0 413.606 3.774 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634766 985815589 /nfs/dbraw/zinc/81/55/89/985815589.db2.gz SRCGFKJHYNDGLX-LAUBAEHRSA-N 2 0 407.002 3.534 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000443635654 985819103 /nfs/dbraw/zinc/81/91/03/985819103.db2.gz ZJGGCQCPSHUCFK-AUSIDOKSSA-N 2 0 400.611 3.933 20 0 HHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000468362785 986061285 /nfs/dbraw/zinc/06/12/85/986061285.db2.gz BNTQPOWGYHTDSX-FNEOHHHZSA-N 2 0 408.590 3.899 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087923 /nfs/dbraw/zinc/08/79/23/986087923.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 2 0 405.602 3.559 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3c3ccc(F)cc3)c2)C1 ZINC000468430614 986128548 /nfs/dbraw/zinc/12/85/48/986128548.db2.gz RWIIGBZTVXVORJ-JRFVFWCSSA-N 2 0 409.549 3.949 20 0 HHADRP COC(=O)CCC[NH+]1CCC(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000463294098 986261641 /nfs/dbraw/zinc/26/16/41/986261641.db2.gz QDXDWENYMJEWLQ-FQEVSTJZSA-N 2 0 407.624 3.528 20 0 HHADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000468686009 986397708 /nfs/dbraw/zinc/39/77/08/986397708.db2.gz BSUFWDJCKXMOSD-XLIONFOSSA-N 2 0 412.981 3.845 20 0 HHADRP COc1cc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC000444230282 986417650 /nfs/dbraw/zinc/41/76/50/986417650.db2.gz YXNXZHOVBJEDQQ-INIZCTEOSA-N 2 0 409.958 3.636 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1F ZINC000444268564 986461968 /nfs/dbraw/zinc/46/19/68/986461968.db2.gz VKVRKVGJCKCFAA-UHFFFAOYSA-N 2 0 422.770 3.587 20 0 HHADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000463736361 986722517 /nfs/dbraw/zinc/72/25/17/986722517.db2.gz OJIGXFFXECYXCC-OALUTQOASA-N 2 0 414.594 3.536 20 0 HHADRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc2C1 ZINC000444619387 986804632 /nfs/dbraw/zinc/80/46/32/986804632.db2.gz XFNPECAVBZLGKF-UHFFFAOYSA-N 2 0 417.597 3.950 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444844666 987003900 /nfs/dbraw/zinc/00/39/00/987003900.db2.gz DLPGHHXXXGXSJR-OAQYLSRUSA-N 2 0 404.986 3.651 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469334358 987042647 /nfs/dbraw/zinc/04/26/47/987042647.db2.gz NBFICJXERJBXAC-DEOSSOPVSA-N 2 0 415.541 3.769 20 0 HHADRP CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561819 987232047 /nfs/dbraw/zinc/23/20/47/987232047.db2.gz HTXSLGBVKUEBJI-FGYAAKKASA-N 2 0 414.594 3.724 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469696474 987354584 /nfs/dbraw/zinc/35/45/84/987354584.db2.gz VXKRKYDUWDQNDL-FQEVSTJZSA-N 2 0 400.526 3.984 20 0 HHADRP C[C@H]1C[C@@H](C(=O)N(C[C@H]2CC[NH+](Cc3ccccc3)C2)CC(F)(F)F)CC[N@@H+]1C ZINC000469709212 987365035 /nfs/dbraw/zinc/36/50/35/987365035.db2.gz WDNDKLVTVHQVSR-IHPCNDPISA-N 2 0 411.512 3.630 20 0 HHADRP CC[C@H](Cc1ccccc1)N(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000469748405 987399582 /nfs/dbraw/zinc/39/95/82/987399582.db2.gz KDJGEIQAKGTBGC-HSZRJFAPSA-N 2 0 423.605 3.647 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000469776781 987426403 /nfs/dbraw/zinc/42/64/03/987426403.db2.gz SMDSYGRFOIENJT-GSHUGGBRSA-N 2 0 405.533 3.698 20 0 HHADRP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000469779497 987427240 /nfs/dbraw/zinc/42/72/40/987427240.db2.gz JLFMZIPQNLHTQL-YADHBBJMSA-N 2 0 403.636 3.730 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1)C(C)C ZINC000469917323 987546243 /nfs/dbraw/zinc/54/62/43/987546243.db2.gz NHABAPNPGYHHDN-HSZRJFAPSA-N 2 0 401.595 3.634 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463956399 988067666 /nfs/dbraw/zinc/06/76/66/988067666.db2.gz ZFRQRPIDJPEZKP-IRLDBZIGSA-N 2 0 410.562 3.723 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470277808 988232171 /nfs/dbraw/zinc/23/21/71/988232171.db2.gz MRFOEDJWCBUPFJ-LJQANCHMSA-N 2 0 414.516 3.681 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470552538 988565911 /nfs/dbraw/zinc/56/59/11/988565911.db2.gz XJWJXTXVQLFFPQ-GGPKGHCWSA-N 2 0 411.512 3.772 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000464548600 988726371 /nfs/dbraw/zinc/72/63/71/988726371.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 2 0 411.512 3.631 20 0 HHADRP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729917 988760529 /nfs/dbraw/zinc/76/05/29/988760529.db2.gz MOPQXDJQIWHZPT-OFVILXPXSA-N 2 0 420.601 3.739 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000470732567 988764696 /nfs/dbraw/zinc/76/46/96/988764696.db2.gz JZMRRFJLRIDUEZ-DEOSSOPVSA-N 2 0 412.622 3.936 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733277 988766746 /nfs/dbraw/zinc/76/67/46/988766746.db2.gz QPMQQRLVRWOVKC-VWNXMTODSA-N 2 0 412.622 3.833 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000470735568 988770742 /nfs/dbraw/zinc/77/07/42/988770742.db2.gz CEDQSJRHVMYMDN-UNMCSNQZSA-N 2 0 412.622 3.792 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739841 988778308 /nfs/dbraw/zinc/77/83/08/988778308.db2.gz FZPOZZCUVJEEPB-LADGPHEKSA-N 2 0 424.589 3.604 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748191 988788820 /nfs/dbraw/zinc/78/88/20/988788820.db2.gz VDAGWHDDPZLPHF-PMACEKPBSA-N 2 0 400.592 3.657 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000470760647 988802485 /nfs/dbraw/zinc/80/24/85/988802485.db2.gz DFBJAARXFZXNMO-MHZLTWQESA-N 2 0 423.645 3.871 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000470891234 988964339 /nfs/dbraw/zinc/96/43/39/988964339.db2.gz YTCBKFPRVCWMNX-QKNQBKEWSA-N 2 0 404.624 3.504 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000470900624 988974718 /nfs/dbraw/zinc/97/47/18/988974718.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 2 0 408.590 3.813 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000465010362 989326357 /nfs/dbraw/zinc/32/63/57/989326357.db2.gz NWHRCRANXMYSFW-IBGZPJMESA-N 2 0 407.002 3.582 20 0 HHADRP CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471385418 989564957 /nfs/dbraw/zinc/56/49/57/989564957.db2.gz MQYANSSIEVWFRX-PLQXJYEYSA-N 2 0 417.597 3.879 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471535474 989734954 /nfs/dbraw/zinc/73/49/54/989734954.db2.gz FKSFWTSXKPSTCO-QFIPXVFZSA-N 2 0 408.590 3.850 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429445 989774533 /nfs/dbraw/zinc/77/45/33/989774533.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 2 0 420.601 3.815 20 0 HHADRP Cc1c(NCC(C)(C)C)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000465434137 989780438 /nfs/dbraw/zinc/78/04/38/989780438.db2.gz PJIJCSLRGFVSNH-UHFFFAOYSA-N 2 0 423.605 3.790 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000471611243 989815165 /nfs/dbraw/zinc/81/51/65/989815165.db2.gz BNKBOZGZRGKXMB-KBPBESRZSA-N 2 0 407.452 3.566 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000471610994 989815624 /nfs/dbraw/zinc/81/56/24/989815624.db2.gz PBGCFISOSOGUCZ-XMMPIXPASA-N 2 0 420.601 3.515 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000471611245 989815646 /nfs/dbraw/zinc/81/56/46/989815646.db2.gz BNKBOZGZRGKXMB-UONOGXRCSA-N 2 0 407.452 3.566 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465516029 989868772 /nfs/dbraw/zinc/86/87/72/989868772.db2.gz AMRGCUXPRDCMJE-LVZYQIDLSA-N 2 0 412.622 3.979 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccsc1 ZINC000465517298 989869619 /nfs/dbraw/zinc/86/96/19/989869619.db2.gz CGBDJESSJSPJQE-OAQYLSRUSA-N 2 0 414.619 3.529 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000465535468 989898165 /nfs/dbraw/zinc/89/81/65/989898165.db2.gz BCTGEQDNZZAAKC-QZNHQXDQSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465542387 989905621 /nfs/dbraw/zinc/90/56/21/989905621.db2.gz KCZSRKAQMLNYOD-IFMALSPDSA-N 2 0 414.619 3.904 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000471732966 989929152 /nfs/dbraw/zinc/92/91/52/989929152.db2.gz BBMWFEREGRUONW-RUZDIDTESA-N 2 0 420.601 3.720 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465577571 989947640 /nfs/dbraw/zinc/94/76/40/989947640.db2.gz SXJBTANVILUGFB-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000465586784 989961649 /nfs/dbraw/zinc/96/16/49/989961649.db2.gz BWLVBMQECPLPHQ-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465588034 989964486 /nfs/dbraw/zinc/96/44/86/989964486.db2.gz DEVRTLDJGSKSPW-AKFKNWHVSA-N 2 0 414.638 3.908 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465589813 989967255 /nfs/dbraw/zinc/96/72/55/989967255.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 2 0 400.611 3.805 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000465593859 989972885 /nfs/dbraw/zinc/97/28/85/989972885.db2.gz HMOPEAUISYGQEZ-QHCPKHFHSA-N 2 0 400.611 3.662 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465613872 989999387 /nfs/dbraw/zinc/99/93/87/989999387.db2.gz ZRZHCCYOOYCPDA-GMAHTHKFSA-N 2 0 400.611 3.662 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465630641 990016859 /nfs/dbraw/zinc/01/68/59/990016859.db2.gz JFJRPYJJDOWKHY-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000465632456 990018444 /nfs/dbraw/zinc/01/84/44/990018444.db2.gz NUQFQCDREPOLJM-TZIWHRDSSA-N 2 0 400.592 3.692 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000465676577 990062021 /nfs/dbraw/zinc/06/20/21/990062021.db2.gz ABQODXUZCRXDIO-GMAHTHKFSA-N 2 0 400.611 3.662 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465739402 990124685 /nfs/dbraw/zinc/12/46/85/990124685.db2.gz DZVPRWBAKBPJLE-HYVLGVRCSA-N 2 0 414.638 3.906 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000465739403 990124867 /nfs/dbraw/zinc/12/48/67/990124867.db2.gz DZVPRWBAKBPJLE-JTOYRKQZSA-N 2 0 414.638 3.906 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000465740551 990126379 /nfs/dbraw/zinc/12/63/79/990126379.db2.gz GNWKTWYLGBJRPP-DLBZAZTESA-N 2 0 414.516 3.824 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465745156 990130284 /nfs/dbraw/zinc/13/02/84/990130284.db2.gz QMGAOISIARCUKH-FIRLOTFOSA-N 2 0 406.640 3.797 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819661 990202816 /nfs/dbraw/zinc/20/28/16/990202816.db2.gz VYJHOUUMZBUEGQ-VQTJNVASSA-N 2 0 404.624 3.524 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465825075 990208566 /nfs/dbraw/zinc/20/85/66/990208566.db2.gz BEKZQQZDGOYISU-HXUWFJFHSA-N 2 0 404.624 3.524 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472061315 990224570 /nfs/dbraw/zinc/22/45/70/990224570.db2.gz CMGPQJAJKJXUIA-SGRGSNTQSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000465860849 990971515 /nfs/dbraw/zinc/97/15/15/990971515.db2.gz DCHMSZHTAABWFE-QHCPKHFHSA-N 2 0 400.611 3.505 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866417 990977687 /nfs/dbraw/zinc/97/76/87/990977687.db2.gz WDSMPGJGBJXBDI-IRXDYDNUSA-N 2 0 409.644 3.559 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000465890881 991016264 /nfs/dbraw/zinc/01/62/64/991016264.db2.gz AMTKZLZFRSRCAG-PKTZIBPZSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000465895528 991021940 /nfs/dbraw/zinc/02/19/40/991021940.db2.gz BZGVESIGMTZLEJ-FUPPJEDESA-N 2 0 400.611 3.803 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000465934613 991070529 /nfs/dbraw/zinc/07/05/29/991070529.db2.gz YCOMPYBRNOETQO-OAQYLSRUSA-N 2 0 400.611 3.936 20 0 HHADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)s1 ZINC000465939289 991077004 /nfs/dbraw/zinc/07/70/04/991077004.db2.gz RVBORJOETZLPGN-JKSUJKDBSA-N 2 0 401.020 3.910 20 0 HHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465962410 991106878 /nfs/dbraw/zinc/10/68/78/991106878.db2.gz YSKZGUOFZIYWTN-XZOQPEGZSA-N 2 0 400.611 3.805 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)[C@H]1c1cccs1 ZINC000466073653 991247089 /nfs/dbraw/zinc/24/70/89/991247089.db2.gz DKIVWGXNWBAVJW-DYXWJJEUSA-N 2 0 404.624 3.695 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466082781 991259983 /nfs/dbraw/zinc/25/99/83/991259983.db2.gz WNUOLMPIUAAUJY-SBHAEUEKSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466796704 992103001 /nfs/dbraw/zinc/10/30/01/992103001.db2.gz RFBAWUKNMMPOAO-GBXCKJPGSA-N 2 0 408.590 3.501 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000466981114 992291339 /nfs/dbraw/zinc/29/13/39/992291339.db2.gz NPSZEVXMBMRPPF-UHFFFAOYSA-N 2 0 408.590 3.563 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000467090968 992397294 /nfs/dbraw/zinc/39/72/94/992397294.db2.gz MQCALEFLTQLPCC-HSZRJFAPSA-N 2 0 400.611 3.588 20 0 HHADRP c1c[nH]c(C2CC[NH+](Cc3ccc(C[NH+]4CCC(c5ncc[nH]5)CC4)cc3)CC2)n1 ZINC000467145134 992460900 /nfs/dbraw/zinc/46/09/00/992460900.db2.gz WLHZTMFIVBPORD-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000467284295 992607072 /nfs/dbraw/zinc/60/70/72/992607072.db2.gz PSFJDYFIKGRDOK-UHFFFAOYSA-N 2 0 407.480 3.971 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690239 992946110 /nfs/dbraw/zinc/94/61/10/992946110.db2.gz CNFIYPVAQZIHAK-AUSIDOKSSA-N 2 0 409.599 3.628 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(Br)c3)cn2)CC1 ZINC000467837777 993068839 /nfs/dbraw/zinc/06/88/39/993068839.db2.gz BNTFJFFZUZNPRB-MRXNPFEDSA-N 2 0 403.368 3.837 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366140 993362929 /nfs/dbraw/zinc/36/29/29/993362929.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 2 0 420.601 3.815 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000480730877 993596785 /nfs/dbraw/zinc/59/67/85/993596785.db2.gz QAKAJFXDOKZXAY-JOCHJYFZSA-N 2 0 417.601 3.920 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(-c4ccc(F)cc4)c3C)cn2)CC1 ZINC000480738056 993604745 /nfs/dbraw/zinc/60/47/45/993604745.db2.gz JJIYAYJAVPCWRR-GOSISDBHSA-N 2 0 422.552 3.708 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(Br)c21 ZINC000480738998 993605607 /nfs/dbraw/zinc/60/56/07/993605607.db2.gz ROXBQAZCJBFEJT-BEFAXECRSA-N 2 0 415.379 3.934 20 0 HHADRP Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000480773163 993638670 /nfs/dbraw/zinc/63/86/70/993638670.db2.gz IGLTZYASCLRORB-SQJMNOBHSA-N 2 0 411.590 3.660 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780541 993647208 /nfs/dbraw/zinc/64/72/08/993647208.db2.gz QUMRUYGVYHDMHN-DFCKQENNSA-N 2 0 407.602 3.869 20 0 HHADRP Fc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000480851704 993723995 /nfs/dbraw/zinc/72/39/95/993723995.db2.gz XGZISACHHICXJZ-XMMPIXPASA-N 2 0 419.548 3.897 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000480906304 993762497 /nfs/dbraw/zinc/76/24/97/993762497.db2.gz YBNJLUXNPURBMN-FQEVSTJZSA-N 2 0 423.605 3.815 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480948528 993791611 /nfs/dbraw/zinc/79/16/11/993791611.db2.gz BISZJAGEISSZBY-SFHVURJKSA-N 2 0 412.603 3.975 20 0 HHADRP CCS[C@@H]1CCCC[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000481023170 993867252 /nfs/dbraw/zinc/86/72/52/993867252.db2.gz XBQSDPDRXZXCMG-JOCHJYFZSA-N 2 0 403.636 3.637 20 0 HHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049812 993892808 /nfs/dbraw/zinc/89/28/08/993892808.db2.gz NTWYNDPLLKTXOJ-RHSMWYFYSA-N 2 0 414.331 3.826 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000481184285 994015010 /nfs/dbraw/zinc/01/50/10/994015010.db2.gz BDOMPGZMFVUHNG-SLYNCCJLSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000481184286 994015090 /nfs/dbraw/zinc/01/50/90/994015090.db2.gz BDOMPGZMFVUHNG-YFVAEKQCSA-N 2 0 422.491 3.945 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305849 994122243 /nfs/dbraw/zinc/12/22/43/994122243.db2.gz GKUALWJKVUZPPD-ZWKOTPCHSA-N 2 0 404.514 3.942 20 0 HHADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c2C1 ZINC000473281364 994130241 /nfs/dbraw/zinc/13/02/41/994130241.db2.gz FLPZQDZANCCWNR-IBGZPJMESA-N 2 0 416.610 3.610 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000473520686 994375328 /nfs/dbraw/zinc/37/53/28/994375328.db2.gz NWPRIYGWTHVKIU-MHJFOBGBSA-N 2 0 409.496 3.573 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000473520687 994375685 /nfs/dbraw/zinc/37/56/85/994375685.db2.gz NWPRIYGWTHVKIU-SOAGJPPSSA-N 2 0 409.496 3.573 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481547716 994379569 /nfs/dbraw/zinc/37/95/69/994379569.db2.gz TXXMYSNNIXNOIV-SFHVURJKSA-N 2 0 401.576 3.621 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473554091 994417094 /nfs/dbraw/zinc/41/70/94/994417094.db2.gz QLBTZVMPVQSIDG-UHFFFAOYSA-N 2 0 401.595 3.934 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481664620 994525042 /nfs/dbraw/zinc/52/50/42/994525042.db2.gz GXCHDJJYAHTCRN-LJQANCHMSA-N 2 0 418.950 3.675 20 0 HHADRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674038 994534088 /nfs/dbraw/zinc/53/40/88/994534088.db2.gz VKQHTYJEMFGUPE-WMZOPIPTSA-N 2 0 404.020 3.655 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000481715590 994576678 /nfs/dbraw/zinc/57/66/78/994576678.db2.gz IWDIAWXLTFRUHX-LJQANCHMSA-N 2 0 405.546 3.839 20 0 HHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000473744651 994647692 /nfs/dbraw/zinc/64/76/92/994647692.db2.gz QKOCBOJTZOWPFQ-QHCPKHFHSA-N 2 0 400.611 3.936 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473820260 994748735 /nfs/dbraw/zinc/74/87/35/994748735.db2.gz VEJDNVNXFFVTKL-QHCPKHFHSA-N 2 0 421.589 3.615 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835361 994768690 /nfs/dbraw/zinc/76/86/90/994768690.db2.gz KMBZMZXDVNAMKI-NFBKMPQASA-N 2 0 421.589 3.786 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473836359 994769475 /nfs/dbraw/zinc/76/94/75/994769475.db2.gz MHRQDPDUESTTNM-UHFFFAOYSA-N 2 0 423.605 3.992 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCC[N@H+](C)C3CCCCC3)c2)CC1 ZINC000473839064 994773868 /nfs/dbraw/zinc/77/38/68/994773868.db2.gz YAPQTRNFURKNML-UHFFFAOYSA-N 2 0 401.599 3.605 20 0 HHADRP CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473875468 994819443 /nfs/dbraw/zinc/81/94/43/994819443.db2.gz NQMMYUMBTFMZGI-NFBKMPQASA-N 2 0 400.611 3.974 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000473975042 994959122 /nfs/dbraw/zinc/95/91/22/994959122.db2.gz FDPJUNUFNKLKAJ-SOAGJPPSSA-N 2 0 404.624 3.837 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474004982 994994981 /nfs/dbraw/zinc/99/49/81/994994981.db2.gz KBBDUELSKSLXPK-NPHXMPSESA-N 2 0 400.611 3.564 20 0 HHADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000482113123 995060108 /nfs/dbraw/zinc/06/01/08/995060108.db2.gz JAPPERHAPJMTAZ-GOSISDBHSA-N 2 0 404.505 3.854 20 0 HHADRP CCc1cccc(F)c1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000474272377 995268895 /nfs/dbraw/zinc/26/88/95/995268895.db2.gz SMDFUUSKOXDDAF-UHFFFAOYSA-N 2 0 411.565 3.848 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000482339619 995318574 /nfs/dbraw/zinc/31/85/74/995318574.db2.gz VXJKMQRZHAHUAV-PMACEKPBSA-N 2 0 407.624 3.632 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000482432960 995425772 /nfs/dbraw/zinc/42/57/72/995425772.db2.gz CLICOPDUCHWDPA-XLIONFOSSA-N 2 0 414.619 3.669 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507319 995467188 /nfs/dbraw/zinc/46/71/88/995467188.db2.gz WHUMYOBAHGDRRJ-RLBLXZPPSA-N 2 0 412.622 3.800 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1[C@H](C)C[NH+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000474507318 995467474 /nfs/dbraw/zinc/46/74/74/995467474.db2.gz WHUMYOBAHGDRRJ-PRTQVNTJSA-N 2 0 412.622 3.800 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000474510096 995470887 /nfs/dbraw/zinc/47/08/87/995470887.db2.gz KDKBNOHUZMFZAR-PMACEKPBSA-N 2 0 400.611 3.659 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000482506155 995515699 /nfs/dbraw/zinc/51/56/99/995515699.db2.gz PHRADKYWYQBORB-NLFFAJNJSA-N 2 0 413.581 3.981 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000482529431 995537845 /nfs/dbraw/zinc/53/78/45/995537845.db2.gz GTJMFXXTMNVXIV-IBGZPJMESA-N 2 0 407.562 3.718 20 0 HHADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000482554793 995562042 /nfs/dbraw/zinc/56/20/42/995562042.db2.gz QFSHAOINOKVZDY-IRLDBZIGSA-N 2 0 409.574 3.812 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000474619173 995569801 /nfs/dbraw/zinc/56/98/01/995569801.db2.gz XTWGMQRWWNZFFE-OALUTQOASA-N 2 0 408.521 3.910 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CCC3)cc1 ZINC000482566618 995571422 /nfs/dbraw/zinc/57/14/22/995571422.db2.gz NRSSKKMYLJNFQN-HXUWFJFHSA-N 2 0 414.619 3.813 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000474719955 995657373 /nfs/dbraw/zinc/65/73/73/995657373.db2.gz OFNULHVLXKSKBZ-PWHSHALESA-N 2 0 409.574 3.674 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000482710534 995699144 /nfs/dbraw/zinc/69/91/44/995699144.db2.gz YALMJSSDRAITMB-KRWDZBQOSA-N 2 0 404.002 3.549 20 0 HHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482809064 995764184 /nfs/dbraw/zinc/76/41/84/995764184.db2.gz CEVUJIVBLNGVCY-VQIMIIECSA-N 2 0 415.965 3.897 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475117556 995933048 /nfs/dbraw/zinc/93/30/48/995933048.db2.gz HJUIGOCAJLCWDK-RDGATRHJSA-N 2 0 410.606 3.701 20 0 HHADRP CN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475145053 995952324 /nfs/dbraw/zinc/95/23/24/995952324.db2.gz WDRORTXDVCOMGY-DEOSSOPVSA-N 2 0 424.564 3.706 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000483176958 996019683 /nfs/dbraw/zinc/01/96/83/996019683.db2.gz KUOJPHRNCMWRMF-OAQYLSRUSA-N 2 0 401.595 3.678 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200701 996034296 /nfs/dbraw/zinc/03/42/96/996034296.db2.gz OKFUGQOJNWMAQP-QYZOEREBSA-N 2 0 411.537 3.593 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000483231813 996050415 /nfs/dbraw/zinc/05/04/15/996050415.db2.gz GCNFIBPUNIIQTI-RTBURBONSA-N 2 0 402.583 3.712 20 0 HHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000483280208 996077842 /nfs/dbraw/zinc/07/78/42/996077842.db2.gz BXAZDMDDHQHILC-OAQYLSRUSA-N 2 0 400.567 3.704 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483417581 996165481 /nfs/dbraw/zinc/16/54/81/996165481.db2.gz YMJCICFVKHUWBG-IBVKSMDESA-N 2 0 423.576 3.958 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487565 996213312 /nfs/dbraw/zinc/21/33/12/996213312.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 2 0 424.585 3.559 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475559108 996218578 /nfs/dbraw/zinc/21/85/78/996218578.db2.gz CFFNYHJMSSNALB-RWBZWWBESA-N 2 0 421.607 3.865 20 0 HHADRP OC[C@]1(Cc2ccccc2)CCC[NH+]1CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475668415 996288999 /nfs/dbraw/zinc/28/89/99/996288999.db2.gz QTISGTIDNITHFG-KAYWLYCHSA-N 2 0 422.613 3.516 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483620967 996290857 /nfs/dbraw/zinc/29/08/57/996290857.db2.gz HCHGOGVVLCKXGW-XPNTWCBSSA-N 2 0 400.611 3.945 20 0 HHADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327521 /nfs/dbraw/zinc/32/75/21/996327521.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 2 0 424.585 3.561 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc(-n2cnnn2)cc1 ZINC000483731580 996355047 /nfs/dbraw/zinc/35/50/47/996355047.db2.gz SNXZFVJLBHNANT-SFHVURJKSA-N 2 0 402.502 3.738 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483770200 996376205 /nfs/dbraw/zinc/37/62/05/996376205.db2.gz ANVWLKKIZYTIPT-UHFFFAOYSA-N 2 0 404.624 3.666 20 0 HHADRP CC1(C)C[N@@H+](C2(CNC(=O)NC3CC[NH+](C4CCCC4)CC3)CCCCC2)CCO1 ZINC000483809186 996402246 /nfs/dbraw/zinc/40/22/46/996402246.db2.gz QAIXATWELBVXJW-UHFFFAOYSA-N 2 0 420.642 3.506 20 0 HHADRP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483982769 996504982 /nfs/dbraw/zinc/50/49/82/996504982.db2.gz VQUPAVWYHORLGT-ZJSXRUAMSA-N 2 0 420.601 3.992 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)C2)CC1 ZINC000476358254 996785253 /nfs/dbraw/zinc/78/52/53/996785253.db2.gz WSJCVFGZLDTJKD-FQEVSTJZSA-N 2 0 404.574 3.541 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000484483046 996804720 /nfs/dbraw/zinc/80/47/20/996804720.db2.gz LGMQLXONEWKNEL-RLWLMLJZSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)[C@H](C)c1ccccc1 ZINC000484484764 996805976 /nfs/dbraw/zinc/80/59/76/996805976.db2.gz OHHLOLUFXPNRBM-ZCNNSNEGSA-N 2 0 417.619 3.759 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484504611 996833423 /nfs/dbraw/zinc/83/34/23/996833423.db2.gz URRPYVIYXWMYRE-OFNKIYASSA-N 2 0 409.574 3.511 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484711801 997050989 /nfs/dbraw/zinc/05/09/89/997050989.db2.gz BDFHBMNPLFBBLR-LPHOPBHVSA-N 2 0 414.516 3.681 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000485000053 997363737 /nfs/dbraw/zinc/36/37/37/997363737.db2.gz FDPMQIPBMAEYBR-AZUAARDMSA-N 2 0 420.598 3.752 20 0 HHADRP C[NH+](C)CCOC1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000485120086 997504067 /nfs/dbraw/zinc/50/40/67/997504067.db2.gz PIFVVZITCONKJA-UHFFFAOYSA-N 2 0 409.574 3.501 20 0 HHADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000476986391 997610666 /nfs/dbraw/zinc/61/06/66/997610666.db2.gz PTJXDNBQLKAIMA-OFNKIYASSA-N 2 0 404.595 3.549 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000485247150 997631866 /nfs/dbraw/zinc/63/18/66/997631866.db2.gz REYCLXMSZMORAZ-RDPSFJRHSA-N 2 0 408.590 3.889 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385767 997814072 /nfs/dbraw/zinc/81/40/72/997814072.db2.gz OJIAKAHBLNPHHV-DSKINZAPSA-N 2 0 400.592 3.561 20 0 HHADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397707 997826361 /nfs/dbraw/zinc/82/63/61/997826361.db2.gz BHUQNQDVNQAAPV-JPYJTQIMSA-N 2 0 418.528 3.705 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000477168496 997835305 /nfs/dbraw/zinc/83/53/05/997835305.db2.gz YGVQNDKFGRZAPM-UHFFFAOYSA-N 2 0 414.638 3.893 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1Cl ZINC000485453549 997896672 /nfs/dbraw/zinc/89/66/72/997896672.db2.gz KANWCFKGLPPHJT-JRGCBEDISA-N 2 0 407.002 3.849 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000477468697 998185322 /nfs/dbraw/zinc/18/53/22/998185322.db2.gz GEJWWEJXYLTZQW-UHFFFAOYSA-N 2 0 407.002 3.724 20 0 HHADRP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000477941262 998670988 /nfs/dbraw/zinc/67/09/88/998670988.db2.gz RYUAGEBRTXEKTE-IBPRQYQWSA-N 2 0 400.513 3.616 20 0 HHADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319709 998711092 /nfs/dbraw/zinc/71/10/92/998711092.db2.gz KJGTZTIPMDUPGR-URVUXULASA-N 2 0 400.611 3.707 20 0 HHADRP C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486332032 998715892 /nfs/dbraw/zinc/71/58/92/998715892.db2.gz KOYVDNCUSQWYGT-JTHBVZDNSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345989 998722272 /nfs/dbraw/zinc/72/22/72/998722272.db2.gz NVVYLASQGGVKBB-SRUXOGRHSA-N 2 0 400.611 3.564 20 0 HHADRP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486964354 999020459 /nfs/dbraw/zinc/02/04/59/999020459.db2.gz KBPIRQLNOAWNLC-GMAHTHKFSA-N 2 0 400.611 3.852 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487120835 999068382 /nfs/dbraw/zinc/06/83/82/999068382.db2.gz QBYQSGHZKWVXCB-DEOSSOPVSA-N 2 0 405.586 3.579 20 0 HHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487262249 999116800 /nfs/dbraw/zinc/11/68/00/999116800.db2.gz AYSABSOKHYZCLW-GBXCKJPGSA-N 2 0 423.626 3.876 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802579 999147943 /nfs/dbraw/zinc/14/79/43/999147943.db2.gz SXCTYFWKYOPJFC-SIKLNZKXSA-N 2 0 412.578 3.981 20 0 HHADRP Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000478970057 999228551 /nfs/dbraw/zinc/22/85/51/999228551.db2.gz ZUTMEBXXXZAIAG-LJQANCHMSA-N 2 0 421.545 3.709 20 0 HHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(F)ccc1F ZINC000479080042 999284498 /nfs/dbraw/zinc/28/44/98/999284498.db2.gz NECKOLDCFUCGPT-OAQYLSRUSA-N 2 0 403.521 3.644 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479246486 999344723 /nfs/dbraw/zinc/34/47/23/999344723.db2.gz DJMVJNCSBNLYPT-LBPRGKRZSA-N 2 0 409.290 3.823 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1cccc(OC)c1 ZINC000488127779 999385014 /nfs/dbraw/zinc/38/50/14/999385014.db2.gz KTTUZGZRALDDOT-AUSIDOKSSA-N 2 0 416.610 3.594 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000479325616 999385941 /nfs/dbraw/zinc/38/59/41/999385941.db2.gz WEPWOQCNOPETOU-HXUWFJFHSA-N 2 0 413.566 3.838 20 0 HHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333308 999390060 /nfs/dbraw/zinc/39/00/60/999390060.db2.gz WOKLYUARYXNCKX-KBPBESRZSA-N 2 0 422.422 3.804 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479341950 999394815 /nfs/dbraw/zinc/39/48/15/999394815.db2.gz HEDBMWKJBXVHMA-RUZDIDTESA-N 2 0 415.585 3.787 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000479347030 999396390 /nfs/dbraw/zinc/39/63/90/999396390.db2.gz OVZBSHBFVRBVRQ-HSZRJFAPSA-N 2 0 409.574 3.618 20 0 HHADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000479360423 999403409 /nfs/dbraw/zinc/40/34/09/999403409.db2.gz PIFQDELSVYKHSH-HSZRJFAPSA-N 2 0 409.574 3.883 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCN(c4cc(OC)cc[nH+]4)CC3)c2cc1OCC ZINC000488179518 999403930 /nfs/dbraw/zinc/40/39/30/999403930.db2.gz KUALNVVXZITYCI-UHFFFAOYSA-N 2 0 408.502 3.762 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461064 999427229 /nfs/dbraw/zinc/42/72/29/999427229.db2.gz BESVVLJZTVNNRF-ICSRJNTNSA-N 2 0 401.576 3.621 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000488405165 999477200 /nfs/dbraw/zinc/47/72/00/999477200.db2.gz JGDDSPGJLHMNJE-QGZVFWFLSA-N 2 0 424.427 3.850 20 0 HHADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488551366 999525107 /nfs/dbraw/zinc/52/51/07/999525107.db2.gz UIBJQZKSMLKXNA-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488616188 999547135 /nfs/dbraw/zinc/54/71/35/999547135.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 2 0 420.601 3.815 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488648221 999557792 /nfs/dbraw/zinc/55/77/92/999557792.db2.gz XKJBYELSZJEQHR-FMRHZRETSA-N 2 0 410.606 3.555 20 0 HHADRP C(CN1CC[NH+](CC2CCCCC2)CC1)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000488755440 999597861 /nfs/dbraw/zinc/59/78/61/999597861.db2.gz AQYPHELLSUVBQY-UHFFFAOYSA-N 2 0 404.687 3.772 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000479810223 999605778 /nfs/dbraw/zinc/60/57/78/999605778.db2.gz TZGGIQXNGMFHBS-HXUWFJFHSA-N 2 0 401.599 3.523 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084140 999712683 /nfs/dbraw/zinc/71/26/83/999712683.db2.gz JBCHWHGXEIDUHI-ZPZUNKDASA-N 2 0 411.565 3.699 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738772 /nfs/dbraw/zinc/73/87/72/999738772.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 2 0 420.601 3.815 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000489327211 999746164 /nfs/dbraw/zinc/74/61/64/999746164.db2.gz KTBKZNJZENYBLK-TYBLODHISA-N 2 0 420.601 3.643 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489369246 999752999 /nfs/dbraw/zinc/75/29/99/999752999.db2.gz NKYFRRMQCITBOA-UHFFFAOYSA-N 2 0 411.546 3.744 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407770 999760599 /nfs/dbraw/zinc/76/05/99/999760599.db2.gz UUJMPHAZBFERBF-YKSBVNFPSA-N 2 0 408.590 3.848 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000489433181 999766491 /nfs/dbraw/zinc/76/64/91/999766491.db2.gz UYUZVCZLBIOIJN-CEMLEFRQSA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329050 999772592 /nfs/dbraw/zinc/77/25/92/999772592.db2.gz GATGLZLNQACHOM-YOEHRIQHSA-N 2 0 417.413 3.768 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000489536889 999787099 /nfs/dbraw/zinc/78/70/99/999787099.db2.gz YHVUMHKYZJRRFR-QMMLZNLJSA-N 2 0 400.592 3.561 20 0 HHADRP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000480537404 999821210 /nfs/dbraw/zinc/82/12/10/999821210.db2.gz PEYRVTAEFWEEKR-RXVVDRJESA-N 2 0 400.636 3.965 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735804 999827900 /nfs/dbraw/zinc/82/79/00/999827900.db2.gz GUDJQTUJUXHRIX-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748316 999830296 /nfs/dbraw/zinc/83/02/96/999830296.db2.gz SVCRWWTZCMULTF-XJUOHMSHSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000489821715 999844065 /nfs/dbraw/zinc/84/40/65/999844065.db2.gz BIUIRWXDNWYISF-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489822707 999844264 /nfs/dbraw/zinc/84/42/64/999844264.db2.gz ALPXHNMMCNAVAI-MQSCRBSSSA-N 2 0 400.611 3.708 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489829797 999845364 /nfs/dbraw/zinc/84/53/64/999845364.db2.gz JNTYSJVFDCNEQG-FYYLOGMGSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844561 999848196 /nfs/dbraw/zinc/84/81/96/999848196.db2.gz YBABQMZSMOTRCF-XUZZJYLKSA-N 2 0 408.590 3.670 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000489869743 999851846 /nfs/dbraw/zinc/85/18/46/999851846.db2.gz AJQALHSQONUHQR-OYRHEFFESA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000489977768 999872021 /nfs/dbraw/zinc/87/20/21/999872021.db2.gz BVURMQFDQGSHMF-XMMPIXPASA-N 2 0 409.574 3.716 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccs1 ZINC000490006310 999876369 /nfs/dbraw/zinc/87/63/69/999876369.db2.gz MAJQZFMXSSOWFR-HXUWFJFHSA-N 2 0 400.592 3.657 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490123826 999896428 /nfs/dbraw/zinc/89/64/28/999896428.db2.gz FVCKVRRFLDHZOJ-QFIPXVFZSA-N 2 0 403.517 3.993 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)cc1 ZINC000490129033 999897241 /nfs/dbraw/zinc/89/72/41/999897241.db2.gz BYUCMDLJPMWTAN-RUZDIDTESA-N 2 0 402.542 3.721 20 0 HHADRP Cc1nc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc2n1-c1ccccc1 ZINC000490134517 999898264 /nfs/dbraw/zinc/89/82/64/999898264.db2.gz BQHPQQCFGAUBKQ-UHFFFAOYSA-N 2 0 421.589 3.680 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490354381 999943232 /nfs/dbraw/zinc/94/32/32/999943232.db2.gz LJHFCWVKOPBLOR-SESVDKBCSA-N 2 0 417.395 3.926 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000490954895 1000027272 /nfs/dbraw/zinc/02/72/72/1000027272.db2.gz ODRRMVVCACAERE-MOPGFXCFSA-N 2 0 404.624 3.520 20 0 HHADRP Cc1ccc([C@H]([NH2+]CCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491003128 1000032744 /nfs/dbraw/zinc/03/27/44/1000032744.db2.gz DJLDJJBTRMMZGV-QHCPKHFHSA-N 2 0 400.588 3.809 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027249 1000035804 /nfs/dbraw/zinc/03/58/04/1000035804.db2.gz JEBCIDVNWDTFMF-FYYLOGMGSA-N 2 0 405.586 3.804 20 0 HHADRP C[C@@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000491029321 1000036250 /nfs/dbraw/zinc/03/62/50/1000036250.db2.gz HXWZJDBXYQDPJC-KKSFZXQISA-N 2 0 420.370 3.903 20 0 HHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000491059112 1000040630 /nfs/dbraw/zinc/04/06/30/1000040630.db2.gz JOJHHYIMOJCHEE-QFQXNSOFSA-N 2 0 404.602 3.581 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491336038 1000066283 /nfs/dbraw/zinc/06/62/83/1000066283.db2.gz TVWUOGCINVJCOW-IBGZPJMESA-N 2 0 416.614 3.658 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000491355310 1000067850 /nfs/dbraw/zinc/06/78/50/1000067850.db2.gz FRNBXHRIQUVCLY-OAQYLSRUSA-N 2 0 420.370 3.905 20 0 HHADRP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000491595735 1000087637 /nfs/dbraw/zinc/08/76/37/1000087637.db2.gz CYPHQLLWFCZARP-SFHVURJKSA-N 2 0 408.546 3.844 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000493033399 1000154559 /nfs/dbraw/zinc/15/45/59/1000154559.db2.gz DWPOJHPUZMSKSJ-HSZRJFAPSA-N 2 0 419.972 3.548 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000493245652 1000165065 /nfs/dbraw/zinc/16/50/65/1000165065.db2.gz DXJMSXCOEGICDE-LJQANCHMSA-N 2 0 407.327 3.724 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(Br)cs3)cn2)CC1 ZINC000493937435 1000225556 /nfs/dbraw/zinc/22/55/56/1000225556.db2.gz QGACRHDRAZJOLQ-CQSZACIVSA-N 2 0 409.397 3.898 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)[C@@H]4CCC[N@@H+]4C4CC4)cc3)CC2)c1 ZINC000494333770 1000438298 /nfs/dbraw/zinc/43/82/98/1000438298.db2.gz UEOXXMMBRXXCDX-VWLOTQADSA-N 2 0 418.585 3.883 20 0 HHADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000504907104 1000440662 /nfs/dbraw/zinc/44/06/62/1000440662.db2.gz CSNRZQHWCYIHJR-DEOSSOPVSA-N 2 0 406.574 3.569 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504965353 1000475986 /nfs/dbraw/zinc/47/59/86/1000475986.db2.gz LNZZFMBFWRZNSA-SFHVURJKSA-N 2 0 422.664 3.546 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH+](C)C ZINC000495196496 1000910090 /nfs/dbraw/zinc/91/00/90/1000910090.db2.gz UUTMDQLBALIHPX-DEOSSOPVSA-N 2 0 408.590 3.529 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738447 1001000826 /nfs/dbraw/zinc/00/08/26/1001000826.db2.gz SCVVIYFYJUCPHI-AWEZNQCLSA-N 2 0 410.971 3.545 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000505761461 1001010802 /nfs/dbraw/zinc/01/08/02/1001010802.db2.gz HAPAMEHLFOMFPR-WIOPSUGQSA-N 2 0 422.573 3.724 20 0 HHADRP COc1cc([C@H](C)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441030 1001013227 /nfs/dbraw/zinc/01/32/27/1001013227.db2.gz ZSQKYHWRLRKPTQ-UEXGIBASSA-N 2 0 416.587 3.660 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000495531113 1001041564 /nfs/dbraw/zinc/04/15/64/1001041564.db2.gz QDJKLURBARZUDM-MRXNPFEDSA-N 2 0 408.468 3.973 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496249191 1001147248 /nfs/dbraw/zinc/14/72/48/1001147248.db2.gz YUVUGWHYYRTWFI-RDPSFJRHSA-N 2 0 424.589 3.652 20 0 HHADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000506017605 1001166139 /nfs/dbraw/zinc/16/61/39/1001166139.db2.gz NOSMRQIGRRBDSU-SFHVURJKSA-N 2 0 414.550 3.631 20 0 HHADRP COc1ccc(CCC[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000497491304 1001398105 /nfs/dbraw/zinc/39/81/05/1001398105.db2.gz WZJZEMMXMDRCDB-UHFFFAOYSA-N 2 0 423.601 3.603 20 0 HHADRP CN(C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497503583 1001407001 /nfs/dbraw/zinc/40/70/01/1001407001.db2.gz LDZLJCCWMKSBMX-GURQWTFNSA-N 2 0 424.511 3.546 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000497562038 1001436451 /nfs/dbraw/zinc/43/64/51/1001436451.db2.gz SEHGWYYGWRGWDM-IBGZPJMESA-N 2 0 413.610 3.561 20 0 HHADRP CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1[NH+](C)C ZINC000497656992 1001474863 /nfs/dbraw/zinc/47/48/63/1001474863.db2.gz KLSXOLUGDMSCJK-NHCUHLMSSA-N 2 0 404.624 3.960 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497851945 1001537184 /nfs/dbraw/zinc/53/71/84/1001537184.db2.gz GUEOVFFZJPTVQY-LAUBAEHRSA-N 2 0 420.395 3.995 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000506951172 1001724576 /nfs/dbraw/zinc/72/45/76/1001724576.db2.gz MSGRFDBVOVUBPT-WOIUINJBSA-N 2 0 404.574 3.724 20 0 HHADRP Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204344 1001892758 /nfs/dbraw/zinc/89/27/58/1001892758.db2.gz KOXRIQXRZFPBCN-GMAHTHKFSA-N 2 0 405.586 3.954 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000507460652 1002084562 /nfs/dbraw/zinc/08/45/62/1002084562.db2.gz JBZDQFUHQIHWSS-HDICACEKSA-N 2 0 413.528 3.802 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000507471222 1002091187 /nfs/dbraw/zinc/09/11/87/1002091187.db2.gz OQIANKZJKDGZHR-HDICACEKSA-N 2 0 413.528 3.802 20 0 HHADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507505476 1002117394 /nfs/dbraw/zinc/11/73/94/1002117394.db2.gz DUKKHUMGKGEXTF-LILXYRQWSA-N 2 0 400.513 3.724 20 0 HHADRP O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000498888818 1002276348 /nfs/dbraw/zinc/27/63/48/1002276348.db2.gz AVPWCRLOOQQVNQ-UHFFFAOYSA-N 2 0 407.558 3.516 20 0 HHADRP Cn1ccnc1[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000507911113 1002445539 /nfs/dbraw/zinc/44/55/39/1002445539.db2.gz YMCYSTUBQUZOBG-XMMPIXPASA-N 2 0 422.548 3.956 20 0 HHADRP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113375 1002502593 /nfs/dbraw/zinc/50/25/93/1002502593.db2.gz PLVHPLSATIAUEH-NDBXHCKUSA-N 2 0 418.585 3.744 20 0 HHADRP Fc1cccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139405 1002524115 /nfs/dbraw/zinc/52/41/15/1002524115.db2.gz OXBNAPADZGLAIV-SSUZURRFSA-N 2 0 423.576 3.984 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000508251718 1002773482 /nfs/dbraw/zinc/77/34/82/1002773482.db2.gz OGFFWBVTEMGMDK-APWZRJJASA-N 2 0 410.965 3.503 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000508339877 1002842765 /nfs/dbraw/zinc/84/27/65/1002842765.db2.gz PVXTZVHFURNRPQ-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718982 1003158905 /nfs/dbraw/zinc/15/89/05/1003158905.db2.gz OOMSCOCFWQTULM-HUROMRQRSA-N 3 0 420.645 3.865 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[NH+](C)C ZINC000508868482 1003288620 /nfs/dbraw/zinc/28/86/20/1003288620.db2.gz FTTNQADKGBHRNJ-AUSIDOKSSA-N 2 0 412.578 3.885 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000508889999 1003318154 /nfs/dbraw/zinc/31/81/54/1003318154.db2.gz FHGRXFFTLPQEKR-YKSBVNFPSA-N 2 0 423.605 3.939 20 0 HHADRP C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508897648 1003329149 /nfs/dbraw/zinc/32/91/49/1003329149.db2.gz OHIDZQXMIVMMGF-NZJKTDFXSA-N 2 0 420.601 3.985 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508905474 1003343597 /nfs/dbraw/zinc/34/35/97/1003343597.db2.gz LEYYUIVXCMLXKI-AGILITTLSA-N 2 0 423.605 3.769 20 0 HHADRP C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500037627 1003362974 /nfs/dbraw/zinc/36/29/74/1003362974.db2.gz KDABMDTZOCESOO-QGZVFWFLSA-N 2 0 418.994 3.544 20 0 HHADRP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000508941895 1003394254 /nfs/dbraw/zinc/39/42/54/1003394254.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 2 0 411.512 3.820 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114970 1003476756 /nfs/dbraw/zinc/47/67/56/1003476756.db2.gz YTJPGFJHBREALZ-ROKPMTFOSA-N 2 0 423.605 3.906 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509462124 1003880003 /nfs/dbraw/zinc/88/00/03/1003880003.db2.gz GCNQALRZVORTIZ-KRWDZBQOSA-N 2 0 402.380 3.842 20 0 HHADRP Cn1cc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)s2)cn1 ZINC000509474816 1003888425 /nfs/dbraw/zinc/88/84/25/1003888425.db2.gz CFCONTJEEMUDRM-UHFFFAOYSA-N 2 0 409.603 3.841 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000500689331 1003897044 /nfs/dbraw/zinc/89/70/44/1003897044.db2.gz RXIBCKMNDVOIMF-PMACEKPBSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719521 1003918890 /nfs/dbraw/zinc/91/88/90/1003918890.db2.gz IGQCVGFEDKVAKF-BGYRXZFFSA-N 2 0 415.626 3.696 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000500753451 1003937823 /nfs/dbraw/zinc/93/78/23/1003937823.db2.gz IXTAAPZYXPQUCS-HSZRJFAPSA-N 2 0 409.578 3.551 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604392 1003974115 /nfs/dbraw/zinc/97/41/15/1003974115.db2.gz SWZMASLESVOBLA-NQIIRXRSSA-N 2 0 413.566 3.662 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500818365 1003977797 /nfs/dbraw/zinc/97/77/97/1003977797.db2.gz PRJPIGHZCNFQLO-DEOSSOPVSA-N 2 0 421.589 3.777 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509709394 1004042959 /nfs/dbraw/zinc/04/29/59/1004042959.db2.gz BTZCTDXUFMSWDR-IRLDBZIGSA-N 2 0 400.611 3.707 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509766224 1004081568 /nfs/dbraw/zinc/08/15/68/1004081568.db2.gz HACRPVMRDRRLIN-PZJWPPBQSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)C[C@@H](C)O1 ZINC000512188272 1004089462 /nfs/dbraw/zinc/08/94/62/1004089462.db2.gz XSGLKHZPBVJAGY-HZPDHXFCSA-N 2 0 404.505 3.676 20 0 HHADRP CCN(C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501017747 1004120751 /nfs/dbraw/zinc/12/07/51/1004120751.db2.gz BRSHIJMQKLEBCA-IBGZPJMESA-N 2 0 412.553 3.979 20 0 HHADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135737 /nfs/dbraw/zinc/13/57/37/1004135737.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 2 0 418.585 3.612 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136070 /nfs/dbraw/zinc/13/60/70/1004136070.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 2 0 418.585 3.612 20 0 HHADRP C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050656 1004152547 /nfs/dbraw/zinc/15/25/47/1004152547.db2.gz DYQXROJKMKFFRH-IBGZPJMESA-N 2 0 424.372 3.977 20 0 HHADRP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071919 1004174882 /nfs/dbraw/zinc/17/48/82/1004174882.db2.gz ARZODEYUFKWUBH-MRXNPFEDSA-N 2 0 409.559 3.867 20 0 HHADRP COc1cc(-c2noc(C[N@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)n2)ccc1C ZINC000501078566 1004183413 /nfs/dbraw/zinc/18/34/13/1004183413.db2.gz KGOPFIRDUFHPPZ-UHFFFAOYSA-N 2 0 407.518 3.797 20 0 HHADRP C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091275 1004196747 /nfs/dbraw/zinc/19/67/47/1004196747.db2.gz VDRGPYBRWMRCOK-HXUWFJFHSA-N 2 0 423.479 3.689 20 0 HHADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293927 1004197880 /nfs/dbraw/zinc/19/78/80/1004197880.db2.gz NIZSXLUAOYYQQK-ISKFKSNPSA-N 2 0 414.977 3.816 20 0 HHADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312539 1004209619 /nfs/dbraw/zinc/20/96/19/1004209619.db2.gz DREYQXSUKJDVEC-KNKQGSTJSA-N 2 0 401.595 3.847 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000512322255 1004216051 /nfs/dbraw/zinc/21/60/51/1004216051.db2.gz IQFWTWRJEBNUNJ-CMKODMSKSA-N 2 0 405.608 3.530 20 0 HHADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1F ZINC000501133496 1004225482 /nfs/dbraw/zinc/22/54/82/1004225482.db2.gz KGRHYHILEABYEX-UHFFFAOYSA-N 2 0 400.380 3.826 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512399506 1004271486 /nfs/dbraw/zinc/27/14/86/1004271486.db2.gz KGGJXYOKNXUVBC-UHFFFAOYSA-N 2 0 418.532 3.702 20 0 HHADRP C[C@@H](CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC000512410374 1004278242 /nfs/dbraw/zinc/27/82/42/1004278242.db2.gz RPOZTMSMFQARDW-OZXSUGGESA-N 2 0 407.602 3.874 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423395 1004289886 /nfs/dbraw/zinc/28/98/86/1004289886.db2.gz GIUBKDVVDJMOHE-IFMALSPDSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425060 1004291085 /nfs/dbraw/zinc/29/10/85/1004291085.db2.gz WXXHBCGDFXEGHF-UNMCSNQZSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)CC2 ZINC000512429793 1004296501 /nfs/dbraw/zinc/29/65/01/1004296501.db2.gz JOIGMKMJWSZDFT-XGAJZPNHSA-N 2 0 412.622 3.944 20 0 HHADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512434618 1004300315 /nfs/dbraw/zinc/30/03/15/1004300315.db2.gz ZJMUBCPQSMOKQT-QFIPXVFZSA-N 2 0 422.997 3.832 20 0 HHADRP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(-c2ccccc2Cl)n1 ZINC000512450313 1004311626 /nfs/dbraw/zinc/31/16/26/1004311626.db2.gz QTSSGGBVJSDJMQ-UHFFFAOYSA-N 2 0 402.970 3.675 20 0 HHADRP CC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000501364367 1004369333 /nfs/dbraw/zinc/36/93/33/1004369333.db2.gz SLJHSELJKJCMLA-RUZDIDTESA-N 2 0 420.601 3.741 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387592 1004383625 /nfs/dbraw/zinc/38/36/25/1004383625.db2.gz IADCSYLSISTWLD-JTHBVZDNSA-N 2 0 400.611 3.805 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391656 1004386538 /nfs/dbraw/zinc/38/65/38/1004386538.db2.gz MXORZUICMDFBIS-UCFCWBNQSA-N 2 0 424.589 3.508 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4N4CCOCC4)[C@@H]3C2)cc1 ZINC000512612305 1004425659 /nfs/dbraw/zinc/42/56/59/1004425659.db2.gz OJOSIQFWSVWATN-GVAUOCQISA-N 2 0 405.586 3.914 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616821 1004429597 /nfs/dbraw/zinc/42/95/97/1004429597.db2.gz CTTFNOWIHKLAHM-FXSWLTOZSA-N 2 0 417.597 3.925 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)C1 ZINC000501472914 1004447316 /nfs/dbraw/zinc/44/73/16/1004447316.db2.gz FYSABNPBIQHLFW-GMKZXUHWSA-N 2 0 406.574 3.595 20 0 HHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000512637091 1004449422 /nfs/dbraw/zinc/44/94/22/1004449422.db2.gz RIHRBPBOJMDSLM-RXBPMRIASA-N 2 0 412.618 3.911 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510345319 1004496840 /nfs/dbraw/zinc/49/68/40/1004496840.db2.gz ZBYXZLFTEPYIGQ-UNMCSNQZSA-N 2 0 412.622 3.993 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC000512800966 1004567135 /nfs/dbraw/zinc/56/71/35/1004567135.db2.gz BTKPRNKNLZFQSG-VCOUNFBDSA-N 2 0 404.599 3.591 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510505359 1004627344 /nfs/dbraw/zinc/62/73/44/1004627344.db2.gz XFBGITCANFEBNH-IRLDBZIGSA-N 2 0 412.622 3.912 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501710994 1004631301 /nfs/dbraw/zinc/63/13/01/1004631301.db2.gz USDYNIUXIOLGNR-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000510525342 1004653921 /nfs/dbraw/zinc/65/39/21/1004653921.db2.gz MWAPZZQVBROGHV-HARLFGEKSA-N 2 0 400.611 3.804 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000501738257 1004664477 /nfs/dbraw/zinc/66/44/77/1004664477.db2.gz VJJXBTXYGWCTMQ-OALUTQOASA-N 2 0 421.029 3.972 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544867 1004677228 /nfs/dbraw/zinc/67/72/28/1004677228.db2.gz JQMLJTVCIHLSNP-NLWGTHIKSA-N 2 0 404.624 3.837 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000512911764 1004681977 /nfs/dbraw/zinc/68/19/77/1004681977.db2.gz JWTWDSAGJHRKIT-FYYLOGMGSA-N 2 0 416.610 3.736 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000512919522 1004691396 /nfs/dbraw/zinc/69/13/96/1004691396.db2.gz ZXISDTNPKOICBA-IRLDBZIGSA-N 2 0 404.599 3.592 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501768480 1004705408 /nfs/dbraw/zinc/70/54/08/1004705408.db2.gz WATKTMXMERUJLN-IBGZPJMESA-N 2 0 410.400 3.604 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501775759 1004714693 /nfs/dbraw/zinc/71/46/93/1004714693.db2.gz NHGGPYMTTUVBIX-UHFFFAOYSA-N 2 0 411.594 3.872 20 0 HHADRP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501779911 1004719492 /nfs/dbraw/zinc/71/94/92/1004719492.db2.gz ZLLQTEGFWIXBLS-OAHLLOKOSA-N 2 0 401.473 3.966 20 0 HHADRP Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782860 1004724074 /nfs/dbraw/zinc/72/40/74/1004724074.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 2 0 409.578 3.842 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000501785704 1004727991 /nfs/dbraw/zinc/72/79/91/1004727991.db2.gz MSIYYGCCDKXIRW-UHFFFAOYSA-N 2 0 406.958 3.960 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501801330 1004743352 /nfs/dbraw/zinc/74/33/52/1004743352.db2.gz SPSPPBOXCUTILU-DNQXCXABSA-N 2 0 406.574 3.960 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000510640874 1004771946 /nfs/dbraw/zinc/77/19/46/1004771946.db2.gz WGTICQPXNQYALB-QKNQBKEWSA-N 2 0 413.610 3.559 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510640873 1004772014 /nfs/dbraw/zinc/77/20/14/1004772014.db2.gz WGTICQPXNQYALB-IRFCIJBXSA-N 2 0 413.610 3.559 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000513084922 1004797594 /nfs/dbraw/zinc/79/75/94/1004797594.db2.gz YFCDPFIKHWUOEW-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000510740955 1004826928 /nfs/dbraw/zinc/82/69/28/1004826928.db2.gz WUVWBLZSDNBUOM-HXUWFJFHSA-N 2 0 416.363 3.518 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000513267486 1004887552 /nfs/dbraw/zinc/88/75/52/1004887552.db2.gz MECJCJIVEFJTID-HSZRJFAPSA-N 2 0 409.599 3.630 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000502105652 1004905370 /nfs/dbraw/zinc/90/53/70/1004905370.db2.gz BXUDACJRMZXCAP-WOJBJXKFSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502150449 1004925059 /nfs/dbraw/zinc/92/50/59/1004925059.db2.gz SWMNETLJFPTOMM-MNEFBYGVSA-N 2 0 412.500 3.576 20 0 HHADRP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372342 1004931764 /nfs/dbraw/zinc/93/17/64/1004931764.db2.gz PHZCCBXEXGDHJW-ILBGXUMGSA-N 2 0 421.585 3.503 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000502167107 1004934625 /nfs/dbraw/zinc/93/46/25/1004934625.db2.gz ATDLKDDUFNDGHU-MNEFBYGVSA-N 2 0 412.500 3.576 20 0 HHADRP O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000510942854 1004946365 /nfs/dbraw/zinc/94/63/65/1004946365.db2.gz COFSSEYCCZCXJR-ASDGIDEWSA-N 2 0 417.597 3.720 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000502194249 1004950836 /nfs/dbraw/zinc/95/08/36/1004950836.db2.gz IMBHCVKXXMBICC-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)CC1 ZINC000513460979 1004976393 /nfs/dbraw/zinc/97/63/93/1004976393.db2.gz JBTNJELJONHWML-NRFANRHFSA-N 2 0 401.501 3.969 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000513486403 1004986557 /nfs/dbraw/zinc/98/65/57/1004986557.db2.gz YBVINFAHBMTQSY-IBGZPJMESA-N 2 0 418.379 3.921 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000513501803 1004993178 /nfs/dbraw/zinc/99/31/78/1004993178.db2.gz VPLRZQQWSIBNHA-UHFFFAOYSA-N 2 0 413.871 3.940 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[C@@H](c2ccccc2)C1 ZINC000513518440 1005001788 /nfs/dbraw/zinc/00/17/88/1005001788.db2.gz MKAUERKACIWYRE-IZZNHLLZSA-N 2 0 415.585 3.729 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000513542536 1005014503 /nfs/dbraw/zinc/01/45/03/1005014503.db2.gz FJYRQVZDHTYEDE-QUCCMNQESA-N 2 0 413.566 3.672 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000513713600 1005092797 /nfs/dbraw/zinc/09/27/97/1005092797.db2.gz QJOIUCOMACWWSG-FKBYEOEOSA-N 2 0 417.550 3.589 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511274766 1005103080 /nfs/dbraw/zinc/10/30/80/1005103080.db2.gz BSYRLKNKIRAQIL-UHFFFAOYSA-N 2 0 423.626 3.672 20 0 HHADRP C[C@@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309446 1005118577 /nfs/dbraw/zinc/11/85/77/1005118577.db2.gz ROGPGFFSLFBEPV-FYYLOGMGSA-N 2 0 414.638 3.845 20 0 HHADRP C[C@H](NC(=O)N(CCCc1ccccc1)CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309475 1005119028 /nfs/dbraw/zinc/11/90/28/1005119028.db2.gz ROGPGFFSLFBEPV-JTHBVZDNSA-N 2 0 414.638 3.845 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000513831118 1005150247 /nfs/dbraw/zinc/15/02/47/1005150247.db2.gz KMVRWMCNRSDJTK-SFTDATJTSA-N 2 0 415.622 3.880 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511410686 1005164382 /nfs/dbraw/zinc/16/43/82/1005164382.db2.gz PBJGSIAJAKGQQQ-JFJDKTSWSA-N 2 0 412.622 3.992 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453744 1005183164 /nfs/dbraw/zinc/18/31/64/1005183164.db2.gz KUQPZEVKKBLCDF-GHBBCFCZSA-N 2 0 407.986 3.609 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)CC2)CC1 ZINC000502796169 1005221123 /nfs/dbraw/zinc/22/11/23/1005221123.db2.gz ZVUIKBIWEFTPQP-UHFFFAOYSA-N 2 0 418.601 3.942 20 0 HHADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086550 1005259450 /nfs/dbraw/zinc/25/94/50/1005259450.db2.gz BEYQFDZQSZNIMS-RYFZRTLDSA-N 2 0 409.977 3.703 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccccc3-n3ccnn3)CC2)c1 ZINC000514090713 1005261076 /nfs/dbraw/zinc/26/10/76/1005261076.db2.gz WHLXTYSYYCNWNX-QFIPXVFZSA-N 2 0 418.589 3.829 20 0 HHADRP Cc1ccc2c(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)ccc(O)c2n1 ZINC000514111128 1005270498 /nfs/dbraw/zinc/27/04/98/1005270498.db2.gz MVMODPVUNQWCJA-UHFFFAOYSA-N 2 0 420.557 3.511 20 0 HHADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000503028534 1005320000 /nfs/dbraw/zinc/32/00/00/1005320000.db2.gz DINZFGHXRVQXLV-NRFANRHFSA-N 2 0 408.590 3.813 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000514235589 1005325440 /nfs/dbraw/zinc/32/54/40/1005325440.db2.gz FSHGQIFCXWFULH-PKTZIBPZSA-N 2 0 415.626 3.588 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000514235046 1005325815 /nfs/dbraw/zinc/32/58/15/1005325815.db2.gz WIIXHQGNFDWZLI-QHCPKHFHSA-N 2 0 423.582 3.887 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238511 1005327093 /nfs/dbraw/zinc/32/70/93/1005327093.db2.gz FDOZKLJRXDIEMV-MQSCRBSSSA-N 2 0 405.586 3.895 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[NH+](C)C)c1 ZINC000503109566 1005349551 /nfs/dbraw/zinc/34/95/51/1005349551.db2.gz VBIRPPAGGDBZSG-GCJKJVERSA-N 2 0 412.578 3.727 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110889 1005349982 /nfs/dbraw/zinc/34/99/82/1005349982.db2.gz VHUHZHNNWIWEKL-QFIPXVFZSA-N 2 0 410.562 3.723 20 0 HHADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200429 1005367232 /nfs/dbraw/zinc/36/72/32/1005367232.db2.gz VHHPFCWJYRMNCP-ZEQRLZLVSA-N 2 0 414.638 3.607 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000503312664 1005388447 /nfs/dbraw/zinc/38/84/47/1005388447.db2.gz QCTXLSMEUJLSNX-YADHBBJMSA-N 2 0 412.622 3.587 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000503312662 1005388487 /nfs/dbraw/zinc/38/84/87/1005388487.db2.gz QCTXLSMEUJLSNX-VXKWHMMOSA-N 2 0 412.622 3.587 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356762 1005397086 /nfs/dbraw/zinc/39/70/86/1005397086.db2.gz OHVRRGBQEMWANZ-SFLYRZDNSA-N 2 0 408.590 3.808 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503386196 1005404959 /nfs/dbraw/zinc/40/49/59/1005404959.db2.gz LPFULXDPWAZEER-ZRBLBEILSA-N 2 0 406.659 3.898 20 0 HHADRP O=C(C[NH2+][C@@H]1CCCC12CCOCC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503417657 1005414319 /nfs/dbraw/zinc/41/43/19/1005414319.db2.gz WFBQDBZFNHLZTQ-LEWJYISDSA-N 2 0 419.997 3.532 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000503446951 1005422938 /nfs/dbraw/zinc/42/29/38/1005422938.db2.gz NMIWBZJFAKZQPC-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000503707014 1005483789 /nfs/dbraw/zinc/48/37/89/1005483789.db2.gz ZGZUNTUSPJBVTB-LJQANCHMSA-N 2 0 400.567 3.791 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000503952797 1005518273 /nfs/dbraw/zinc/51/82/73/1005518273.db2.gz KSHSOUZVPTXXDY-SFHVURJKSA-N 2 0 407.002 3.868 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504434633 1005627937 /nfs/dbraw/zinc/62/79/37/1005627937.db2.gz DWEYDRFJMKZJJA-NRFANRHFSA-N 2 0 423.605 3.729 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000531207279 1006047509 /nfs/dbraw/zinc/04/75/09/1006047509.db2.gz GSLFYOCGIIUCJF-UGKGYDQZSA-N 2 0 412.603 3.867 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000531380540 1006162920 /nfs/dbraw/zinc/16/29/20/1006162920.db2.gz HDNULBHCKUFSIX-LJQANCHMSA-N 2 0 422.525 3.882 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000531441976 1006198113 /nfs/dbraw/zinc/19/81/13/1006198113.db2.gz LUWZIZGOAHEAFS-UHFFFAOYSA-N 2 0 406.574 3.729 20 0 HHADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534205723 1006199206 /nfs/dbraw/zinc/19/92/06/1006199206.db2.gz VZUUNTFNMQZUJO-YZLZLFLDSA-N 2 0 410.965 3.644 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534250099 1006257406 /nfs/dbraw/zinc/25/74/06/1006257406.db2.gz IJNTUNYTBZTDLO-RXVVDRJESA-N 2 0 424.992 3.893 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000534257254 1006266218 /nfs/dbraw/zinc/26/62/18/1006266218.db2.gz RLDYQORMMXSRLV-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)CC(C)C ZINC000515232352 1006348086 /nfs/dbraw/zinc/34/80/86/1006348086.db2.gz AONRWJAZNXGYRE-HXUWFJFHSA-N 2 0 403.615 3.707 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000531687521 1006354206 /nfs/dbraw/zinc/35/42/06/1006354206.db2.gz FKKQPFCUERAKHJ-IBGZPJMESA-N 2 0 403.368 3.837 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534441190 1006418713 /nfs/dbraw/zinc/41/87/13/1006418713.db2.gz DKRDPVJDRWCOMO-TXTKFYIRSA-N 2 0 412.622 3.516 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000531785773 1006426930 /nfs/dbraw/zinc/42/69/30/1006426930.db2.gz GXHYRYSFTWOCJP-UHFFFAOYSA-N 2 0 422.495 3.845 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000531885195 1006498648 /nfs/dbraw/zinc/49/86/48/1006498648.db2.gz KYSREZFDOPIAQU-XVAYZXCPSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517465 1006509895 /nfs/dbraw/zinc/50/98/95/1006509895.db2.gz RNYWMPQJZXPYGM-OALUTQOASA-N 2 0 423.557 3.949 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(OC(F)(F)F)cc43)cn2)CC1 ZINC000531942030 1006534715 /nfs/dbraw/zinc/53/47/15/1006534715.db2.gz MXKAGDBJNLCLCQ-IBGZPJMESA-N 2 0 406.452 3.509 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000515797107 1006678748 /nfs/dbraw/zinc/67/87/48/1006678748.db2.gz FGURUCBQWGHISP-UHFFFAOYSA-N 2 0 421.589 3.896 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000515809983 1006690439 /nfs/dbraw/zinc/69/04/39/1006690439.db2.gz FYOSUVUJIIXHGW-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000515825326 1006701949 /nfs/dbraw/zinc/70/19/49/1006701949.db2.gz OBQBLOWJGQGIDM-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183867 1006703189 /nfs/dbraw/zinc/70/31/89/1006703189.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 2 0 412.622 3.797 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000515841349 1006710768 /nfs/dbraw/zinc/71/07/68/1006710768.db2.gz RERNHZTZRAXHHQ-UHFFFAOYSA-N 2 0 404.574 3.601 20 0 HHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000532197637 1006713358 /nfs/dbraw/zinc/71/33/58/1006713358.db2.gz UXBDCTQMTKKCME-IFMALSPDSA-N 2 0 412.553 3.797 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000515863674 1006723219 /nfs/dbraw/zinc/72/32/19/1006723219.db2.gz IHVYPWYNCLSRCL-UHFFFAOYSA-N 2 0 400.611 3.805 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000538499166 1006767951 /nfs/dbraw/zinc/76/79/51/1006767951.db2.gz XXAYUTXMSXKFIY-QFIPXVFZSA-N 2 0 408.590 3.596 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000532329048 1006796438 /nfs/dbraw/zinc/79/64/38/1006796438.db2.gz QTELQWCXLHZBQB-UHFFFAOYSA-N 2 0 407.606 3.682 20 0 HHADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532409903 1006854972 /nfs/dbraw/zinc/85/49/72/1006854972.db2.gz HZBCTMLOIYNULZ-OTWHNJEPSA-N 2 0 422.013 3.681 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(-c2cnn(C)c2)c1 ZINC000516074650 1006866765 /nfs/dbraw/zinc/86/67/65/1006866765.db2.gz VPAALPYLLBPFGN-UHFFFAOYSA-N 2 0 404.558 3.642 20 0 HHADRP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000532486491 1006926212 /nfs/dbraw/zinc/92/62/12/1006926212.db2.gz WFGYQLANWYNCNB-HNNXBMFYSA-N 2 0 401.624 3.605 20 0 HHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506823 1006946899 /nfs/dbraw/zinc/94/68/99/1006946899.db2.gz NJSJKKUHYBUXLS-JYBLXFRWSA-N 2 0 413.587 3.904 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920704 1006955944 /nfs/dbraw/zinc/95/59/44/1006955944.db2.gz TWABXEMINPXGDU-JWQCQUIFSA-N 2 0 423.601 3.530 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1sccc1Br ZINC000532519072 1006957426 /nfs/dbraw/zinc/95/74/26/1006957426.db2.gz GLKOGFQBVSGWRJ-ZDUSSCGKSA-N 2 0 416.429 3.788 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000534963302 1007013245 /nfs/dbraw/zinc/01/32/45/1007013245.db2.gz YXZSTTQWPRUUBS-JXFKEZNVSA-N 2 0 410.965 3.646 20 0 HHADRP COc1ccccc1/C=C/C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000538734867 1007015913 /nfs/dbraw/zinc/01/59/13/1007015913.db2.gz HVCUMSASIZKLDS-XYOKQWHBSA-N 2 0 421.585 3.669 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534969395 1007024044 /nfs/dbraw/zinc/02/40/44/1007024044.db2.gz RIMHPWYARNJNTK-UTKZUKDTSA-N 2 0 422.976 3.646 20 0 HHADRP COc1ccc(CCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1OC ZINC000538839064 1007110665 /nfs/dbraw/zinc/11/06/65/1007110665.db2.gz JIOHONGNVCGLRO-UHFFFAOYSA-N 2 0 417.981 3.831 20 0 HHADRP Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000532708129 1007122264 /nfs/dbraw/zinc/12/22/64/1007122264.db2.gz QOZAGIKMUNJUGB-OFNKIYASSA-N 2 0 408.590 3.846 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582065 1007166880 /nfs/dbraw/zinc/16/68/80/1007166880.db2.gz PTRYXUHOJWHKKO-WMZHIEFXSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947210 1007232692 /nfs/dbraw/zinc/23/26/92/1007232692.db2.gz YZWBDKKPUNTUSG-SFHVURJKSA-N 2 0 412.603 3.655 20 0 HHADRP COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000532949646 1007320260 /nfs/dbraw/zinc/32/02/60/1007320260.db2.gz NQKNMQJHDPGZLR-HXUWFJFHSA-N 2 0 421.585 3.613 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956654 1007323493 /nfs/dbraw/zinc/32/34/93/1007323493.db2.gz CWACNOQXJUXNPV-MXEMCNAFSA-N 2 0 413.606 3.564 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539042749 1007339622 /nfs/dbraw/zinc/33/96/22/1007339622.db2.gz JLOZDTDXJCONSF-LMMKCTJWSA-N 2 0 405.384 3.924 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000532985061 1007356383 /nfs/dbraw/zinc/35/63/83/1007356383.db2.gz AEEQOQVDHTWQMM-IBGZPJMESA-N 2 0 412.578 3.706 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000539071211 1007363025 /nfs/dbraw/zinc/36/30/25/1007363025.db2.gz PDZNKEFHUXXVPZ-SFHVURJKSA-N 2 0 412.553 3.568 20 0 HHADRP COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)c(C)c2c1 ZINC000539074021 1007365360 /nfs/dbraw/zinc/36/53/60/1007365360.db2.gz STLUTFUVWCFANK-KRWDZBQOSA-N 2 0 409.530 3.892 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000533010671 1007375121 /nfs/dbraw/zinc/37/51/21/1007375121.db2.gz VTDKNVIMDJJGBF-JRGCBEDISA-N 2 0 404.986 3.601 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000533038981 1007398487 /nfs/dbraw/zinc/39/84/87/1007398487.db2.gz ZYIJPPXXIKYFGY-UHFFFAOYSA-N 2 0 414.553 3.864 20 0 HHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3OCC(=O)N3CCCC3)CC2)CC1 ZINC000533104241 1007456527 /nfs/dbraw/zinc/45/65/27/1007456527.db2.gz BLCOTMYHUBEMBB-UHFFFAOYSA-N 2 0 413.606 3.821 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000535397311 1007462925 /nfs/dbraw/zinc/46/29/25/1007462925.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 2 0 420.601 3.985 20 0 HHADRP COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288812 1007600977 /nfs/dbraw/zinc/60/09/77/1007600977.db2.gz CGYSAJRZGXKONQ-UNMCSNQZSA-N 2 0 421.585 3.654 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539306338 1007603730 /nfs/dbraw/zinc/60/37/30/1007603730.db2.gz SHIOUOGQAGKQED-HNAYVOBHSA-N 2 0 412.441 3.849 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539306339 1007603827 /nfs/dbraw/zinc/60/38/27/1007603827.db2.gz SHIOUOGQAGKQED-KXBFYZLASA-N 2 0 412.441 3.849 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000539306582 1007604329 /nfs/dbraw/zinc/60/43/29/1007604329.db2.gz KFOXAGLZDFNUHO-KXBFYZLASA-N 2 0 412.441 3.849 20 0 HHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000539307488 1007605365 /nfs/dbraw/zinc/60/53/65/1007605365.db2.gz ZSTYWYAOTBEQFM-AUUYWEPGSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000539311644 1007610171 /nfs/dbraw/zinc/61/01/71/1007610171.db2.gz DZZFZKKVOMSEBC-GOSISDBHSA-N 2 0 412.553 3.520 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535655647 1007669658 /nfs/dbraw/zinc/66/96/58/1007669658.db2.gz OWAQFUHQZFXUHM-WIYYLYMNSA-N 2 0 424.992 3.893 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000535702580 1007740005 /nfs/dbraw/zinc/74/00/05/1007740005.db2.gz UUOFUUMVMPMTBP-CNTRQJEFSA-N 2 0 424.992 3.986 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533479958 1007786735 /nfs/dbraw/zinc/78/67/35/1007786735.db2.gz SIHIXPYMETUHCF-HXUWFJFHSA-N 2 0 421.585 3.741 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000535826649 1007842068 /nfs/dbraw/zinc/84/20/68/1007842068.db2.gz LHLHPKNPJBYKDC-REHUZNOOSA-N 2 0 402.579 3.566 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000517730407 1007935605 /nfs/dbraw/zinc/93/56/05/1007935605.db2.gz VNFVEPOBJDRAGR-XMMPIXPASA-N 2 0 405.586 3.722 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000536017410 1008056486 /nfs/dbraw/zinc/05/64/86/1008056486.db2.gz JOJCRVQVASRRDR-IEZKXTBUSA-N 2 0 422.617 3.854 20 0 HHADRP NC(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000517931347 1008061849 /nfs/dbraw/zinc/06/18/49/1008061849.db2.gz CBFVDDFAXTUEFC-SFHVURJKSA-N 2 0 422.392 3.539 20 0 HHADRP Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533737372 1008062907 /nfs/dbraw/zinc/06/29/07/1008062907.db2.gz SLFATDBKJQLLLE-KRWDZBQOSA-N 2 0 421.655 3.836 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000539820539 1008114022 /nfs/dbraw/zinc/11/40/22/1008114022.db2.gz MANIZXUPPGYWCJ-XMMPIXPASA-N 2 0 423.649 3.829 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536100526 1008124638 /nfs/dbraw/zinc/12/46/38/1008124638.db2.gz VWNHIRNWKMZRRP-ISKFKSNPSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000533813593 1008129981 /nfs/dbraw/zinc/12/99/81/1008129981.db2.gz RRZGHWTZPGMYSV-RDPSFJRHSA-N 2 0 408.590 3.684 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000518096278 1008156784 /nfs/dbraw/zinc/15/67/84/1008156784.db2.gz VFSNKGSTMOLNAP-JOCHJYFZSA-N 2 0 416.610 3.567 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000539906076 1008176767 /nfs/dbraw/zinc/17/67/67/1008176767.db2.gz ATFRZQGDROHVNZ-SANMLTNESA-N 2 0 421.585 3.537 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000539974557 1008216354 /nfs/dbraw/zinc/21/63/54/1008216354.db2.gz QIALLMQQVQKWSD-UHFFFAOYSA-N 2 0 421.589 3.767 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000518306199 1008251946 /nfs/dbraw/zinc/25/19/46/1008251946.db2.gz DQMRYFIMEPKNRW-UHFFFAOYSA-N 2 0 414.638 3.895 20 0 HHADRP c1cncc(CC2CC[NH+](CCOCC[NH+]3CCC(Cc4cccnc4)CC3)CC2)c1 ZINC000540042013 1008252339 /nfs/dbraw/zinc/25/23/39/1008252339.db2.gz CVRLMGAMWAYGDU-UHFFFAOYSA-N 2 0 422.617 3.702 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000540044213 1008253459 /nfs/dbraw/zinc/25/34/59/1008253459.db2.gz PNALAESMDXUBKR-OAQYLSRUSA-N 2 0 414.500 3.704 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045473 1008254636 /nfs/dbraw/zinc/25/46/36/1008254636.db2.gz PAOPDFVUXPZNSB-UXHICEINSA-N 2 0 406.574 3.986 20 0 HHADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000540080387 1008276319 /nfs/dbraw/zinc/27/63/19/1008276319.db2.gz QEBDNAZQTWBPPO-UHFFFAOYSA-N 2 0 413.610 3.596 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1SC ZINC000540171271 1008321124 /nfs/dbraw/zinc/32/11/24/1008321124.db2.gz QADXQHRRRBIYDS-INIZCTEOSA-N 2 0 401.576 3.559 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000540172777 1008322091 /nfs/dbraw/zinc/32/20/91/1008322091.db2.gz UXTKMEHOKLKASN-WIOPSUGQSA-N 2 0 421.585 3.770 20 0 HHADRP CCOC(=O)COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000540187191 1008327795 /nfs/dbraw/zinc/32/77/95/1008327795.db2.gz VENOIAZNMUURIQ-KNQAVFIVSA-N 2 0 402.579 3.804 20 0 HHADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000518511481 1008332867 /nfs/dbraw/zinc/33/28/67/1008332867.db2.gz IMTVUIIMCNGKMA-INIZCTEOSA-N 2 0 419.791 3.506 20 0 HHADRP C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518548681 1008344465 /nfs/dbraw/zinc/34/44/65/1008344465.db2.gz HNRSQHPZQSUSPO-JOZNFPNDSA-N 2 0 408.590 3.697 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264840 1008360507 /nfs/dbraw/zinc/36/05/07/1008360507.db2.gz LWTQDPYBCXTATN-ROUUACIJSA-N 2 0 401.576 3.559 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612972 1008365605 /nfs/dbraw/zinc/36/56/05/1008365605.db2.gz OBEPLZXDIOUAAE-UXHICEINSA-N 2 0 404.624 3.791 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000540396679 1008415796 /nfs/dbraw/zinc/41/57/96/1008415796.db2.gz AOBOOMPWPKLEIN-HXUWFJFHSA-N 2 0 419.573 3.944 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)CC1 ZINC000540410537 1008421454 /nfs/dbraw/zinc/42/14/54/1008421454.db2.gz PDAQCKBWHVFXOU-IBGZPJMESA-N 2 0 412.553 3.874 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000518791643 1008421995 /nfs/dbraw/zinc/42/19/95/1008421995.db2.gz PGYLKRFNKGAUEC-FQEVSTJZSA-N 2 0 409.574 3.931 20 0 HHADRP CCC(CC)[C@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461402 1008441053 /nfs/dbraw/zinc/44/10/53/1008441053.db2.gz OOVXGDJLSXWVIN-GOTSBHOMSA-N 2 0 415.622 3.701 20 0 HHADRP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518861677 1008450704 /nfs/dbraw/zinc/45/07/04/1008450704.db2.gz VAYQJIVAVIRMTM-NRFANRHFSA-N 2 0 407.002 3.726 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCc1cc(F)cc3c1OCOC3)c1ccccc1O2 ZINC000540495718 1008455386 /nfs/dbraw/zinc/45/53/86/1008455386.db2.gz GJGJLVBSLUECSV-OAQYLSRUSA-N 2 0 412.505 3.813 20 0 HHADRP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(-c2cccs2)n1 ZINC000540504787 1008458830 /nfs/dbraw/zinc/45/88/30/1008458830.db2.gz INNCEHACXKGHJV-UHFFFAOYSA-N 2 0 415.651 3.777 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000519100179 1008533075 /nfs/dbraw/zinc/53/30/75/1008533075.db2.gz KRENTTAJYZCZCF-QHCPKHFHSA-N 2 0 414.594 3.950 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000519137274 1008558921 /nfs/dbraw/zinc/55/89/21/1008558921.db2.gz MCDPRVIELSHSDT-FQEVSTJZSA-N 2 0 409.574 3.584 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000542984511 1008562027 /nfs/dbraw/zinc/56/20/27/1008562027.db2.gz JSDPARYEKCAINA-UHFFFAOYSA-N 2 0 415.626 3.590 20 0 HHADRP C[N@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCSC1 ZINC000549028380 1008597410 /nfs/dbraw/zinc/59/74/10/1008597410.db2.gz FJEXCQLDTRHHMY-CIIGPRGZSA-N 2 0 422.038 3.807 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549084138 1008648167 /nfs/dbraw/zinc/64/81/67/1008648167.db2.gz ZHSWRIHIKJNMAX-UHFFFAOYSA-N 2 0 401.501 3.765 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000543074157 1008651445 /nfs/dbraw/zinc/65/14/45/1008651445.db2.gz MAXRNFJHNNULMK-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202927 1008775608 /nfs/dbraw/zinc/77/56/08/1008775608.db2.gz VLNYAJQDOOZFAQ-NRFANRHFSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000543252794 1008820987 /nfs/dbraw/zinc/82/09/87/1008820987.db2.gz FWOVYYOBUZCOBW-HXUWFJFHSA-N 2 0 415.463 3.959 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000519507270 1008879462 /nfs/dbraw/zinc/87/94/62/1008879462.db2.gz VQOFBTMUFBQGLZ-SFHVURJKSA-N 2 0 410.553 3.550 20 0 HHADRP CC1(C)CC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC(C)(C)[NH2+]1 ZINC000519656772 1008944096 /nfs/dbraw/zinc/94/40/96/1008944096.db2.gz QLWJSYLNYFHJET-AWEZNQCLSA-N 2 0 419.791 3.741 20 0 HHADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000543402154 1008994535 /nfs/dbraw/zinc/99/45/35/1008994535.db2.gz DPSFEDIGWYKPJP-QGZVFWFLSA-N 2 0 402.560 3.863 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000546166462 1009197804 /nfs/dbraw/zinc/19/78/04/1009197804.db2.gz QKWPANMYHCOKQP-PKTZIBPZSA-N 2 0 400.998 3.880 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000549610091 1009236975 /nfs/dbraw/zinc/23/69/75/1009236975.db2.gz BIJLWJWZUKFCEG-DHIUTWEWSA-N 2 0 413.606 3.708 20 0 HHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000549610097 1009237284 /nfs/dbraw/zinc/23/72/84/1009237284.db2.gz BIJLWJWZUKFCEG-XZOQPEGZSA-N 2 0 413.606 3.708 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000520111931 1009268426 /nfs/dbraw/zinc/26/84/26/1009268426.db2.gz MMKWHELHIVQRSA-SJBKTWHCSA-N 2 0 403.586 3.912 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000520127186 1009280369 /nfs/dbraw/zinc/28/03/69/1009280369.db2.gz DTSUKMLENNMUCB-HSZRJFAPSA-N 2 0 414.569 3.764 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000520205962 1009340542 /nfs/dbraw/zinc/34/05/42/1009340542.db2.gz KYGCNYBLZVKFSC-SFTDATJTSA-N 2 0 401.595 3.536 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520207937 1009342409 /nfs/dbraw/zinc/34/24/09/1009342409.db2.gz HOADTKAGINHPBK-HKUYNNGSSA-N 2 0 414.981 3.773 20 0 HHADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000520207360 1009342803 /nfs/dbraw/zinc/34/28/03/1009342803.db2.gz SVMMOLLZRKXCLG-VWLOTQADSA-N 2 0 403.574 3.649 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775951 1009345225 /nfs/dbraw/zinc/34/52/25/1009345225.db2.gz SJMTUURQWDAFJF-DYESRHJHSA-N 2 0 414.546 3.520 20 0 HHADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000520377837 1009514145 /nfs/dbraw/zinc/51/41/45/1009514145.db2.gz RGEQXJILCXWXQU-IBGZPJMESA-N 2 0 412.553 3.610 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000543998236 1009598780 /nfs/dbraw/zinc/59/87/80/1009598780.db2.gz PDUWOMXHFMVCAC-QZTJIDSGSA-N 2 0 400.567 3.606 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000544000980 1009602263 /nfs/dbraw/zinc/60/22/63/1009602263.db2.gz IEQORLOIQCYFBA-HOHBBMLPSA-N 2 0 415.578 3.823 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000546658120 1009658004 /nfs/dbraw/zinc/65/80/04/1009658004.db2.gz AOQHSRNWRMXOIY-NRFANRHFSA-N 2 0 413.528 3.742 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000520613270 1009689117 /nfs/dbraw/zinc/68/91/17/1009689117.db2.gz ZBORAGJOONHAOD-JTHBVZDNSA-N 2 0 416.610 3.738 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000544109993 1009719789 /nfs/dbraw/zinc/71/97/89/1009719789.db2.gz PWWDENWYCGJAGK-UHFFFAOYSA-N 2 0 424.980 3.531 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550287240 1009834374 /nfs/dbraw/zinc/83/43/74/1009834374.db2.gz VCCGRNPTYCJDIB-UHFFFAOYSA-N 2 0 402.970 3.675 20 0 HHADRP Fc1ccc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)c(F)c1 ZINC000544358905 1009984449 /nfs/dbraw/zinc/98/44/49/1009984449.db2.gz FZJBQZFSNPIEAC-XMMPIXPASA-N 2 0 423.511 3.646 20 0 HHADRP COc1cccc([C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000544372518 1010001031 /nfs/dbraw/zinc/00/10/31/1010001031.db2.gz GEYKTRUUTWQDCZ-QHCPKHFHSA-N 2 0 409.574 3.716 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000521070040 1010086556 /nfs/dbraw/zinc/08/65/56/1010086556.db2.gz CNIMDXQDUFNBOW-IBGZPJMESA-N 2 0 409.018 3.925 20 0 HHADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000550881971 1010239299 /nfs/dbraw/zinc/23/92/99/1010239299.db2.gz FTWLTMXBFYRXRV-SFHVURJKSA-N 2 0 402.004 3.555 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326750 1010253949 /nfs/dbraw/zinc/25/39/49/1010253949.db2.gz NMBOOZAVVSCBKN-SFTDATJTSA-N 2 0 415.622 3.672 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544637999 1010262211 /nfs/dbraw/zinc/26/22/11/1010262211.db2.gz SWRFASPXZQLBHY-DYESRHJHSA-N 2 0 407.002 3.849 20 0 HHADRP Cc1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000521285861 1010279317 /nfs/dbraw/zinc/27/93/17/1010279317.db2.gz WYCNXQIGGWTXQJ-BBHUYCHWSA-N 2 0 400.588 3.950 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000521301937 1010289723 /nfs/dbraw/zinc/28/97/23/1010289723.db2.gz AQGLKVWDKUAUJL-UHFFFAOYSA-N 2 0 418.630 3.824 20 0 HHADRP CN1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005624 1010312203 /nfs/dbraw/zinc/31/22/03/1010312203.db2.gz MRXWJOLSVUTPPF-UIOOFZCWSA-N 2 0 406.618 3.619 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828484 1010441244 /nfs/dbraw/zinc/44/12/44/1010441244.db2.gz LKSHPDJWVHURAI-OPHFCASCSA-N 2 0 411.565 3.699 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000548081918 1010524236 /nfs/dbraw/zinc/52/42/36/1010524236.db2.gz RCDLYRXOIYWXQC-UHFFFAOYSA-N 2 0 407.558 3.639 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000548082399 1010525078 /nfs/dbraw/zinc/52/50/78/1010525078.db2.gz PRVFQZMJCUAYHR-UHFFFAOYSA-N 2 0 420.601 3.533 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686017 1010549938 /nfs/dbraw/zinc/54/99/38/1010549938.db2.gz VGTSZPSLMOSVNJ-XXBNENTESA-N 2 0 412.553 3.734 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000521854927 1010664100 /nfs/dbraw/zinc/66/41/00/1010664100.db2.gz UEWQVOAQFCFAID-XMMPIXPASA-N 2 0 412.622 3.995 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000548721037 1010714366 /nfs/dbraw/zinc/71/43/66/1010714366.db2.gz UFMYUFJAONRKAK-FQEVSTJZSA-N 2 0 401.595 3.657 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000545302355 1010721473 /nfs/dbraw/zinc/72/14/73/1010721473.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 2 0 402.627 3.905 20 0 HHADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000545306957 1010724469 /nfs/dbraw/zinc/72/44/69/1010724469.db2.gz AFRMZMYETUPBBV-QGZVFWFLSA-N 2 0 411.571 3.625 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521991202 1010753178 /nfs/dbraw/zinc/75/31/78/1010753178.db2.gz UJFXOMIVROLMAE-VQTJNVASSA-N 2 0 400.592 3.796 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000522294050 1010911059 /nfs/dbraw/zinc/91/10/59/1010911059.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 2 0 400.611 3.805 20 0 HHADRP CC[C@@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000522396114 1010979216 /nfs/dbraw/zinc/97/92/16/1010979216.db2.gz OMNNWNHWQSECKT-QFIPXVFZSA-N 2 0 412.553 3.523 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000522468191 1011030863 /nfs/dbraw/zinc/03/08/63/1011030863.db2.gz SIVOJSDCKWWLDV-RBUKOAKNSA-N 2 0 416.591 3.923 20 0 HHADRP Cc1ccc([C@@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000522725753 1011179283 /nfs/dbraw/zinc/17/92/83/1011179283.db2.gz IEZNBAHXPMTDMJ-DEOSSOPVSA-N 2 0 421.589 3.757 20 0 HHADRP CCCN(Cc1ccc(C)cc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522727604 1011180626 /nfs/dbraw/zinc/18/06/26/1011180626.db2.gz XEWPQKKKCCORIN-UHFFFAOYSA-N 2 0 409.578 3.524 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000536130120 1011252575 /nfs/dbraw/zinc/25/25/75/1011252575.db2.gz JBIOHVUVLPXDLV-SFTDATJTSA-N 2 0 415.626 3.698 20 0 HHADRP CC(=O)Nc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000540601118 1011255593 /nfs/dbraw/zinc/25/55/93/1011255593.db2.gz WFVQVCWXTWLRAI-UHFFFAOYSA-N 2 0 420.479 3.705 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000522823345 1011257355 /nfs/dbraw/zinc/25/73/55/1011257355.db2.gz PUVUUGPWYYDPFJ-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000540651428 1011304832 /nfs/dbraw/zinc/30/48/32/1011304832.db2.gz AETJDRQSMKANFF-VQTJNVASSA-N 2 0 423.532 3.974 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522865926 1011306715 /nfs/dbraw/zinc/30/67/15/1011306715.db2.gz LTVWWCXDXYQHIT-QFIPXVFZSA-N 2 0 424.614 3.524 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000540787735 1011447866 /nfs/dbraw/zinc/44/78/66/1011447866.db2.gz VQPOKJGTVFIVIU-PMACEKPBSA-N 2 0 418.006 3.756 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)N1CC[NH+](C)CC1 ZINC000536302931 1011492333 /nfs/dbraw/zinc/49/23/33/1011492333.db2.gz UXRIHINUHGZGLK-RBUKOAKNSA-N 2 0 414.819 3.951 20 0 HHADRP CN(CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc[nH+]cc1 ZINC000540926710 1011589779 /nfs/dbraw/zinc/58/97/79/1011589779.db2.gz ROLGJALJWSOUNN-UHFFFAOYSA-N 2 0 400.954 3.590 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(Br)cc1 ZINC000540954072 1011598405 /nfs/dbraw/zinc/59/84/05/1011598405.db2.gz FZPZKMIJFCUPBW-ZDFPQIBNSA-N 2 0 415.375 3.983 20 0 HHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 ZINC000540989673 1011622525 /nfs/dbraw/zinc/62/25/25/1011622525.db2.gz UJIQUCWHYSMVDH-OAQYLSRUSA-N 2 0 403.521 3.644 20 0 HHADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032912 1011667158 /nfs/dbraw/zinc/66/71/58/1011667158.db2.gz CVBGOLKZCACYAL-GMAHTHKFSA-N 2 0 416.610 3.929 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000541033232 1011667375 /nfs/dbraw/zinc/66/73/75/1011667375.db2.gz VIIDVUCEDHDRDM-GMAHTHKFSA-N 2 0 416.610 3.929 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188840 1011673593 /nfs/dbraw/zinc/67/35/93/1011673593.db2.gz GPWXKISPHUVADR-GUDVDZBRSA-N 2 0 406.640 3.626 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000541047744 1011686286 /nfs/dbraw/zinc/68/62/86/1011686286.db2.gz LXHMFYGDGVAGLN-UHFFFAOYSA-N 2 0 411.546 3.789 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000523335845 1011810376 /nfs/dbraw/zinc/81/03/76/1011810376.db2.gz YWFDDFHALYEPFI-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341091 1011819561 /nfs/dbraw/zinc/81/95/61/1011819561.db2.gz YULBSYQJSVFZHA-CTNGQTDRSA-N 2 0 400.592 3.554 20 0 HHADRP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000536675538 1011836595 /nfs/dbraw/zinc/83/65/95/1011836595.db2.gz UXGTWFBKSCDQMT-UHFFFAOYSA-N 2 0 416.537 3.956 20 0 HHADRP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711495 1011883863 /nfs/dbraw/zinc/88/38/63/1011883863.db2.gz ZYBRHPGWOIGQQC-OFNKIYASSA-N 2 0 404.618 3.908 20 0 HHADRP Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000523447183 1011944398 /nfs/dbraw/zinc/94/43/98/1011944398.db2.gz ANDNOKGFSBYOOS-RTBURBONSA-N 2 0 404.599 3.813 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000536762178 1011958944 /nfs/dbraw/zinc/95/89/44/1011958944.db2.gz KOOKPSLPNLZPCH-NFBKMPQASA-N 2 0 421.589 3.650 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472955 1011982151 /nfs/dbraw/zinc/98/21/51/1011982151.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 2 0 408.590 3.813 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075021 /nfs/dbraw/zinc/07/50/21/1012075021.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 2 0 407.549 3.723 20 0 HHADRP O=S1(=O)CCc2cc(C[NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc21 ZINC000552062813 1012081661 /nfs/dbraw/zinc/08/16/61/1012081661.db2.gz HGDOXANROSYWSO-KMDXXIMOSA-N 2 0 424.610 3.797 20 0 HHADRP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000536851942 1012082443 /nfs/dbraw/zinc/08/24/43/1012082443.db2.gz MKBJQEIIFWTGIX-JXALWOEJSA-N 2 0 409.574 3.873 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000541372499 1012089186 /nfs/dbraw/zinc/08/91/86/1012089186.db2.gz ADWXXUOMZIEJQS-SFHVURJKSA-N 2 0 412.335 3.707 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860022 1012093851 /nfs/dbraw/zinc/09/38/51/1012093851.db2.gz VWUVTJQRBIDAJV-IBGZPJMESA-N 2 0 415.603 3.918 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536874725 1012115233 /nfs/dbraw/zinc/11/52/33/1012115233.db2.gz DQHMKEYNLFLSFB-HXUWFJFHSA-N 2 0 405.542 3.688 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131491 /nfs/dbraw/zinc/13/14/91/1012131491.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 2 0 407.549 3.628 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000523598683 1012161366 /nfs/dbraw/zinc/16/13/66/1012161366.db2.gz XEHIRUWEDPVJDX-RBUKOAKNSA-N 2 0 406.640 3.770 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000523616082 1012189178 /nfs/dbraw/zinc/18/91/78/1012189178.db2.gz OKQKYBIYHPQMEU-IRLDBZIGSA-N 2 0 415.626 3.588 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000552223257 1012235825 /nfs/dbraw/zinc/23/58/25/1012235825.db2.gz KEWYEEABOKXBDF-FXAWDEMLSA-N 2 0 401.576 3.564 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536962974 1012256248 /nfs/dbraw/zinc/25/62/48/1012256248.db2.gz LSVHUKYGOCRKRG-ZWKOTPCHSA-N 2 0 401.576 3.559 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000552247457 1012258890 /nfs/dbraw/zinc/25/88/90/1012258890.db2.gz PQMCOKCHXVTMFS-OALUTQOASA-N 2 0 422.552 3.960 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297623 1012308588 /nfs/dbraw/zinc/30/85/88/1012308588.db2.gz CKFFARKKXPNTCO-PPGORRQASA-N 2 0 408.546 3.667 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297622 1012309188 /nfs/dbraw/zinc/30/91/88/1012309188.db2.gz CKFFARKKXPNTCO-POHUPDAJSA-N 2 0 408.546 3.667 20 0 HHADRP COC(=O)c1ccc([C@@H](C)[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)o1 ZINC000537017107 1012317836 /nfs/dbraw/zinc/31/78/36/1012317836.db2.gz JQFFCQPHEYJBCP-QGZVFWFLSA-N 2 0 415.534 3.744 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)[NH+]2CCCCC2)cc1 ZINC000552309936 1012320552 /nfs/dbraw/zinc/32/05/52/1012320552.db2.gz BBUAGTZQPZHQJT-XZOQPEGZSA-N 2 0 416.610 3.642 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc1 ZINC000537022833 1012328936 /nfs/dbraw/zinc/32/89/36/1012328936.db2.gz ZZXNTSXOTPBANX-WOJBJXKFSA-N 2 0 409.574 3.944 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000541578522 1012369648 /nfs/dbraw/zinc/36/96/48/1012369648.db2.gz RHHZWLBHSPAWBE-LEWJYISDSA-N 2 0 402.966 3.842 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599466 1012391281 /nfs/dbraw/zinc/39/12/81/1012391281.db2.gz FVAOWGDOJIQWDY-DAYGRLMNSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599467 1012391884 /nfs/dbraw/zinc/39/18/84/1012391884.db2.gz FVAOWGDOJIQWDY-HDMKZQKVSA-N 2 0 401.378 3.976 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O2 ZINC000537190937 1012603558 /nfs/dbraw/zinc/60/35/58/1012603558.db2.gz HYQACOQNJHRPDW-NRFANRHFSA-N 2 0 411.521 3.523 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000523939702 1012673089 /nfs/dbraw/zinc/67/30/89/1012673089.db2.gz YLLPTLDKKSOIBI-FCHUYYIVSA-N 2 0 410.562 3.861 20 0 HHADRP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1)C[C@H]1CCCCO1 ZINC000541962449 1012824873 /nfs/dbraw/zinc/82/48/73/1012824873.db2.gz MCENANLPMNFFLD-JOCHJYFZSA-N 2 0 404.599 3.928 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000524134853 1012920442 /nfs/dbraw/zinc/92/04/42/1012920442.db2.gz YVOAJYTXNDYSQB-IBGZPJMESA-N 2 0 404.624 3.620 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000524139949 1012925282 /nfs/dbraw/zinc/92/52/82/1012925282.db2.gz HKMIPAQMOAPMKM-ADYITMSISA-N 2 0 400.611 3.944 20 0 HHADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553050422 1013025309 /nfs/dbraw/zinc/02/53/09/1013025309.db2.gz NZNLHIKBEBQYBN-UHFFFAOYSA-N 2 0 407.558 3.882 20 0 HHADRP Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000553063222 1013036658 /nfs/dbraw/zinc/03/66/58/1013036658.db2.gz HDLBSVWNRZHKSJ-XMMPIXPASA-N 2 0 421.585 3.756 20 0 HHADRP Cc1c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)sc2nc(C)nc(C)c12 ZINC000729686364 1071821821 /nfs/dbraw/zinc/82/18/21/1071821821.db2.gz GNNKHHDSFNCPKH-UHFFFAOYSA-N 2 0 410.587 3.863 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000569098063 1071987419 /nfs/dbraw/zinc/98/74/19/1071987419.db2.gz ODGYXIFDZNWFRM-VWLOTQADSA-N 2 0 420.601 3.842 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272050 1072058613 /nfs/dbraw/zinc/05/86/13/1072058613.db2.gz KBHSHFOUPLSSLC-DNQXCXABSA-N 2 0 406.570 3.918 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941426 1072504315 /nfs/dbraw/zinc/50/43/15/1072504315.db2.gz GHVOQJVYPBCSFE-XZOQPEGZSA-N 2 0 424.589 3.936 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)CC1 ZINC001168327353 1072507061 /nfs/dbraw/zinc/50/70/61/1072507061.db2.gz KGEZMSJRCJYTKQ-UHFFFAOYSA-N 2 0 406.368 3.608 20 0 HHADRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377857 1072530042 /nfs/dbraw/zinc/53/00/42/1072530042.db2.gz LXTOYSZWUDVWGG-NRFANRHFSA-N 2 0 403.636 3.678 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](CN2C[C@H](c3cccc(OC)c3)CC2=O)CC1 ZINC000760540105 1072563682 /nfs/dbraw/zinc/56/36/82/1072563682.db2.gz SCLRPGGYAPJJEL-JOCHJYFZSA-N 2 0 401.595 3.803 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000571341897 1072606999 /nfs/dbraw/zinc/60/69/99/1072606999.db2.gz KNUPEXPFHMRTPL-ZEQRLZLVSA-N 2 0 418.585 3.587 20 0 HHADRP Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380465 1072707512 /nfs/dbraw/zinc/70/75/12/1072707512.db2.gz SWBAGZPKPCDILD-JWQCQUIFSA-N 2 0 413.606 3.652 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000479417589 1072815520 /nfs/dbraw/zinc/81/55/20/1072815520.db2.gz JFKWUVHBYUOHAG-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000554884431 1072936304 /nfs/dbraw/zinc/93/63/04/1072936304.db2.gz OEUWZTQHQZZAER-UHFFFAOYSA-N 2 0 423.424 3.642 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)C[C@H](C)O1 ZINC000588709930 1073155421 /nfs/dbraw/zinc/15/54/21/1073155421.db2.gz GHZBVHQYORPUTR-OYRHEFFESA-N 2 0 413.606 3.634 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)C[C@H](C)O1 ZINC000588709508 1073155930 /nfs/dbraw/zinc/15/59/30/1073155930.db2.gz CBUFWLLZRMZQKJ-IMSXRSKXSA-N 2 0 413.606 3.561 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710632 1073157115 /nfs/dbraw/zinc/15/71/15/1073157115.db2.gz KKVVEIRTLVANLV-BHIFYINESA-N 2 0 415.622 3.633 20 0 HHADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000588711950 1073157591 /nfs/dbraw/zinc/15/75/91/1073157591.db2.gz VPUJHAALLHAUTR-CGXNFDGLSA-N 2 0 415.622 3.636 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186287 1073249002 /nfs/dbraw/zinc/24/90/02/1073249002.db2.gz QYIZFSGIWNGPDL-PCCBWWKXSA-N 2 0 400.954 3.687 20 0 HHADRP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000555211455 1073265125 /nfs/dbraw/zinc/26/51/25/1073265125.db2.gz NJFZHOMFLOIWFF-BJKOFHAPSA-N 2 0 420.601 3.686 20 0 HHADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000572452360 1073291378 /nfs/dbraw/zinc/29/13/78/1073291378.db2.gz JCUQOVRNHFYGSU-IRLDBZIGSA-N 2 0 402.966 3.972 20 0 HHADRP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596912 /nfs/dbraw/zinc/59/69/12/1073596912.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 2 0 403.570 3.747 20 0 HHADRP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000555597340 1073661999 /nfs/dbraw/zinc/66/19/99/1073661999.db2.gz FHNSVRDOGMZNPS-SKBVVQJISA-N 2 0 408.586 3.880 20 0 HHADRP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000555886252 1073927602 /nfs/dbraw/zinc/92/76/02/1073927602.db2.gz HISSAGCGERVIIZ-OAQYLSRUSA-N 2 0 400.486 3.539 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000591092153 1074107742 /nfs/dbraw/zinc/10/77/42/1074107742.db2.gz HMXSHCSLIGSPKC-REWPJTCUSA-N 2 0 409.574 3.973 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000591422291 1074283817 /nfs/dbraw/zinc/28/38/17/1074283817.db2.gz UODQHGHAGRNFAI-FQEVSTJZSA-N 2 0 409.574 3.931 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000591422295 1074283886 /nfs/dbraw/zinc/28/38/86/1074283886.db2.gz UODQHGHAGRNFAI-HXUWFJFHSA-N 2 0 409.574 3.931 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591558135 1074406445 /nfs/dbraw/zinc/40/64/45/1074406445.db2.gz FCSPTOFWGOBEAF-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000592559199 1074788685 /nfs/dbraw/zinc/78/86/85/1074788685.db2.gz BAQIIGZLCHVOIA-NRFANRHFSA-N 2 0 419.013 3.822 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000574101982 1075167325 /nfs/dbraw/zinc/16/73/25/1075167325.db2.gz RWKHMKCEABRFFP-HDDJIDQQSA-N 2 0 408.586 3.942 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000575208286 1075485796 /nfs/dbraw/zinc/48/57/96/1075485796.db2.gz CYKGSOYNRPGLOH-HSZRJFAPSA-N 2 0 418.626 3.838 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510423 /nfs/dbraw/zinc/51/04/23/1075510423.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 2 0 422.658 3.611 20 0 HHADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000601323318 1075599445 /nfs/dbraw/zinc/59/94/45/1075599445.db2.gz HCAFJQAQTGJFPK-DEOSSOPVSA-N 2 0 414.638 3.893 20 0 HHADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000601338778 1075605790 /nfs/dbraw/zinc/60/57/90/1075605790.db2.gz LJVOQMIHLMFGGY-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OCC ZINC000602277317 1075725872 /nfs/dbraw/zinc/72/58/72/1075725872.db2.gz KDROTJSYCXUNAU-GOSISDBHSA-N 2 0 410.002 3.786 20 0 HHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164429395 718948585 /nfs/dbraw/zinc/94/85/85/718948585.db2.gz OQZOYKFHDKDUEI-WOJBJXKFSA-N 2 0 416.903 3.732 20 0 HHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628646 719068773 /nfs/dbraw/zinc/06/87/73/719068773.db2.gz TUADCYWLTBTMCB-PZJWPPBQSA-N 2 0 411.981 3.698 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179457 /nfs/dbraw/zinc/17/94/57/721179457.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 2 0 421.589 3.503 20 0 HHADRP CCC[NH+]1CCC(Nc2nc3cccnc3nc2NC2CC[NH+](CCC)CC2)CC1 ZINC000301625490 971007094 /nfs/dbraw/zinc/00/70/94/971007094.db2.gz PSWRUBXBNYUGQH-UHFFFAOYSA-N 2 0 411.598 3.597 20 0 HHADRP Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2cc(F)ccc2[nH+]1 ZINC000301659389 971017557 /nfs/dbraw/zinc/01/75/57/971017557.db2.gz IULRLBWOYGHWFB-LJQANCHMSA-N 2 0 406.505 3.992 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303004808 971448624 /nfs/dbraw/zinc/44/86/24/971448624.db2.gz PACNOAWVSDCBES-NRFANRHFSA-N 2 0 415.528 3.767 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000303050877 971477053 /nfs/dbraw/zinc/47/70/53/971477053.db2.gz VCVIKNKCVUJJIM-UGKGYDQZSA-N 2 0 401.501 3.596 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078958 971492128 /nfs/dbraw/zinc/49/21/28/971492128.db2.gz SURYOJTUOKFRSE-LADGPHEKSA-N 2 0 409.549 3.991 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000524288394 1013095398 /nfs/dbraw/zinc/09/53/98/1013095398.db2.gz ADAMEZSAHYNWID-HSZRJFAPSA-N 2 0 406.574 3.795 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)([NH+](C)C)C1 ZINC000303488655 971787343 /nfs/dbraw/zinc/78/73/43/971787343.db2.gz RRGFFINKCYLYRC-LLOANPOHSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303494114 971792007 /nfs/dbraw/zinc/79/20/07/971792007.db2.gz SVILFTRQSVYGTE-AAFVWOFXSA-N 2 0 412.622 3.848 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520127 971821436 /nfs/dbraw/zinc/82/14/36/971821436.db2.gz YVVZSEKSURFMEE-YKSBVNFPSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303705341 971971486 /nfs/dbraw/zinc/97/14/86/971971486.db2.gz XYTUTLLZSSHYHS-RTWAWAEBSA-N 2 0 420.601 3.958 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303705340 971971548 /nfs/dbraw/zinc/97/15/48/971971548.db2.gz XYTUTLLZSSHYHS-NHCUHLMSSA-N 2 0 420.601 3.958 20 0 HHADRP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000303748679 972001413 /nfs/dbraw/zinc/00/14/13/972001413.db2.gz HAMKMYNPHYCXRJ-NRFANRHFSA-N 2 0 409.574 3.868 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000303765694 972015191 /nfs/dbraw/zinc/01/51/91/972015191.db2.gz PNYRESSIYWBKCS-IFMALSPDSA-N 2 0 409.574 3.752 20 0 HHADRP COc1cc2c(c(C[N@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@H](C)C2 ZINC000537622286 1013169500 /nfs/dbraw/zinc/16/95/00/1013169500.db2.gz UVBAUHAVYBPALI-LJQANCHMSA-N 2 0 415.622 3.647 20 0 HHADRP COC(=O)CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000537621887 1013168990 /nfs/dbraw/zinc/16/89/90/1013168990.db2.gz GXFJZWOHJJZJEI-SFHVURJKSA-N 2 0 404.599 3.540 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631295 1013185493 /nfs/dbraw/zinc/18/54/93/1013185493.db2.gz JYLXTZYWRXSBCD-NRFANRHFSA-N 2 0 414.638 3.593 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000537678314 1013237006 /nfs/dbraw/zinc/23/70/06/1013237006.db2.gz UAGVFPRXQFLADM-PZJWPPBQSA-N 2 0 406.412 3.927 20 0 HHADRP Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316191 1013273010 /nfs/dbraw/zinc/27/30/10/1013273010.db2.gz PXOVGQLMDAAJSR-URXFXBBRSA-N 2 0 405.586 3.954 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553406617 1013333389 /nfs/dbraw/zinc/33/33/89/1013333389.db2.gz GXDLYQORXKOZAM-HXUWFJFHSA-N 2 0 419.660 3.700 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537774316 1013337062 /nfs/dbraw/zinc/33/70/62/1013337062.db2.gz LVKCXFPVFJIIMT-HBMCJLEFSA-N 2 0 415.626 3.696 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000542464029 1013411446 /nfs/dbraw/zinc/41/14/46/1013411446.db2.gz WDZJLNZLDWUIJU-QZTJIDSGSA-N 2 0 400.567 3.606 20 0 HHADRP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000542467168 1013415527 /nfs/dbraw/zinc/41/55/27/1013415527.db2.gz QBWVOIYJUCYAPV-UHFFFAOYSA-N 2 0 419.577 3.864 20 0 HHADRP CCC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000553555725 1013453204 /nfs/dbraw/zinc/45/32/04/1013453204.db2.gz AVTWULYFWLKBQE-PKTZIBPZSA-N 2 0 415.647 3.717 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537881302 1013461001 /nfs/dbraw/zinc/46/10/01/1013461001.db2.gz MXWQUIQQIYLQHR-UHFFFAOYSA-N 2 0 409.578 3.591 20 0 HHADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000024668390 964044665 /nfs/dbraw/zinc/04/46/65/964044665.db2.gz JDQDIXWXUMPLCJ-QHCPKHFHSA-N 2 0 400.611 3.851 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1OC ZINC000048816609 964064384 /nfs/dbraw/zinc/06/43/84/964064384.db2.gz YXSDZKPMZXXQLV-ROUUACIJSA-N 2 0 414.546 3.611 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)c1 ZINC000050136908 964274107 /nfs/dbraw/zinc/27/41/07/964274107.db2.gz YHNSRIQOVQAOKD-OAQYLSRUSA-N 2 0 414.619 3.911 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000050136929 964274200 /nfs/dbraw/zinc/27/42/00/964274200.db2.gz QKGMIJAJZWMPHS-FQEVSTJZSA-N 2 0 406.640 3.722 20 0 HHADRP C[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681503 1013543054 /nfs/dbraw/zinc/54/30/54/1013543054.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 2 0 412.578 3.654 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)s1 ZINC000537969477 1013546827 /nfs/dbraw/zinc/54/68/27/1013546827.db2.gz BPIKRUKQLOYDDA-ZDUSSCGKSA-N 2 0 410.381 3.653 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000537972037 1013548591 /nfs/dbraw/zinc/54/85/91/1013548591.db2.gz SLPPDIANYPJZEN-HSZRJFAPSA-N 2 0 409.599 3.632 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537972582 1013549735 /nfs/dbraw/zinc/54/97/35/1013549735.db2.gz QZVAJMVCIJJEQE-QHCPKHFHSA-N 2 0 407.558 3.824 20 0 HHADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000057174596 965326496 /nfs/dbraw/zinc/32/64/96/965326496.db2.gz HYDYRDNOPSZALX-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043495 965368383 /nfs/dbraw/zinc/36/83/83/965368383.db2.gz HIXAHWABTCZHCL-DEOSSOPVSA-N 2 0 406.574 3.787 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889441 965572691 /nfs/dbraw/zinc/57/26/91/965572691.db2.gz FUNRYFGAKMEPEU-PMACEKPBSA-N 2 0 401.595 3.849 20 0 HHADRP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889313 965573252 /nfs/dbraw/zinc/57/32/52/965573252.db2.gz DOXAXJFZOPAJDM-UHFFFAOYSA-N 2 0 401.595 3.632 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000054920606 965699808 /nfs/dbraw/zinc/69/98/08/965699808.db2.gz VWZPTVIFTDOZGW-OAQYLSRUSA-N 2 0 412.603 3.980 20 0 HHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513414 965712616 /nfs/dbraw/zinc/71/26/16/965712616.db2.gz KDHVXKOCGPJSMD-OAQYLSRUSA-N 2 0 422.617 3.792 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000058533614 965772396 /nfs/dbraw/zinc/77/23/96/965772396.db2.gz IXWMNEPHKNVPJP-WOJBJXKFSA-N 2 0 401.599 3.521 20 0 HHADRP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3=CC[N@H+](C)CC3)s2)cc1OC ZINC000553787035 1013614458 /nfs/dbraw/zinc/61/44/58/1013614458.db2.gz IRBQTSLBDNEAJA-OAHLLOKOSA-N 2 0 401.576 3.972 20 0 HHADRP CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000031664308 966079449 /nfs/dbraw/zinc/07/94/49/966079449.db2.gz BZINXQLPVLLLCP-RUZDIDTESA-N 2 0 420.601 3.787 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000542712719 1013625277 /nfs/dbraw/zinc/62/52/77/1013625277.db2.gz MITNESBXMNLKML-REWPJTCUSA-N 2 0 400.611 3.831 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215780 /nfs/dbraw/zinc/21/57/80/966215780.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 2 0 405.586 3.942 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060798351 966293039 /nfs/dbraw/zinc/29/30/39/966293039.db2.gz GFIXYUDWHWLIJW-FQEVSTJZSA-N 2 0 416.591 3.689 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000542732605 1013644683 /nfs/dbraw/zinc/64/46/83/1013644683.db2.gz CZVSGMOIXBTZNC-JOCHJYFZSA-N 2 0 404.599 3.882 20 0 HHADRP COc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000037409507 966474632 /nfs/dbraw/zinc/47/46/32/966474632.db2.gz MKSGMRRCEOXPST-NSHDSACASA-N 2 0 418.173 3.794 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000056846252 966490564 /nfs/dbraw/zinc/49/05/64/966490564.db2.gz ZITIENQTILXLOC-FQEVSTJZSA-N 2 0 400.611 3.792 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000056932153 966519022 /nfs/dbraw/zinc/51/90/22/966519022.db2.gz YQNDAUGTOLXJIE-JOCHJYFZSA-N 2 0 416.610 3.596 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100479 1013669573 /nfs/dbraw/zinc/66/95/73/1013669573.db2.gz FQFYYDCYQOXPQB-UPVQGACJSA-N 2 0 409.574 3.879 20 0 HHADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000063149269 966762885 /nfs/dbraw/zinc/76/28/85/966762885.db2.gz HXGYAYJHMPFAJS-JOCHJYFZSA-N 2 0 402.652 3.626 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063464037 966866561 /nfs/dbraw/zinc/86/65/61/966866561.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 2 0 420.601 3.862 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553895439 1013683152 /nfs/dbraw/zinc/68/31/52/1013683152.db2.gz KIASNDDOLLNPLD-RUZDIDTESA-N 2 0 412.622 3.950 20 0 HHADRP O=C(COc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000063551734 966888516 /nfs/dbraw/zinc/88/85/16/966888516.db2.gz FFAKIOQIWSIPNO-UHFFFAOYSA-N 2 0 421.585 3.690 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c(C)c2)CC1 ZINC000043522951 966991540 /nfs/dbraw/zinc/99/15/40/966991540.db2.gz AVFFFKYBJHOSIC-FQEVSTJZSA-N 2 0 415.607 3.623 20 0 HHADRP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000542834366 1013697387 /nfs/dbraw/zinc/69/73/87/1013697387.db2.gz BPQFFUHROYSLBN-QPTUXGOLSA-N 2 0 407.558 3.662 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000064229353 967094811 /nfs/dbraw/zinc/09/48/11/967094811.db2.gz NLRMIBZJXIXEJZ-UHFFFAOYSA-N 2 0 418.532 3.690 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000064237873 967101983 /nfs/dbraw/zinc/10/19/83/967101983.db2.gz GMGQXXUOLNEWFK-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OC(F)F ZINC000538143441 1013704583 /nfs/dbraw/zinc/70/45/83/1013704583.db2.gz GQBKPCCLARWXPU-QGZVFWFLSA-N 2 0 417.500 3.851 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000064644258 967257477 /nfs/dbraw/zinc/25/74/77/967257477.db2.gz ONOOXGWTPMJDFK-UWJYYQICSA-N 2 0 418.582 3.701 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065029072 967352072 /nfs/dbraw/zinc/35/20/72/967352072.db2.gz KQWAEZXJAJBJOB-HYBUGGRVSA-N 2 0 406.574 3.786 20 0 HHADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000065062221 967360382 /nfs/dbraw/zinc/36/03/82/967360382.db2.gz CSZYXEVDXBIUKA-UHFFFAOYSA-N 2 0 420.601 3.918 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000065482741 967491042 /nfs/dbraw/zinc/49/10/42/967491042.db2.gz AICGRNPPTFPBJD-MOPGFXCFSA-N 2 0 402.539 3.782 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000045976239 967614172 /nfs/dbraw/zinc/61/41/72/967614172.db2.gz AFWKUVCRZXJJJB-OAQYLSRUSA-N 2 0 415.626 3.913 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000046347152 967757050 /nfs/dbraw/zinc/75/70/50/967757050.db2.gz XKYOZKNCDDAEJP-NRFANRHFSA-N 2 0 400.592 3.577 20 0 HHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)CC2)cc1 ZINC000046750617 967951085 /nfs/dbraw/zinc/95/10/85/967951085.db2.gz QNQKXEJUBQDBKQ-NRFANRHFSA-N 2 0 416.610 3.567 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000538206448 1013760003 /nfs/dbraw/zinc/76/00/03/1013760003.db2.gz OMHKGXVYUQFNAN-QMTMVMCOSA-N 2 0 412.441 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211989 1013765424 /nfs/dbraw/zinc/76/54/24/1013765424.db2.gz PMAPUNSQBWIDOG-RTBURBONSA-N 2 0 422.552 3.960 20 0 HHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000542949395 1013781329 /nfs/dbraw/zinc/78/13/29/1013781329.db2.gz VHWWCFHYYVEGMA-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)O[C@H](C)C2 ZINC000047609663 968257623 /nfs/dbraw/zinc/25/76/23/968257623.db2.gz YGKLNFGJLJCEJN-QRVBRYPASA-N 2 0 410.558 3.918 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccsc1 ZINC000047871614 968348106 /nfs/dbraw/zinc/34/81/06/968348106.db2.gz WFEBWWXBJNWYGC-OALUTQOASA-N 2 0 404.580 3.860 20 0 HHADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000538274951 1013814859 /nfs/dbraw/zinc/81/48/59/1013814859.db2.gz OFROVAKQYGHVEV-JOCHJYFZSA-N 2 0 413.606 3.991 20 0 HHADRP C[NH+]1CCN(c2ccccc2NC(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000065826212 968665252 /nfs/dbraw/zinc/66/52/52/968665252.db2.gz XCBVOXDAUVQJQF-UHFFFAOYSA-N 2 0 401.599 3.606 20 0 HHADRP FC(F)(F)COc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065888945 968701461 /nfs/dbraw/zinc/70/14/61/968701461.db2.gz ADXLSVMBAXCPNU-UHFFFAOYSA-N 2 0 407.480 3.535 20 0 HHADRP Cn1ccc([C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(F)cc2)n1 ZINC000538306442 1013839310 /nfs/dbraw/zinc/83/93/10/1013839310.db2.gz RMTCOAPWUZBAEC-VWLOTQADSA-N 2 0 422.548 3.956 20 0 HHADRP COC(=O)c1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000538307605 1013839930 /nfs/dbraw/zinc/83/99/30/1013839930.db2.gz CRZCKDWFILMPAO-HXUWFJFHSA-N 2 0 410.514 3.560 20 0 HHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052874 969042455 /nfs/dbraw/zinc/04/24/55/969042455.db2.gz XKSNBXFZBKUXON-NRFANRHFSA-N 2 0 423.576 3.915 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000096625541 969048914 /nfs/dbraw/zinc/04/89/14/969048914.db2.gz KHXSCEFEEXGFRA-UHFFFAOYSA-N 2 0 406.574 3.679 20 0 HHADRP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000109545948 969530909 /nfs/dbraw/zinc/53/09/09/969530909.db2.gz OVYAITIDQWOEBM-UHFFFAOYSA-N 2 0 407.558 3.873 20 0 HHADRP Cc1ccc([C@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[NH+](C)C)cc1 ZINC000109899847 969590040 /nfs/dbraw/zinc/59/00/40/969590040.db2.gz NBFANCDVYVBTEM-DEOSSOPVSA-N 2 0 408.590 3.558 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000110909000 969739806 /nfs/dbraw/zinc/73/98/06/969739806.db2.gz FHRNMOOCVJMAEO-UHFFFAOYSA-N 2 0 410.949 3.692 20 0 HHADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437549 969894851 /nfs/dbraw/zinc/89/48/51/969894851.db2.gz JCHMGWDMCOONHP-QFIPXVFZSA-N 2 0 424.614 3.790 20 0 HHADRP COc1cc([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000554362676 1013921971 /nfs/dbraw/zinc/92/19/71/1013921971.db2.gz XQYBKHWXXWBJHE-SFHVURJKSA-N 2 0 401.526 3.951 20 0 HHADRP c1ccc(CN2CCC([NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000236697896 970157713 /nfs/dbraw/zinc/15/77/13/970157713.db2.gz FJIPWHVYPIDLLZ-UHFFFAOYSA-N 2 0 420.645 3.839 20 0 HHADRP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000236740284 970167024 /nfs/dbraw/zinc/16/70/24/970167024.db2.gz WMSDEEPDKRSIRH-UHFFFAOYSA-N 2 0 400.592 3.556 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000236947861 970192799 /nfs/dbraw/zinc/19/27/99/970192799.db2.gz CVVCCDOZRVZAAK-IBGZPJMESA-N 2 0 418.029 3.565 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)CC1 ZINC000237072402 970218268 /nfs/dbraw/zinc/21/82/68/970218268.db2.gz SJSDRUKAYWSEIZ-UHFFFAOYSA-N 2 0 421.511 3.539 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000237165674 970234060 /nfs/dbraw/zinc/23/40/60/970234060.db2.gz HINBLJIGFSEDIQ-UHFFFAOYSA-N 2 0 423.026 3.739 20 0 HHADRP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000237331120 970264464 /nfs/dbraw/zinc/26/44/64/970264464.db2.gz ORIXIMPKBTVDSU-UHFFFAOYSA-N 2 0 417.553 3.964 20 0 HHADRP COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1F ZINC000237431749 970285284 /nfs/dbraw/zinc/28/52/84/970285284.db2.gz SITAQHMSQYMSIV-UHFFFAOYSA-N 2 0 411.443 3.895 20 0 HHADRP COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000237431882 970285490 /nfs/dbraw/zinc/28/54/90/970285490.db2.gz BDBHBCXETVTZBN-UHFFFAOYSA-N 2 0 423.479 3.764 20 0 HHADRP COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(-c2ccccc2)cc1OC ZINC000237447391 970290258 /nfs/dbraw/zinc/29/02/58/970290258.db2.gz VMDXGXURQVHIFR-HSZRJFAPSA-N 2 0 411.590 3.732 20 0 HHADRP C[C@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)CN1CC[NH+](C)CC1 ZINC000237585147 970316859 /nfs/dbraw/zinc/31/68/59/970316859.db2.gz YQRULTRMVAKMMA-GOSISDBHSA-N 2 0 414.981 3.565 20 0 HHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237673808 970336028 /nfs/dbraw/zinc/33/60/28/970336028.db2.gz PNNSDUIRFOXJCK-FQEVSTJZSA-N 2 0 404.986 3.528 20 0 HHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000237672700 970336086 /nfs/dbraw/zinc/33/60/86/970336086.db2.gz FIMVHILSMQBMOX-UHFFFAOYSA-N 2 0 407.562 3.666 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000237856383 970382143 /nfs/dbraw/zinc/38/21/43/970382143.db2.gz HTMWVIBHYUUIKQ-UHFFFAOYSA-N 2 0 403.574 3.873 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)C1 ZINC000237916881 970393865 /nfs/dbraw/zinc/39/38/65/970393865.db2.gz AUNHGWYKHBVMQS-LJQANCHMSA-N 2 0 421.463 3.572 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000237934018 970397874 /nfs/dbraw/zinc/39/78/74/970397874.db2.gz KUNAMPWZBAVWIG-IBGZPJMESA-N 2 0 405.464 3.693 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150095748 970427367 /nfs/dbraw/zinc/42/73/67/970427367.db2.gz LAFNVJAIPUUGMS-UHFFFAOYSA-N 2 0 408.590 3.672 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000150178897 970432487 /nfs/dbraw/zinc/43/24/87/970432487.db2.gz VQMCDMWKLDMGNF-NRFANRHFSA-N 2 0 400.592 3.562 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000150218779 970435094 /nfs/dbraw/zinc/43/50/94/970435094.db2.gz BTQKMMNIRDPZCG-UHFFFAOYSA-N 2 0 412.578 3.573 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000238076632 970435695 /nfs/dbraw/zinc/43/56/95/970435695.db2.gz OWFRIOFYHWTTQJ-UHFFFAOYSA-N 2 0 420.582 3.926 20 0 HHADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554746484 1014036847 /nfs/dbraw/zinc/03/68/47/1014036847.db2.gz ZMSKPYPJFCNZFU-BGYRXZFFSA-N 2 0 411.512 3.952 20 0 HHADRP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000380943468 972779113 /nfs/dbraw/zinc/77/91/13/972779113.db2.gz NQHGFJXMFGJXEC-HSZRJFAPSA-N 2 0 407.558 3.899 20 0 HHADRP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035852 972859930 /nfs/dbraw/zinc/85/99/30/972859930.db2.gz UHEZLYWFADUYLW-GOSISDBHSA-N 2 0 404.352 3.707 20 0 HHADRP OC1(C[NH2+]Cc2ccc(F)cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397549239 972871675 /nfs/dbraw/zinc/87/16/75/972871675.db2.gz QVFTXAHKYXTJCC-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000409642243 973091691 /nfs/dbraw/zinc/09/16/91/973091691.db2.gz SEEUYHNGUBBXBD-UHFFFAOYSA-N 2 0 420.601 3.501 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410329282 973894702 /nfs/dbraw/zinc/89/47/02/973894702.db2.gz RLJPPWLELUDYAE-UHFFFAOYSA-N 2 0 420.601 3.789 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000410391484 973989675 /nfs/dbraw/zinc/98/96/75/973989675.db2.gz IIFQVFAPHYCTEJ-FQEVSTJZSA-N 2 0 408.590 3.773 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cnc3ccccc3c2)CC1)Cc1ccccc1 ZINC000410410876 974008794 /nfs/dbraw/zinc/00/87/94/974008794.db2.gz ZOLKATKKYHZJIV-UHFFFAOYSA-N 2 0 416.569 3.695 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000426156253 974271153 /nfs/dbraw/zinc/27/11/53/974271153.db2.gz GRBLNWGGNDMXAG-UHFFFAOYSA-N 2 0 410.562 3.935 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418141 974439485 /nfs/dbraw/zinc/43/94/85/974439485.db2.gz DYBSYCFJNPZNKB-HXUWFJFHSA-N 2 0 411.590 3.649 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCOCC1)c1ccccc1 ZINC000426432387 974445805 /nfs/dbraw/zinc/44/58/05/974445805.db2.gz XJEHKAMBBNNINL-FQEVSTJZSA-N 2 0 401.595 3.515 20 0 HHADRP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426766164 974644325 /nfs/dbraw/zinc/64/43/25/974644325.db2.gz XJMKITFZRNUYOC-QHAWAJNXSA-N 2 0 413.606 3.566 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000427720773 975252074 /nfs/dbraw/zinc/25/20/74/975252074.db2.gz GYKFJYRAFFFFJD-LJQANCHMSA-N 2 0 420.479 3.559 20 0 HHADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264129 975577711 /nfs/dbraw/zinc/57/77/11/975577711.db2.gz UXGLSJJWXXTXTF-OTPAQWSUSA-N 2 0 420.601 3.786 20 0 HHADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000428452993 975759896 /nfs/dbraw/zinc/75/98/96/975759896.db2.gz ONJLUIFMDSVERW-IPJUCJBFSA-N 2 0 410.400 3.632 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428914111 976215328 /nfs/dbraw/zinc/21/53/28/976215328.db2.gz XYNQQZDOJPQMQZ-GCJKJVERSA-N 2 0 412.553 3.740 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000429074167 976358751 /nfs/dbraw/zinc/35/87/51/976358751.db2.gz FVBIUCNXQJAKQO-MHJFOBGBSA-N 2 0 406.640 3.941 20 0 HHADRP Oc1cccc2c1C[C@H]([NH2+]Cc1cccc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)c1)C2 ZINC000429317404 976585681 /nfs/dbraw/zinc/58/56/81/976585681.db2.gz KUPMOLLSXHITHD-FGZHOGPDSA-N 2 0 400.522 3.612 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746355 /nfs/dbraw/zinc/74/63/55/976746355.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 2 0 414.638 3.833 20 0 HHADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555912 976824575 /nfs/dbraw/zinc/82/45/75/976824575.db2.gz NUUZUQJTDSCQNV-PKTZIBPZSA-N 2 0 418.528 3.848 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429602755 976883671 /nfs/dbraw/zinc/88/36/71/976883671.db2.gz QCEUHIIONFIENQ-FCHUYYIVSA-N 2 0 424.593 3.587 20 0 HHADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429690607 976983059 /nfs/dbraw/zinc/98/30/59/976983059.db2.gz SNYBFELEBWJQKM-VLCRHTCISA-N 2 0 403.636 3.810 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000430014775 977271870 /nfs/dbraw/zinc/27/18/70/977271870.db2.gz YOLGGRGMPDONIR-JOCHJYFZSA-N 2 0 400.950 3.985 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430031052 977283379 /nfs/dbraw/zinc/28/33/79/977283379.db2.gz XKBFEYUPGUBLRM-UHFFFAOYSA-N 2 0 422.013 3.845 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879569 977845594 /nfs/dbraw/zinc/84/55/94/977845594.db2.gz UBZTWFJSZWVUCW-QHCPKHFHSA-N 2 0 420.601 3.704 20 0 HHADRP CCOc1ccc(OCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430926561 977890865 /nfs/dbraw/zinc/89/08/65/977890865.db2.gz OFWVVQCQLHGPBZ-UHFFFAOYSA-N 2 0 403.611 3.592 20 0 HHADRP CCN(C(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430932642 977897375 /nfs/dbraw/zinc/89/73/75/977897375.db2.gz ZNOOYKGPGKYYTJ-NRFANRHFSA-N 2 0 414.638 3.556 20 0 HHADRP C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430938843 977901240 /nfs/dbraw/zinc/90/12/40/977901240.db2.gz JLVRCGAIPLCUNB-QGZVFWFLSA-N 2 0 417.623 3.987 20 0 HHADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000430944388 977905158 /nfs/dbraw/zinc/90/51/58/977905158.db2.gz LVRAWWYRUPCFTR-LJQANCHMSA-N 2 0 418.601 3.589 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1 ZINC000431116571 978028488 /nfs/dbraw/zinc/02/84/88/978028488.db2.gz XXXKLNFHKXOWND-UHFFFAOYSA-N 2 0 412.582 3.622 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)[NH+](CC)CC)cc1 ZINC000431367132 978242080 /nfs/dbraw/zinc/24/20/80/978242080.db2.gz AUSFICKYCRKLSC-NRFANRHFSA-N 2 0 420.667 3.759 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704397 978447727 /nfs/dbraw/zinc/44/77/27/978447727.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)cc2)C[C@H](C)O1 ZINC000431902340 978588120 /nfs/dbraw/zinc/58/81/20/978588120.db2.gz ONCUYWOUHRTVTF-ROKPMTFOSA-N 2 0 413.606 3.709 20 0 HHADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OCc1cccs1 ZINC000432365226 978779727 /nfs/dbraw/zinc/77/97/27/978779727.db2.gz RKPXUJZBGZBPCT-SFHVURJKSA-N 2 0 404.576 3.926 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432411405 978800669 /nfs/dbraw/zinc/80/06/69/978800669.db2.gz XWSFTVOGKQUROH-IPCDKGFNSA-N 2 0 411.512 3.909 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805764 /nfs/dbraw/zinc/80/57/64/978805764.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 2 0 411.512 3.847 20 0 HHADRP COc1cc(C[NH+](C)C[C@@H]2CCCC[C@H]2O)cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000432854931 978993010 /nfs/dbraw/zinc/99/30/10/978993010.db2.gz SYZMCABGHFYEJR-OPBMBUAESA-N 2 0 418.622 3.661 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N[C@H]1CCOc2ccccc21 ZINC000433074017 979059408 /nfs/dbraw/zinc/05/94/08/979059408.db2.gz HNVFANWBLDJCNU-QHCPKHFHSA-N 2 0 419.569 3.615 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCc1ccc(Cl)cc1 ZINC000433173814 979117714 /nfs/dbraw/zinc/11/77/14/979117714.db2.gz IUWJNBBEFVLZOL-UHFFFAOYSA-N 2 0 411.977 3.944 20 0 HHADRP C[N@H+](CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)Cc1ccccc1 ZINC000436281876 981282470 /nfs/dbraw/zinc/28/24/70/981282470.db2.gz QLYZJPQEDJWIBI-UHFFFAOYSA-N 2 0 405.542 3.706 20 0 HHADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000436311249 981291783 /nfs/dbraw/zinc/29/17/83/981291783.db2.gz SDMSBRNPZZMMMY-NYVOZVTQSA-N 2 0 415.603 3.513 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436406377 981351424 /nfs/dbraw/zinc/35/14/24/981351424.db2.gz GEGJKYUCQXARNZ-DNVCBOLYSA-N 2 0 419.919 3.665 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448205137 981617481 /nfs/dbraw/zinc/61/74/81/981617481.db2.gz NZLDJRFAAGTBIS-UTQNJUMMSA-N 2 0 422.617 3.840 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208245 981621585 /nfs/dbraw/zinc/62/15/85/981621585.db2.gz GDXOBFDAQTZPIW-MDNUFGMLSA-N 2 0 400.611 3.564 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448208247 981621616 /nfs/dbraw/zinc/62/16/16/981621616.db2.gz GDXOBFDAQTZPIW-WWNPGLIZSA-N 2 0 400.611 3.564 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448212836 981626933 /nfs/dbraw/zinc/62/69/33/981626933.db2.gz MEQYXFXDBNBHBM-CNNODRBYSA-N 2 0 416.635 3.618 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000448212809 981626973 /nfs/dbraw/zinc/62/69/73/981626973.db2.gz LYIHINVPFUMVQI-NQRVTCLYSA-N 2 0 410.606 3.698 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000448258930 981659726 /nfs/dbraw/zinc/65/97/26/981659726.db2.gz ZQWFAPQCWZSRTH-CEMLEFRQSA-N 2 0 400.611 3.801 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000448473814 981815588 /nfs/dbraw/zinc/81/55/88/981815588.db2.gz UHTIRLUXANJSRS-MQSCRBSSSA-N 2 0 414.638 3.810 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000448475402 981817862 /nfs/dbraw/zinc/81/78/62/981817862.db2.gz SOXOGNLOMRYLCT-JOCHJYFZSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000460364364 982140282 /nfs/dbraw/zinc/14/02/82/982140282.db2.gz LFSQPIDDUPWVII-KLGLLFHNSA-N 2 0 407.558 3.654 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460387078 982166691 /nfs/dbraw/zinc/16/66/91/982166691.db2.gz OEGBBZJDPLKOLK-SGNDLWITSA-N 2 0 412.622 3.518 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000437607695 982229599 /nfs/dbraw/zinc/22/95/99/982229599.db2.gz XKFANMLGKZLQIX-KRWDZBQOSA-N 2 0 400.489 3.894 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000438040714 982543329 /nfs/dbraw/zinc/54/33/29/982543329.db2.gz KOTWCKPPKPHTDD-HSZRJFAPSA-N 2 0 422.573 3.797 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000438086647 982579812 /nfs/dbraw/zinc/57/98/12/982579812.db2.gz BWKAOHBLEVRXDL-SFHVURJKSA-N 2 0 412.578 3.727 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906697 982642199 /nfs/dbraw/zinc/64/21/99/982642199.db2.gz DFMKZPISRNZRSP-KRWDZBQOSA-N 2 0 403.592 3.706 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460987511 982709723 /nfs/dbraw/zinc/70/97/23/982709723.db2.gz AIHQFEXPNMJAMX-MOPGFXCFSA-N 2 0 400.394 3.829 20 0 HHADRP C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495800 982839376 /nfs/dbraw/zinc/83/93/76/982839376.db2.gz WPKUQIXLZHIIKB-XMMPIXPASA-N 2 0 409.599 3.838 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438840719 983109046 /nfs/dbraw/zinc/10/90/46/983109046.db2.gz NYPHORJSHDFZRB-HSALFYBXSA-N 2 0 415.626 3.663 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842790 983110797 /nfs/dbraw/zinc/11/07/97/983110797.db2.gz SVJDIPHVPHNQKO-RDPSFJRHSA-N 2 0 421.589 3.571 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000438849930 983116451 /nfs/dbraw/zinc/11/64/51/983116451.db2.gz LBZULOOPQNTPOE-PMACEKPBSA-N 2 0 401.599 3.561 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454174 983120448 /nfs/dbraw/zinc/12/04/48/983120448.db2.gz GMTWVMDEMMYLDM-GGLXGSTNSA-N 2 0 417.597 3.735 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865651 983130478 /nfs/dbraw/zinc/13/04/78/983130478.db2.gz RZHPEHZIJSNONN-VQTJNVASSA-N 2 0 415.626 3.807 20 0 HHADRP CSC1(CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC[NH+](C)CC1 ZINC000461510623 983157903 /nfs/dbraw/zinc/15/79/03/983157903.db2.gz FWJSVIHVFJHSIA-NRFANRHFSA-N 2 0 420.667 3.614 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438971190 983186668 /nfs/dbraw/zinc/18/66/68/983186668.db2.gz XFEXPNNENLWNKJ-FQEVSTJZSA-N 2 0 423.605 3.948 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974876 983189250 /nfs/dbraw/zinc/18/92/50/983189250.db2.gz PQHPOOUCGKVHHK-YKSBVNFPSA-N 2 0 423.605 3.989 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3OC)cc2)CC1 ZINC000439076116 983238925 /nfs/dbraw/zinc/23/89/25/983238925.db2.gz HBOXBOLFCLVSEI-IBGZPJMESA-N 2 0 424.589 3.642 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439144993 983271439 /nfs/dbraw/zinc/27/14/39/983271439.db2.gz WMKKEVSCCMBULB-SFHVURJKSA-N 2 0 400.430 3.825 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000439148053 983273035 /nfs/dbraw/zinc/27/30/35/983273035.db2.gz QGGYLHWPKHQGQR-YJBOKZPZSA-N 2 0 400.430 3.823 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000439196609 983304776 /nfs/dbraw/zinc/30/47/76/983304776.db2.gz HAGXHEBADXFTSM-NRFANRHFSA-N 2 0 421.589 3.525 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197783 983305624 /nfs/dbraw/zinc/30/56/24/983305624.db2.gz JCHPQPOQWPGDHR-GBXCKJPGSA-N 2 0 421.589 3.743 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000439214316 983313475 /nfs/dbraw/zinc/31/34/75/983313475.db2.gz SJXTTZPHYCTIJM-LJQANCHMSA-N 2 0 409.578 3.558 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000439224604 983317580 /nfs/dbraw/zinc/31/75/80/983317580.db2.gz LXQYLOZRMSIQHD-UHFFFAOYSA-N 2 0 418.582 3.625 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439361495 983379231 /nfs/dbraw/zinc/37/92/31/983379231.db2.gz VBKMRULPSCJSEJ-PXNSSMCTSA-N 2 0 420.648 3.966 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000439765156 983529483 /nfs/dbraw/zinc/52/94/83/983529483.db2.gz DZTHFWJEBUZYCE-FQEVSTJZSA-N 2 0 424.589 3.758 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000440174132 983669540 /nfs/dbraw/zinc/66/95/40/983669540.db2.gz ICBRGSYHLJBNMG-FQEVSTJZSA-N 2 0 415.626 3.761 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000441057620 984047647 /nfs/dbraw/zinc/04/76/47/984047647.db2.gz AHRBZVQMDVVHEG-FQRUVTKNSA-N 2 0 405.586 3.666 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1(C)C ZINC000441361063 984208489 /nfs/dbraw/zinc/20/84/89/984208489.db2.gz YPHGPNYLYFMFMW-UHFFFAOYSA-N 2 0 408.306 3.584 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441367195 984211974 /nfs/dbraw/zinc/21/19/74/984211974.db2.gz PWPDJMJDDAREOX-UHFFFAOYSA-N 2 0 417.601 3.714 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000441519730 984299861 /nfs/dbraw/zinc/29/98/61/984299861.db2.gz BCCVQMOPMSMUTO-UEUFPXFLSA-N 2 0 412.622 3.803 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000441526500 984304447 /nfs/dbraw/zinc/30/44/47/984304447.db2.gz SMFVEUBYINOYGP-UHFFFAOYSA-N 2 0 407.002 3.724 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000442196969 984717898 /nfs/dbraw/zinc/71/78/98/984717898.db2.gz AMUDDDXESHZCAG-UHFFFAOYSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729205 984743586 /nfs/dbraw/zinc/74/35/86/984743586.db2.gz PTIINSZSTHFMNZ-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000461730079 984744325 /nfs/dbraw/zinc/74/43/25/984744325.db2.gz RBAXDUADJQLFBF-ZJSXRUAMSA-N 2 0 423.605 3.598 20 0 HHADRP COCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114857 985084085 /nfs/dbraw/zinc/08/40/85/985084085.db2.gz YJTDARXPPBEYCY-GHTZIAJQSA-N 2 0 413.528 3.789 20 0 HHADRP COCC[NH+]1CCC(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114860 985084721 /nfs/dbraw/zinc/08/47/21/985084721.db2.gz YJTDARXPPBEYCY-WIYYLYMNSA-N 2 0 413.528 3.789 20 0 HHADRP CCC[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000462512445 985463093 /nfs/dbraw/zinc/46/30/93/985463093.db2.gz PYNGPKJHKXAXAH-NRFANRHFSA-N 2 0 418.651 3.510 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468001373 985650198 /nfs/dbraw/zinc/65/01/98/985650198.db2.gz BGLIDDNBDMIGHI-QZNHQXDQSA-N 2 0 400.611 3.879 20 0 HHADRP COCCC[NH+]1CCC(Nc2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000462798368 985731269 /nfs/dbraw/zinc/73/12/69/985731269.db2.gz KRBJAQSTPYNZGN-UHFFFAOYSA-N 2 0 406.368 3.949 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800511 985733071 /nfs/dbraw/zinc/73/30/71/985733071.db2.gz FTZNBUFUXOGPKO-ZEQRLZLVSA-N 2 0 403.586 3.832 20 0 HHADRP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443588501 985764333 /nfs/dbraw/zinc/76/43/33/985764333.db2.gz BECFMVBVGLYGRS-UHFFFAOYSA-N 2 0 401.595 3.632 20 0 HHADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602776 985779979 /nfs/dbraw/zinc/77/99/79/985779979.db2.gz LQFWSXDKKJIQKU-IBGZPJMESA-N 2 0 415.578 3.763 20 0 HHADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443629718 985808787 /nfs/dbraw/zinc/80/87/87/985808787.db2.gz MTXYCCCFPPMGHZ-UHFFFAOYSA-N 2 0 400.954 3.650 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443634771 985815480 /nfs/dbraw/zinc/81/54/80/985815480.db2.gz SRCGFKJHYNDGLX-UWJYYQICSA-N 2 0 407.002 3.534 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635397 985816662 /nfs/dbraw/zinc/81/66/62/985816662.db2.gz YCWJHWSSSYWQHN-ZJSXRUAMSA-N 2 0 414.638 3.703 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000462905538 985836678 /nfs/dbraw/zinc/83/66/78/985836678.db2.gz CZUGXISMTBCTAN-FQEVSTJZSA-N 2 0 410.581 3.972 20 0 HHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000468362787 986060672 /nfs/dbraw/zinc/06/06/72/986060672.db2.gz BNTQPOWGYHTDSX-NYPGBQQYSA-N 2 0 408.590 3.899 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468425661 986124279 /nfs/dbraw/zinc/12/42/79/986124279.db2.gz AMPGADYPSLOOGJ-WMZHIEFXSA-N 2 0 409.574 3.503 20 0 HHADRP Cc1cc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000443922214 986126698 /nfs/dbraw/zinc/12/66/98/986126698.db2.gz OAHLRTWFBYWSDO-UHFFFAOYSA-N 2 0 416.614 3.623 20 0 HHADRP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463245304 986212741 /nfs/dbraw/zinc/21/27/41/986212741.db2.gz RMBKTPRCBYYBGG-VWLOTQADSA-N 2 0 409.643 3.901 20 0 HHADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463244830 986212977 /nfs/dbraw/zinc/21/29/77/986212977.db2.gz YZRHPLGTLMCMEI-ZSQFBXSQSA-N 2 0 407.602 3.920 20 0 HHADRP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463264040 986231802 /nfs/dbraw/zinc/23/18/02/986231802.db2.gz FAWRIOMLPVNJQZ-GMAHTHKFSA-N 2 0 414.569 3.501 20 0 HHADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000468710225 986424805 /nfs/dbraw/zinc/42/48/05/986424805.db2.gz RNDLNRAGSQFOEP-QFIPXVFZSA-N 2 0 408.546 3.570 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000463628483 986604195 /nfs/dbraw/zinc/60/41/95/986604195.db2.gz LKFSSCZGOILXEL-GOSISDBHSA-N 2 0 424.511 3.685 20 0 HHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000444797583 986952919 /nfs/dbraw/zinc/95/29/19/986952919.db2.gz DCKHRDMMJYKJLN-LJQANCHMSA-N 2 0 416.610 3.760 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000469309747 987021939 /nfs/dbraw/zinc/02/19/39/987021939.db2.gz ZLOVZUOFURIAGC-YJBOKZPZSA-N 2 0 401.414 3.881 20 0 HHADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000469736518 987386630 /nfs/dbraw/zinc/38/66/30/987386630.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 0 403.526 3.802 20 0 HHADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469979884 987597055 /nfs/dbraw/zinc/59/70/55/987597055.db2.gz BHQAXCPWUMEHHR-VWLOTQADSA-N 2 0 421.585 3.832 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463956192 988068489 /nfs/dbraw/zinc/06/84/89/988068489.db2.gz XQOXNINHYXFBQB-UYAOXDASSA-N 2 0 400.592 3.657 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470282845 988238366 /nfs/dbraw/zinc/23/83/66/988238366.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 2 0 400.611 3.516 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470287013 988243980 /nfs/dbraw/zinc/24/39/80/988243980.db2.gz XUNASMJNLPZOTK-VQIMIIECSA-N 2 0 414.516 3.585 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000470729918 988760056 /nfs/dbraw/zinc/76/00/56/988760056.db2.gz MOPQXDJQIWHZPT-PXDATVDWSA-N 2 0 420.601 3.739 20 0 HHADRP CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470731628 988763291 /nfs/dbraw/zinc/76/32/91/988763291.db2.gz FQOFEPLUKWGKBH-PKTZIBPZSA-N 2 0 412.553 3.734 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733276 988766460 /nfs/dbraw/zinc/76/64/60/988766460.db2.gz QPMQQRLVRWOVKC-UPVQGACJSA-N 2 0 412.622 3.833 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733275 988766604 /nfs/dbraw/zinc/76/66/04/988766604.db2.gz QPMQQRLVRWOVKC-LADGPHEKSA-N 2 0 412.622 3.833 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470749460 988790638 /nfs/dbraw/zinc/79/06/38/988790638.db2.gz NZUHEJPXRHNTRW-VSKRKVRLSA-N 2 0 412.622 3.792 20 0 HHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000464769924 988993523 /nfs/dbraw/zinc/99/35/23/988993523.db2.gz BFMRBAMKOUIXLZ-AWEZNQCLSA-N 2 0 400.336 3.581 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000464824054 989061434 /nfs/dbraw/zinc/06/14/34/989061434.db2.gz SCFQOOYARLLSLM-LEWJYISDSA-N 2 0 400.611 3.696 20 0 HHADRP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007018 989075097 /nfs/dbraw/zinc/07/50/97/989075097.db2.gz LOTDMNXHHAXPJB-OUJSJNLKSA-N 2 0 406.570 3.505 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178861 989309220 /nfs/dbraw/zinc/30/92/20/989309220.db2.gz PSDWFNIPYXXYMX-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000465076501 989396022 /nfs/dbraw/zinc/39/60/22/989396022.db2.gz MVNYTNZXJDUTPQ-HSZRJFAPSA-N 2 0 400.611 3.518 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509104 989707244 /nfs/dbraw/zinc/70/72/44/989707244.db2.gz ZBFKXVUNPNFPNA-RTWAWAEBSA-N 2 0 412.603 3.706 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465429442 989774442 /nfs/dbraw/zinc/77/44/42/989774442.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465437835 989783256 /nfs/dbraw/zinc/78/32/56/989783256.db2.gz HNAATCGNIXEMLS-UKILVPOCSA-N 2 0 420.601 3.987 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000465457588 989797334 /nfs/dbraw/zinc/79/73/34/989797334.db2.gz XCYXDKICLUCPHI-LADGPHEKSA-N 2 0 408.590 3.843 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471601969 989806289 /nfs/dbraw/zinc/80/62/89/989806289.db2.gz AFZACWWKHCJZST-IVMQYODDSA-N 2 0 418.548 3.746 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccsc1 ZINC000465517284 989869521 /nfs/dbraw/zinc/86/95/21/989869521.db2.gz CGBDJESSJSPJQE-NRFANRHFSA-N 2 0 414.619 3.529 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465524059 989878204 /nfs/dbraw/zinc/87/82/04/989878204.db2.gz CYNPSSUXZVUDNX-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000465523984 989878421 /nfs/dbraw/zinc/87/84/21/989878421.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 2 0 420.601 3.598 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465530048 989890119 /nfs/dbraw/zinc/89/01/19/989890119.db2.gz YITVVNSSZFLXNV-FAKFISEUSA-N 2 0 400.611 3.789 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)C1 ZINC000465695388 990081692 /nfs/dbraw/zinc/08/16/92/990081692.db2.gz SCDACMSVAAFIER-UNMCSNQZSA-N 2 0 416.610 3.596 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000465730122 990115395 /nfs/dbraw/zinc/11/53/95/990115395.db2.gz YHAWLHFFCPUZQQ-MOPGFXCFSA-N 2 0 414.516 3.738 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000465814224 990197472 /nfs/dbraw/zinc/19/74/72/990197472.db2.gz MCZJROCUIXGTTD-ZJSXRUAMSA-N 2 0 408.590 3.904 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)c1 ZINC000465820821 990203970 /nfs/dbraw/zinc/20/39/70/990203970.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 2 0 408.590 3.944 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000472089735 990247232 /nfs/dbraw/zinc/24/72/32/990247232.db2.gz WPMDDWFLZMFXLO-LJQANCHMSA-N 2 0 414.516 3.826 20 0 HHADRP CCSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000465890206 991014717 /nfs/dbraw/zinc/01/47/17/991014717.db2.gz NERAMWYMTCSGDH-ICSRJNTNSA-N 2 0 406.640 3.917 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000466070829 991242956 /nfs/dbraw/zinc/24/29/56/991242956.db2.gz AFVHFAJPTNEXAO-WIYYLYMNSA-N 2 0 418.607 3.806 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000466097557 991276779 /nfs/dbraw/zinc/27/67/79/991276779.db2.gz HKDAGUGSKXQCMS-UWJYYQICSA-N 2 0 416.591 3.893 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466107345 991284442 /nfs/dbraw/zinc/28/44/42/991284442.db2.gz URUHQIRRRIBFAU-WIYYLYMNSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466224016 991443847 /nfs/dbraw/zinc/44/38/47/991443847.db2.gz YRHPQBYZZKGBLS-OFVILXPXSA-N 2 0 420.601 3.656 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000466720744 992032059 /nfs/dbraw/zinc/03/20/59/992032059.db2.gz BJPPLZJTYPENTI-ZWKOTPCHSA-N 2 0 410.002 3.729 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000466728360 992038635 /nfs/dbraw/zinc/03/86/35/992038635.db2.gz IINMJJVFZAUDBX-CALCHBBNSA-N 2 0 416.484 3.785 20 0 HHADRP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466917441 992231069 /nfs/dbraw/zinc/23/10/69/992231069.db2.gz QCDPSYKDDCCWCB-XMMPIXPASA-N 2 0 424.585 3.670 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096141 992401588 /nfs/dbraw/zinc/40/15/88/992401588.db2.gz XJVHMWYDBDQZAF-OAQYLSRUSA-N 2 0 408.590 3.597 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000467098509 992404407 /nfs/dbraw/zinc/40/44/07/992404407.db2.gz BEJLCWIAOBCZFF-NFBKMPQASA-N 2 0 400.611 3.587 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000467101138 992408511 /nfs/dbraw/zinc/40/85/11/992408511.db2.gz OHLDQAADYATNSN-UHFFFAOYSA-N 2 0 400.611 3.588 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000467175955 992497026 /nfs/dbraw/zinc/49/70/26/992497026.db2.gz LWWIBCKGWIVYTP-UYAOXDASSA-N 2 0 407.624 3.623 20 0 HHADRP C[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000467418184 992720071 /nfs/dbraw/zinc/72/00/71/992720071.db2.gz MYIBWHGHGBEOHK-SFHVURJKSA-N 2 0 417.981 3.968 20 0 HHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000467426012 992725466 /nfs/dbraw/zinc/72/54/66/992725466.db2.gz UHHGUNFHTDCXHY-WOJBJXKFSA-N 2 0 413.400 3.863 20 0 HHADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690240 992945920 /nfs/dbraw/zinc/94/59/20/992945920.db2.gz CNFIYPVAQZIHAK-CVDCTZTESA-N 2 0 409.599 3.628 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467691247 992947818 /nfs/dbraw/zinc/94/78/18/992947818.db2.gz ANTOFPLSJBYRIB-QTDDQOEGSA-N 2 0 421.585 3.689 20 0 HHADRP CN1CCO[C@@H]([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000467748122 992995310 /nfs/dbraw/zinc/99/53/10/992995310.db2.gz XAAQBDCPTWVDNT-PKTZIBPZSA-N 2 0 414.981 3.613 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000472094597 993144098 /nfs/dbraw/zinc/14/40/98/993144098.db2.gz MMMLJBYDAPEIQA-NRFANRHFSA-N 2 0 400.611 3.936 20 0 HHADRP COc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000472158752 993209862 /nfs/dbraw/zinc/20/98/62/993209862.db2.gz NRJUQUZAWAQAIR-IBGZPJMESA-N 2 0 415.553 3.529 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000472304410 993316885 /nfs/dbraw/zinc/31/68/85/993316885.db2.gz GJGZFYWZYGESIY-XMMPIXPASA-N 2 0 412.622 3.806 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OC(F)F)c(OC)c3)cn2)CC1 ZINC000480722505 993590479 /nfs/dbraw/zinc/59/04/79/993590479.db2.gz XIYPOJXAOCGXLN-MRXNPFEDSA-N 2 0 420.504 3.684 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728547 993596130 /nfs/dbraw/zinc/59/61/30/993596130.db2.gz QHMHQCHGUOLFBD-AQNXPRMDSA-N 2 0 404.562 3.991 20 0 HHADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000480742818 993609494 /nfs/dbraw/zinc/60/94/94/993609494.db2.gz XUYYGHHSAUDVGD-INIZCTEOSA-N 2 0 408.468 3.625 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000480772168 993637417 /nfs/dbraw/zinc/63/74/17/993637417.db2.gz PZYUTTLQTQCOAX-LJQANCHMSA-N 2 0 410.400 3.670 20 0 HHADRP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480888706 993748778 /nfs/dbraw/zinc/74/87/78/993748778.db2.gz IVNOTXLLOZVWJL-HNNXBMFYSA-N 2 0 417.351 3.888 20 0 HHADRP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C[NH+]1CCCCC1 ZINC000480909959 993766026 /nfs/dbraw/zinc/76/60/26/993766026.db2.gz LLCDDAZPLUBUBI-RTBURBONSA-N 2 0 419.591 3.531 20 0 HHADRP O=C(CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000481191080 994023447 /nfs/dbraw/zinc/02/34/47/994023447.db2.gz NSWZPYMJFJIQHV-PKTZIBPZSA-N 2 0 406.574 3.511 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209758 994042528 /nfs/dbraw/zinc/04/25/28/994042528.db2.gz PGLWTNSVYRICDX-YNJKOYDBSA-N 2 0 411.565 3.699 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000481306995 994123444 /nfs/dbraw/zinc/12/34/44/994123444.db2.gz NASGJIDKDTTWNS-WZONZLPQSA-N 2 0 409.565 3.656 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497287 994343886 /nfs/dbraw/zinc/34/38/86/994343886.db2.gz QFGXNPYFZQGCLE-QHCPKHFHSA-N 2 0 403.636 3.576 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473508238 994359108 /nfs/dbraw/zinc/35/91/08/994359108.db2.gz QNYQIIMITMHNNW-AREMUKBSSA-N 2 0 421.585 3.755 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481560174 994394192 /nfs/dbraw/zinc/39/41/92/994394192.db2.gz HHSGLMVDFDGDLO-REWPJTCUSA-N 2 0 422.569 3.964 20 0 HHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473554126 994416564 /nfs/dbraw/zinc/41/65/64/994416564.db2.gz RFWMESWWCRTCFO-HXUWFJFHSA-N 2 0 401.570 3.951 20 0 HHADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424441 /nfs/dbraw/zinc/42/44/41/994424441.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 2 0 421.560 3.628 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000473822308 994751392 /nfs/dbraw/zinc/75/13/92/994751392.db2.gz NLGSFFGXAVQZRR-UHFFFAOYSA-N 2 0 423.605 3.992 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccco1 ZINC000473828606 994759386 /nfs/dbraw/zinc/75/93/86/994759386.db2.gz XTUCCSZPSBGZGS-OAQYLSRUSA-N 2 0 413.566 3.626 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000481906145 994777754 /nfs/dbraw/zinc/77/77/54/994777754.db2.gz CONCBHKCVALYPR-UNMCSNQZSA-N 2 0 412.622 3.992 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000473881339 994828173 /nfs/dbraw/zinc/82/81/73/994828173.db2.gz CFBAVGVKWSHPND-OPYAIIAOSA-N 2 0 414.619 3.807 20 0 HHADRP COc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000482111476 995058624 /nfs/dbraw/zinc/05/86/24/995058624.db2.gz CODVYVJAKULPRC-KRWDZBQOSA-N 2 0 420.504 3.555 20 0 HHADRP COc1cc(OC)c([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000482119260 995065896 /nfs/dbraw/zinc/06/58/96/995065896.db2.gz GKZONWHAKCMKFX-QGZVFWFLSA-N 2 0 418.969 3.615 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(C[NH+](C)C)c3)CCC2)c1 ZINC000474090041 995072706 /nfs/dbraw/zinc/07/27/06/995072706.db2.gz RATRAQWVNDKALT-UHFFFAOYSA-N 2 0 408.546 3.557 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1F ZINC000482125975 995074555 /nfs/dbraw/zinc/07/45/55/995074555.db2.gz YVXPBAKYEDZJLH-MRXNPFEDSA-N 2 0 421.358 3.846 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1F ZINC000482125973 995074779 /nfs/dbraw/zinc/07/47/79/995074779.db2.gz YVXPBAKYEDZJLH-INIZCTEOSA-N 2 0 421.358 3.846 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1OC ZINC000482244581 995225409 /nfs/dbraw/zinc/22/54/09/995225409.db2.gz OTYWDQQADJOQLN-HXUWFJFHSA-N 2 0 403.954 3.881 20 0 HHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000482251620 995231351 /nfs/dbraw/zinc/23/13/51/995231351.db2.gz ZDOYEHNCKGXLQL-HXUWFJFHSA-N 2 0 409.574 3.891 20 0 HHADRP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000482255955 995234109 /nfs/dbraw/zinc/23/41/09/995234109.db2.gz GDSNUZUBJJSHRE-IBGZPJMESA-N 2 0 400.567 3.804 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256409 995234368 /nfs/dbraw/zinc/23/43/68/995234368.db2.gz GYWZZSUESMUYAY-GOSISDBHSA-N 2 0 412.530 3.756 20 0 HHADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000482255957 995234620 /nfs/dbraw/zinc/23/46/20/995234620.db2.gz GDSNUZUBJJSHRE-LJQANCHMSA-N 2 0 400.567 3.804 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482259344 995237474 /nfs/dbraw/zinc/23/74/74/995237474.db2.gz DMRTUQYDGCOXAP-VWNXMTODSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000482334570 995314062 /nfs/dbraw/zinc/31/40/62/995314062.db2.gz RPCRTZZPWLSQOV-AWEZNQCLSA-N 2 0 406.372 3.721 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CC=CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474366948 995346599 /nfs/dbraw/zinc/34/65/99/995346599.db2.gz OQHNPUYYZRZBIE-ICSRJNTNSA-N 2 0 424.511 3.649 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000482460501 995464076 /nfs/dbraw/zinc/46/40/76/995464076.db2.gz PUKHUQWCVXDJKG-KRWDZBQOSA-N 2 0 407.484 3.748 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000474516415 995480028 /nfs/dbraw/zinc/48/00/28/995480028.db2.gz JRKBTFBYPWCQGM-KCZVDYSFSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000474516643 995480052 /nfs/dbraw/zinc/48/00/52/995480052.db2.gz SYIODYDYZFBMTG-NPHXMPSESA-N 2 0 400.611 3.516 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000474518973 995482565 /nfs/dbraw/zinc/48/25/65/995482565.db2.gz WTYULBZKTWMCCJ-FGZHOGPDSA-N 2 0 422.617 3.916 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474529332 995495142 /nfs/dbraw/zinc/49/51/42/995495142.db2.gz YNSRIZTWVDEAPA-JSRBNTPPSA-N 2 0 412.622 3.803 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482541383 995549279 /nfs/dbraw/zinc/54/92/79/995549279.db2.gz FYZATXIQIJYVHA-CQSZACIVSA-N 2 0 411.377 3.842 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000482545795 995554221 /nfs/dbraw/zinc/55/42/21/995554221.db2.gz ZJVKPISMNGAMIH-IBGZPJMESA-N 2 0 402.583 3.944 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000482560864 995566871 /nfs/dbraw/zinc/56/68/71/995566871.db2.gz UBVAUUHPXXBSAJ-IBGZPJMESA-N 2 0 415.603 3.677 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000482562121 995568557 /nfs/dbraw/zinc/56/85/57/995568557.db2.gz PLYBLFRSQAIPML-RLLQIKCJSA-N 2 0 411.512 3.909 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482606246 995605122 /nfs/dbraw/zinc/60/51/22/995605122.db2.gz SOPJKPOOJQMTNI-UHFFFAOYSA-N 2 0 411.638 3.592 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)c2)C1 ZINC000482636849 995631538 /nfs/dbraw/zinc/63/15/38/995631538.db2.gz ACUSLUYAUQRTRU-KNQAVFIVSA-N 2 0 411.521 3.527 20 0 HHADRP Cn1cc(-c2ncc(C[NH2+]CC3CC[NH+](Cc4ccccc4Cl)CC3)cn2)cn1 ZINC000474716862 995655076 /nfs/dbraw/zinc/65/50/76/995655076.db2.gz VREWXJFJUPMVBD-UHFFFAOYSA-N 2 0 410.953 3.532 20 0 HHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000474725448 995661191 /nfs/dbraw/zinc/66/11/91/995661191.db2.gz YUZIESRILWVIIX-SJORKVTESA-N 2 0 410.587 3.870 20 0 HHADRP C[NH+](C)CC1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474816090 995723001 /nfs/dbraw/zinc/72/30/01/995723001.db2.gz XIUPFFFXMFGRHO-UHFFFAOYSA-N 2 0 408.274 3.779 20 0 HHADRP COc1ccc2oc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2c1 ZINC000482788117 995748773 /nfs/dbraw/zinc/74/87/73/995748773.db2.gz LSWFDBYZZMLJNH-UHFFFAOYSA-N 2 0 407.514 3.557 20 0 HHADRP CCC1(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000474889963 995781814 /nfs/dbraw/zinc/78/18/14/995781814.db2.gz YJKWKTJQQPBTEV-UHFFFAOYSA-N 2 0 404.562 3.659 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)oc1C ZINC000482900578 995829554 /nfs/dbraw/zinc/82/95/54/995829554.db2.gz MCVYLENEJIUPJC-LJQANCHMSA-N 2 0 414.594 3.795 20 0 HHADRP CC1(C)CC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC(C)(C)[NH2+]1 ZINC000475142931 995950705 /nfs/dbraw/zinc/95/07/05/995950705.db2.gz YPPFLKZVAOHJMO-VWLOTQADSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475145259 995952346 /nfs/dbraw/zinc/95/23/46/995952346.db2.gz KMPYXRYGGZWBIX-MQSCRBSSSA-N 2 0 400.611 3.660 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175795 995973213 /nfs/dbraw/zinc/97/32/13/995973213.db2.gz RTNSJARQKBBXEC-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475180772 995977402 /nfs/dbraw/zinc/97/74/02/995977402.db2.gz ZCHNUCMPMNCXEE-JOCHJYFZSA-N 2 0 412.553 3.693 20 0 HHADRP C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483137002 995996903 /nfs/dbraw/zinc/99/69/03/995996903.db2.gz SPKPORRDCYFUQX-KRWDZBQOSA-N 2 0 423.648 3.607 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475307989 996058895 /nfs/dbraw/zinc/05/88/95/996058895.db2.gz JXKOOYZMNFYIKE-RVMZIBIISA-N 2 0 410.606 3.701 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487568 996213520 /nfs/dbraw/zinc/21/35/20/996213520.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 2 0 424.585 3.559 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000483515090 996227584 /nfs/dbraw/zinc/22/75/84/996227584.db2.gz UPRNLIADUATZRV-FQEVSTJZSA-N 2 0 415.626 3.817 20 0 HHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000475615493 996249864 /nfs/dbraw/zinc/24/98/64/996249864.db2.gz LEYZWIMWVGJYQM-IBGZPJMESA-N 2 0 409.578 3.509 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000483611918 996285569 /nfs/dbraw/zinc/28/55/69/996285569.db2.gz GSNVDYRBSSJCFI-HXUWFJFHSA-N 2 0 401.599 3.594 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475716755 996319395 /nfs/dbraw/zinc/31/93/95/996319395.db2.gz QYPCSRXFGZPPLS-UHFFFAOYSA-N 2 0 424.427 3.840 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000475725908 996325841 /nfs/dbraw/zinc/32/58/41/996325841.db2.gz PXPAJMGPTACJNW-VQIMIIECSA-N 2 0 410.400 3.590 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000483736245 996357753 /nfs/dbraw/zinc/35/77/53/996357753.db2.gz XWUFURULOHRTGX-OFNKIYASSA-N 2 0 400.611 3.933 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483760319 996370256 /nfs/dbraw/zinc/37/02/56/996370256.db2.gz PBKVSZGOQYYZDQ-GOSISDBHSA-N 2 0 404.624 3.666 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000483801216 996396449 /nfs/dbraw/zinc/39/64/49/996396449.db2.gz DRVNICZJLLMURP-LAUBAEHRSA-N 2 0 404.624 3.837 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(Br)cc2)[C@H](C)C1 ZINC000483834884 996417004 /nfs/dbraw/zinc/41/70/04/996417004.db2.gz KWJNCKUAQHBDOD-HLIPFELVSA-N 2 0 413.400 3.943 20 0 HHADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475962108 996501749 /nfs/dbraw/zinc/50/17/49/996501749.db2.gz ZRWKMLGJUVQVDR-FQEVSTJZSA-N 2 0 404.624 3.981 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000484279701 996675881 /nfs/dbraw/zinc/67/58/81/996675881.db2.gz RHKZVBKNKPSIMK-AWEZNQCLSA-N 2 0 415.500 3.704 20 0 HHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CCCO2 ZINC000484305040 996691541 /nfs/dbraw/zinc/69/15/41/996691541.db2.gz UKKSGZXWAPYYFI-NRFANRHFSA-N 2 0 401.595 3.733 20 0 HHADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000484481583 996800810 /nfs/dbraw/zinc/80/08/10/996800810.db2.gz WFBAZLSKWBSDBT-UYAOXDASSA-N 2 0 413.562 3.574 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488274 996809566 /nfs/dbraw/zinc/80/95/66/996809566.db2.gz UVZDEAJGKWNMBO-LNLFQRSKSA-N 2 0 413.400 3.943 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629789 997151282 /nfs/dbraw/zinc/15/12/82/997151282.db2.gz GNXFKPBYWDDTNT-VXKWHMMOSA-N 2 0 410.562 3.626 20 0 HHADRP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710739 997252670 /nfs/dbraw/zinc/25/26/70/997252670.db2.gz VVYMZARWMLOGEL-AZUAARDMSA-N 2 0 400.592 3.705 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000476807826 997360923 /nfs/dbraw/zinc/36/09/23/997360923.db2.gz NZFIPLAVUXPTBJ-QUCCMNQESA-N 2 0 420.598 3.610 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476906707 997512983 /nfs/dbraw/zinc/51/29/83/997512983.db2.gz XQLHBWCZIKWJLD-QHCPKHFHSA-N 2 0 412.553 3.914 20 0 HHADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476924148 997537080 /nfs/dbraw/zinc/53/70/80/997537080.db2.gz FESKDBVLXFELGQ-LAUBAEHRSA-N 2 0 404.986 3.573 20 0 HHADRP C(CC[NH+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000477049806 997689511 /nfs/dbraw/zinc/68/95/11/997689511.db2.gz KLLQVRRDBIDAFP-PLQXJYEYSA-N 4 0 404.687 3.772 20 0 HHADRP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@@H]5[C@@H](CCC[N@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336071 997752399 /nfs/dbraw/zinc/75/23/99/997752399.db2.gz IDFOOGRQCOZFHU-XDZVQPMWSA-N 4 0 410.650 3.519 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465659 997911039 /nfs/dbraw/zinc/91/10/39/997911039.db2.gz OGNVOYMDTLXLJE-SLFFLAALSA-N 2 0 404.624 3.647 20 0 HHADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000477337909 998025416 /nfs/dbraw/zinc/02/54/16/998025416.db2.gz JIIWCODSBYVFBZ-IBGZPJMESA-N 2 0 414.516 3.653 20 0 HHADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000477359621 998048159 /nfs/dbraw/zinc/04/81/59/998048159.db2.gz LOKRVFZRHUIUNO-SFHVURJKSA-N 2 0 418.532 3.559 20 0 HHADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000477363244 998051621 /nfs/dbraw/zinc/05/16/21/998051621.db2.gz ZKJUJTDJDMDFGY-SFHVURJKSA-N 2 0 418.532 3.559 20 0 HHADRP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319707 998710945 /nfs/dbraw/zinc/71/09/45/998710945.db2.gz KJGTZTIPMDUPGR-SJBKTWHCSA-N 2 0 400.611 3.707 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000486338758 998718890 /nfs/dbraw/zinc/71/88/90/998718890.db2.gz ANHRPVDGPRPBCN-VXKWHMMOSA-N 2 0 414.594 3.535 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000478052826 998738054 /nfs/dbraw/zinc/73/80/54/998738054.db2.gz HWVLJRKUMXCZOJ-QGZVFWFLSA-N 2 0 402.970 3.824 20 0 HHADRP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000486400019 998748611 /nfs/dbraw/zinc/74/86/11/998748611.db2.gz CYYNJHYJDGFUSF-GHTZIAJQSA-N 2 0 411.512 3.936 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000486486000 998790332 /nfs/dbraw/zinc/79/03/32/998790332.db2.gz LIGRNPDEEAQRKI-IBGZPJMESA-N 2 0 405.464 3.771 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000478459424 998971802 /nfs/dbraw/zinc/97/18/02/998971802.db2.gz MMUWRFOTZCAQOJ-XMMPIXPASA-N 2 0 424.589 3.606 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000486949338 999015958 /nfs/dbraw/zinc/01/59/58/999015958.db2.gz ZXUBWQYOKLISOY-UHFFFAOYSA-N 2 0 421.511 3.744 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060779 999051189 /nfs/dbraw/zinc/05/11/89/999051189.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 2 0 408.590 3.717 20 0 HHADRP CC(C)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208949 999097220 /nfs/dbraw/zinc/09/72/20/999097220.db2.gz KIHALJLLWRFFAJ-ZNSGMJNFSA-N 2 0 420.548 3.803 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487208948 999097335 /nfs/dbraw/zinc/09/73/35/999097335.db2.gz KIHALJLLWRFFAJ-MYLBWWTJSA-N 2 0 420.548 3.803 20 0 HHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487262255 999116764 /nfs/dbraw/zinc/11/67/64/999116764.db2.gz AYSABSOKHYZCLW-RDPSFJRHSA-N 2 0 423.626 3.876 20 0 HHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802578 999147750 /nfs/dbraw/zinc/14/77/50/999147750.db2.gz SXCTYFWKYOPJFC-KNQAVFIVSA-N 2 0 412.578 3.981 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000478869694 999184957 /nfs/dbraw/zinc/18/49/57/999184957.db2.gz HLRCLOXWIIHGKV-DEOSSOPVSA-N 2 0 424.589 3.570 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000487729093 999268754 /nfs/dbraw/zinc/26/87/54/999268754.db2.gz VIDIIVZJVNPVNN-UHFFFAOYSA-N 2 0 409.977 3.726 20 0 HHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479060084 999273633 /nfs/dbraw/zinc/27/36/33/999273633.db2.gz MEOREYPJQMHLPJ-RUZDIDTESA-N 2 0 416.569 3.996 20 0 HHADRP C[C@@H](C[NH2+][C@H]1C[C@H](C)CCc2ccc(Br)cc21)CN1CC[NH+](C)CC1 ZINC000479065387 999276844 /nfs/dbraw/zinc/27/68/44/999276844.db2.gz HMKWJCSPLFDDKL-WWMYMODYSA-N 2 0 408.428 3.936 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)(N2CCCCC2)CC1 ZINC000479065047 999277013 /nfs/dbraw/zinc/27/70/13/999277013.db2.gz IDGBYWLWPNRAKA-HSZRJFAPSA-N 2 0 407.606 3.790 20 0 HHADRP Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)on2)cc1 ZINC000487998155 999341953 /nfs/dbraw/zinc/34/19/53/999341953.db2.gz VJPCJQKLVWBWML-UHFFFAOYSA-N 2 0 424.589 3.854 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014267 999348939 /nfs/dbraw/zinc/34/89/39/999348939.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 2 0 406.574 3.642 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c1 ZINC000479330619 999388750 /nfs/dbraw/zinc/38/87/50/999388750.db2.gz LNNYODFNZMIXBG-GOSISDBHSA-N 2 0 403.592 3.643 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)cn2)CC1 ZINC000479332261 999389488 /nfs/dbraw/zinc/38/94/88/999389488.db2.gz SNHKQCKDKFOQQJ-HSZRJFAPSA-N 2 0 416.573 3.576 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000479357088 999401650 /nfs/dbraw/zinc/40/16/50/999401650.db2.gz HNMUQTOQTFKOFM-NFBKMPQASA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190287 999408909 /nfs/dbraw/zinc/40/89/09/999408909.db2.gz RQGUEJMDVPJCCP-RTWAWAEBSA-N 2 0 412.622 3.934 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478536 999434876 /nfs/dbraw/zinc/43/48/76/999434876.db2.gz NKIZRSBLBKBERQ-SGZDXZSOSA-N 2 0 405.549 3.518 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000479556272 999475817 /nfs/dbraw/zinc/47/58/17/999475817.db2.gz QPYPLGWLSPDWDZ-UHFFFAOYSA-N 2 0 416.569 3.794 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000488421985 999482614 /nfs/dbraw/zinc/48/26/14/999482614.db2.gz STMSGDDCNQTMNK-LJQANCHMSA-N 2 0 416.610 3.549 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478900 999501348 /nfs/dbraw/zinc/50/13/48/999501348.db2.gz NNVZXSAZVSDLPC-CYFREDJKSA-N 2 0 400.526 3.888 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000488545789 999523434 /nfs/dbraw/zinc/52/34/34/999523434.db2.gz JTCHPCJADAPCJY-XUZZJYLKSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488551363 999524926 /nfs/dbraw/zinc/52/49/26/999524926.db2.gz UIBJQZKSMLKXNA-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000479810220 999605821 /nfs/dbraw/zinc/60/58/21/999605821.db2.gz TZGGIQXNGMFHBS-FQEVSTJZSA-N 2 0 401.599 3.523 20 0 HHADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000480060292 999705423 /nfs/dbraw/zinc/70/54/23/999705423.db2.gz NLGIBHYWLDQVQC-UHFFFAOYSA-N 2 0 415.622 3.665 20 0 HHADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000480160010 999733636 /nfs/dbraw/zinc/73/36/36/999733636.db2.gz NOFCSMWSXWCUJN-HNNXBMFYSA-N 2 0 410.393 3.776 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279286 999735920 /nfs/dbraw/zinc/73/59/20/999735920.db2.gz UOUPZAXUXZJPER-QHCPKHFHSA-N 2 0 412.578 3.888 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000489293349 999738984 /nfs/dbraw/zinc/73/89/84/999738984.db2.gz FZIFZVGYADWJPI-GBXCKJPGSA-N 2 0 400.611 3.803 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)c1 ZINC000480228937 999750907 /nfs/dbraw/zinc/75/09/07/999750907.db2.gz RZLSKUPIIRKNST-LGGPFLRQSA-N 2 0 413.631 3.985 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000489433182 999766465 /nfs/dbraw/zinc/76/64/65/999766465.db2.gz UYUZVCZLBIOIJN-ILWGZMRPSA-N 2 0 412.578 3.872 20 0 HHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329049 999772606 /nfs/dbraw/zinc/77/26/06/999772606.db2.gz GATGLZLNQACHOM-WMLDXEAASA-N 2 0 417.413 3.768 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530366 999785549 /nfs/dbraw/zinc/78/55/49/999785549.db2.gz LZGABVWSEMATAQ-WMZHIEFXSA-N 2 0 410.562 3.659 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489609373 999802168 /nfs/dbraw/zinc/80/21/68/999802168.db2.gz IYXITNTZEONSNT-VWLOTQADSA-N 2 0 420.601 3.957 20 0 HHADRP Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466827 999805903 /nfs/dbraw/zinc/80/59/03/999805903.db2.gz ZEPOQRKEEJWJQM-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000489651123 999810197 /nfs/dbraw/zinc/81/01/97/999810197.db2.gz SXMMMAZGXGIXOG-HXUWFJFHSA-N 2 0 411.512 3.631 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480541476 999822029 /nfs/dbraw/zinc/82/20/29/999822029.db2.gz ZIAWVWBZWFRHIC-QZTJIDSGSA-N 2 0 412.441 3.848 20 0 HHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480533419 999820009 /nfs/dbraw/zinc/82/00/09/999820009.db2.gz BKGMETYQRRRDRX-HXUWFJFHSA-N 2 0 421.589 3.590 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000480550698 999824337 /nfs/dbraw/zinc/82/43/37/999824337.db2.gz MLKWEAGVFULXQX-WMLDXEAASA-N 2 0 421.479 3.812 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489829798 999845386 /nfs/dbraw/zinc/84/53/86/999845386.db2.gz JNTYSJVFDCNEQG-GGAORHGYSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000489838674 999847107 /nfs/dbraw/zinc/84/71/07/999847107.db2.gz UGRSJKXVOFJQOO-QPPBQGQZSA-N 2 0 408.590 3.718 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1)c1ccccc1 ZINC000480712189 999865539 /nfs/dbraw/zinc/86/55/39/999865539.db2.gz ILXLZZPFFLMDRH-IRLDBZIGSA-N 2 0 413.606 3.657 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490019896 999878986 /nfs/dbraw/zinc/87/89/86/999878986.db2.gz LAENDSOUDRSYSJ-PXDATVDWSA-N 2 0 420.601 3.732 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4[nH]c5ccc(C)cc5c4C3)cn2)CC1 ZINC000490155506 999901371 /nfs/dbraw/zinc/90/13/71/999901371.db2.gz DGTDHSONUYUERK-FQEVSTJZSA-N 2 0 403.574 3.660 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256224 999923125 /nfs/dbraw/zinc/92/31/25/999923125.db2.gz XFVWMXDMCTUUSM-NZQKXSOJSA-N 2 0 424.589 3.652 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000490365161 999945269 /nfs/dbraw/zinc/94/52/69/999945269.db2.gz JMOOYCBNYSDWDJ-QGZVFWFLSA-N 2 0 406.368 3.930 20 0 HHADRP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490799788 1000007931 /nfs/dbraw/zinc/00/79/31/1000007931.db2.gz SSEXTNNZIQRTGR-UGKGYDQZSA-N 2 0 400.526 3.888 20 0 HHADRP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825908 1000012505 /nfs/dbraw/zinc/01/25/05/1000012505.db2.gz LKVWKXYOPCFHSA-PXDATVDWSA-N 2 0 405.586 3.925 20 0 HHADRP C[N@H+](CCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000490898293 1000020829 /nfs/dbraw/zinc/02/08/29/1000020829.db2.gz RCFGFCDWJARYMQ-UHFFFAOYSA-N 2 0 406.574 3.843 20 0 HHADRP C[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490994225 1000031790 /nfs/dbraw/zinc/03/17/90/1000031790.db2.gz KHIYDNPWJGEBFW-PXDATVDWSA-N 2 0 409.574 3.816 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490994226 1000031814 /nfs/dbraw/zinc/03/18/14/1000031814.db2.gz KHIYDNPWJGEBFW-SQJMNOBHSA-N 2 0 409.574 3.816 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027252 1000035937 /nfs/dbraw/zinc/03/59/37/1000035937.db2.gz JEBCIDVNWDTFMF-GGAORHGYSA-N 2 0 405.586 3.804 20 0 HHADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491063653 1000041447 /nfs/dbraw/zinc/04/14/47/1000041447.db2.gz ZVSMSOHZSCNGBN-QHCPKHFHSA-N 2 0 400.588 3.728 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000491082486 1000043606 /nfs/dbraw/zinc/04/36/06/1000043606.db2.gz WOTBZWQZZMTLDF-CVDCTZTESA-N 2 0 416.610 3.592 20 0 HHADRP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000491123358 1000047661 /nfs/dbraw/zinc/04/76/61/1000047661.db2.gz KXRAJJOLINYZPY-GGAORHGYSA-N 2 0 412.622 3.805 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1)CC1CC1 ZINC000491283608 1000061415 /nfs/dbraw/zinc/06/14/15/1000061415.db2.gz LZBGJGJXYFAEMD-UHFFFAOYSA-N 2 0 416.614 3.516 20 0 HHADRP COc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000491309035 1000063428 /nfs/dbraw/zinc/06/34/28/1000063428.db2.gz VMGWSOIPESGBAV-RUZDIDTESA-N 2 0 402.542 3.721 20 0 HHADRP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491331355 1000065795 /nfs/dbraw/zinc/06/57/95/1000065795.db2.gz XTFRVBVGBMWDKJ-HSZRJFAPSA-N 2 0 417.981 3.674 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000491343664 1000066767 /nfs/dbraw/zinc/06/67/67/1000066767.db2.gz QIILOSHNRWDREK-NRFANRHFSA-N 2 0 402.380 3.766 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491344112 1000066786 /nfs/dbraw/zinc/06/67/86/1000066786.db2.gz WPMDEYMTDICWRT-NRFANRHFSA-N 2 0 420.370 3.905 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000491343665 1000066788 /nfs/dbraw/zinc/06/67/88/1000066788.db2.gz QIILOSHNRWDREK-OAQYLSRUSA-N 2 0 402.380 3.766 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1)CC(C)C ZINC000491390619 1000070822 /nfs/dbraw/zinc/07/08/22/1000070822.db2.gz WVINEDPSPSOOBJ-UHFFFAOYSA-N 2 0 418.630 3.762 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493084151 1000156895 /nfs/dbraw/zinc/15/68/95/1000156895.db2.gz YYEPKIGVNZGMIX-QFIPXVFZSA-N 2 0 403.517 3.993 20 0 HHADRP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000493861259 1000198508 /nfs/dbraw/zinc/19/85/08/1000198508.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 2 0 411.512 3.678 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(Br)cs3)cn2)CC1 ZINC000493937434 1000225200 /nfs/dbraw/zinc/22/52/00/1000225200.db2.gz QGACRHDRAZJOLQ-AWEZNQCLSA-N 2 0 409.397 3.898 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC000504615955 1000293984 /nfs/dbraw/zinc/29/39/84/1000293984.db2.gz WLZHGSKVECHDFA-LEWJYISDSA-N 2 0 401.501 3.563 20 0 HHADRP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070207 1000294225 /nfs/dbraw/zinc/29/42/25/1000294225.db2.gz VTXLFIJNODTNLD-AUSIDOKSSA-N 2 0 409.599 3.628 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504653618 1000310298 /nfs/dbraw/zinc/31/02/98/1000310298.db2.gz DXJWLIFYGNXIDU-OAQYLSRUSA-N 2 0 411.512 3.679 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000504870352 1000416143 /nfs/dbraw/zinc/41/61/43/1000416143.db2.gz RPHFKFGVKKPKKY-HXUWFJFHSA-N 2 0 408.590 3.774 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504922433 1000449742 /nfs/dbraw/zinc/44/97/42/1000449742.db2.gz AZNNSHLZDVODQH-XMMPIXPASA-N 2 0 406.574 3.746 20 0 HHADRP Cn1cc([C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000494745378 1000631625 /nfs/dbraw/zinc/63/16/25/1000631625.db2.gz ISQQKWCVPIYUSR-RUZDIDTESA-N 2 0 422.548 3.956 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505365903 1000726607 /nfs/dbraw/zinc/72/66/07/1000726607.db2.gz ILUOBKBVOWPAOF-UHFFFAOYSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494926769 1000733727 /nfs/dbraw/zinc/73/37/27/1000733727.db2.gz ZIQHXYHZXGHTQZ-HSALFYBXSA-N 2 0 409.574 3.848 20 0 HHADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)CCC(F)(F)F ZINC000495008514 1000776276 /nfs/dbraw/zinc/77/62/76/1000776276.db2.gz YFOYPBFXOFODSK-KRWDZBQOSA-N 2 0 414.516 3.786 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495041137 1000794772 /nfs/dbraw/zinc/79/47/72/1000794772.db2.gz GZVRXGOGITYDQB-KNQAVFIVSA-N 2 0 419.585 3.510 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000495184256 1000905963 /nfs/dbraw/zinc/90/59/63/1000905963.db2.gz OOPJBCIPZYZWQI-SFHVURJKSA-N 2 0 416.591 3.722 20 0 HHADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000495414643 1001004431 /nfs/dbraw/zinc/00/44/31/1001004431.db2.gz IUBYIABLQXSEBE-OAHLLOKOSA-N 2 0 420.351 3.679 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000505825032 1001045659 /nfs/dbraw/zinc/04/56/59/1001045659.db2.gz OAYPLVMAUOKMPE-NRFANRHFSA-N 2 0 411.546 3.637 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000505925972 1001106196 /nfs/dbraw/zinc/10/61/96/1001106196.db2.gz ZHHZAXLRKZIOPI-IFMALSPDSA-N 2 0 415.647 3.962 20 0 HHADRP CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000506011171 1001161033 /nfs/dbraw/zinc/16/10/33/1001161033.db2.gz YZVNCQVPAODCMB-UHFFFAOYSA-N 2 0 404.518 3.954 20 0 HHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506027537 1001173842 /nfs/dbraw/zinc/17/38/42/1001173842.db2.gz MINZXTXRKSFFBV-HXUWFJFHSA-N 2 0 415.622 3.963 20 0 HHADRP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506030083 1001174958 /nfs/dbraw/zinc/17/49/58/1001174958.db2.gz FVJRBASEMKTKBV-GOSISDBHSA-N 2 0 405.608 3.560 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000506330444 1001358990 /nfs/dbraw/zinc/35/89/90/1001358990.db2.gz JHZJHLDXUFMJKT-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497496299 1001401921 /nfs/dbraw/zinc/40/19/21/1001401921.db2.gz YNVXAQULRAJUEX-UXPWSPDFSA-N 2 0 424.511 3.548 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C[NH+]1CCCCC1 ZINC000497598137 1001452723 /nfs/dbraw/zinc/45/27/23/1001452723.db2.gz KIGKWWOYGHBVBW-OAQYLSRUSA-N 2 0 400.611 3.984 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497612135 1001458762 /nfs/dbraw/zinc/45/87/62/1001458762.db2.gz RUCWILATIUDCQG-JMJGKCIBSA-N 2 0 400.611 3.878 20 0 HHADRP CS[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1[NH+](C)C ZINC000497656994 1001474703 /nfs/dbraw/zinc/47/47/03/1001474703.db2.gz KLSXOLUGDMSCJK-SFTDATJTSA-N 2 0 404.624 3.960 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccco1 ZINC000506623869 1001474753 /nfs/dbraw/zinc/47/47/53/1001474753.db2.gz FCEDXMNFYGVGPJ-PCCBWWKXSA-N 2 0 404.599 3.959 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476392 /nfs/dbraw/zinc/47/63/92/1001476392.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 2 0 412.622 3.585 20 0 HHADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497708165 1001492412 /nfs/dbraw/zinc/49/24/12/1001492412.db2.gz GPSBNYGRQCBIJD-UHFFFAOYSA-N 2 0 423.605 3.731 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)CC1 ZINC000506686264 1001494026 /nfs/dbraw/zinc/49/40/26/1001494026.db2.gz DIRJLCDZYAVFOW-UHFFFAOYSA-N 2 0 421.585 3.535 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687957 1001494316 /nfs/dbraw/zinc/49/43/16/1001494316.db2.gz DWRIQHQMALBQGR-JOCHJYFZSA-N 2 0 422.621 3.526 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793698 1001533358 /nfs/dbraw/zinc/53/33/58/1001533358.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 2 0 400.611 3.803 20 0 HHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506859576 1001569158 /nfs/dbraw/zinc/56/91/58/1001569158.db2.gz FQGJBQPXZJUHIQ-UHFFFAOYSA-N 2 0 410.606 3.773 20 0 HHADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OCc1cccs1 ZINC000506884014 1001579237 /nfs/dbraw/zinc/57/92/37/1001579237.db2.gz JGMDTWYRTXQKGO-UHFFFAOYSA-N 2 0 416.587 3.880 20 0 HHADRP Cc1nc(COc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)cs1 ZINC000506926744 1001597483 /nfs/dbraw/zinc/59/74/83/1001597483.db2.gz GQEXMYKKCKMEHX-UHFFFAOYSA-N 2 0 401.576 3.575 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000498127482 1001653436 /nfs/dbraw/zinc/65/34/36/1001653436.db2.gz UTYGAQPSEYWRDJ-UHFFFAOYSA-N 2 0 418.379 3.715 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949419 1001723587 /nfs/dbraw/zinc/72/35/87/1001723587.db2.gz IVHSEFFDPDYSMM-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000498345257 1001787133 /nfs/dbraw/zinc/78/71/33/1001787133.db2.gz MHAWCYBQIHJETN-UHFFFAOYSA-N 2 0 410.356 3.541 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)CC1 ZINC000507210848 1001899240 /nfs/dbraw/zinc/89/92/40/1001899240.db2.gz TYTAXYOGGONWQA-HSZRJFAPSA-N 2 0 405.586 3.874 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507353461 1002017799 /nfs/dbraw/zinc/01/77/99/1002017799.db2.gz ASSHQJFJSPRCIV-JOCHJYFZSA-N 2 0 422.617 3.911 20 0 HHADRP Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507353469 1002018232 /nfs/dbraw/zinc/01/82/32/1002018232.db2.gz ASSHQJFJSPRCIV-QFIPXVFZSA-N 2 0 422.617 3.911 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115865 /nfs/dbraw/zinc/11/58/65/1002115865.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 2 0 415.528 3.912 20 0 HHADRP CSc1cc2c(cc1C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)OCCO2 ZINC000507722169 1002310105 /nfs/dbraw/zinc/31/01/05/1002310105.db2.gz ITBRAQQCLHXVHQ-UHFFFAOYSA-N 2 0 406.592 3.504 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498919549 1002314626 /nfs/dbraw/zinc/31/46/26/1002314626.db2.gz PBXMSOYDJBPFMD-QFIPXVFZSA-N 2 0 401.570 3.978 20 0 HHADRP COCc1ccccc1/C=C(\C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000507746189 1002323368 /nfs/dbraw/zinc/32/33/68/1002323368.db2.gz DGXZRMRIOSDERH-HMMYKYKNSA-N 2 0 415.622 3.652 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000499001078 1002379960 /nfs/dbraw/zinc/37/99/60/1002379960.db2.gz CERCVZRFZTUYEO-VWNXMTODSA-N 2 0 423.605 3.537 20 0 HHADRP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC000499113379 1002503047 /nfs/dbraw/zinc/50/30/47/1002503047.db2.gz PLVHPLSATIAUEH-ZKGSSEMHSA-N 2 0 418.585 3.744 20 0 HHADRP c1csc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141839 1002526430 /nfs/dbraw/zinc/52/64/30/1002526430.db2.gz NLWZFCUGVHOHCD-BJESRGMDSA-N 2 0 411.615 3.907 20 0 HHADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148870 1002531964 /nfs/dbraw/zinc/53/19/64/1002531964.db2.gz UIGFGNGJEOYEPU-NEWJYFPISA-N 2 0 405.590 3.793 20 0 HHADRP Fc1ccc(N2CCN(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148777 1002532580 /nfs/dbraw/zinc/53/25/80/1002532580.db2.gz DQLPMQSPMMYTNI-YGTOKIDASA-N 2 0 422.592 3.733 20 0 HHADRP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000499150780 1002534296 /nfs/dbraw/zinc/53/42/96/1002534296.db2.gz ZCWSXXKYFDQIOV-STAKNXPZSA-N 2 0 418.629 3.982 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162181 1002548259 /nfs/dbraw/zinc/54/82/59/1002548259.db2.gz AHROVFHJUIEVHO-QYOOZWMWSA-N 2 0 405.586 3.845 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091259 1002614147 /nfs/dbraw/zinc/61/41/47/1002614147.db2.gz WHHRRKOTRUNNNH-SFHVURJKSA-N 2 0 413.587 3.796 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508107304 1002632311 /nfs/dbraw/zinc/63/23/11/1002632311.db2.gz XCIZPJGWKGGIGX-FQEVSTJZSA-N 2 0 415.603 3.815 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[NH+](C)C)cc1 ZINC000508470109 1002954695 /nfs/dbraw/zinc/95/46/95/1002954695.db2.gz RVNYSSXHNFNHRM-HSZRJFAPSA-N 2 0 411.615 3.831 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719495 1003159915 /nfs/dbraw/zinc/15/99/15/1003159915.db2.gz KWJUHZZNYZHZTO-DFCKQENNSA-N 2 0 407.602 3.869 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722659 1003162912 /nfs/dbraw/zinc/16/29/12/1003162912.db2.gz YFYOKSXVKLUOTL-NFBKMPQASA-N 2 0 417.557 3.522 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722661 1003164037 /nfs/dbraw/zinc/16/40/37/1003164037.db2.gz YFYOKSXVKLUOTL-OFNKIYASSA-N 2 0 417.557 3.522 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508849351 1003270205 /nfs/dbraw/zinc/27/02/05/1003270205.db2.gz BMWXPMJUUJYWOU-BGWNEDDSSA-N 2 0 408.590 3.841 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508853329 1003273283 /nfs/dbraw/zinc/27/32/83/1003273283.db2.gz QUWOPQQSLKVYCV-WMZHIEFXSA-N 2 0 409.578 3.560 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508924442 1003364681 /nfs/dbraw/zinc/36/46/81/1003364681.db2.gz PPSRNADXDIGZRE-AVRDEDQJSA-N 2 0 400.542 3.590 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1)c1ccccc1 ZINC000500482202 1003741060 /nfs/dbraw/zinc/74/10/60/1003741060.db2.gz BIDUKZQWJLGLOR-XUZZJYLKSA-N 2 0 421.585 3.667 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502915 1003750006 /nfs/dbraw/zinc/75/00/06/1003750006.db2.gz PPMMCRHLSDNUPF-NZQKXSOJSA-N 2 0 409.574 3.696 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000500502914 1003750209 /nfs/dbraw/zinc/75/02/09/1003750209.db2.gz PPMMCRHLSDNUPF-NFBKMPQASA-N 2 0 409.574 3.696 20 0 HHADRP O=C(C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000511843387 1003820444 /nfs/dbraw/zinc/82/04/44/1003820444.db2.gz NAIBHQCOVDJVSA-PMACEKPBSA-N 2 0 409.496 3.674 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)cc1 ZINC000500615699 1003833627 /nfs/dbraw/zinc/83/36/27/1003833627.db2.gz IRZGYSLFVIZFPY-HSZRJFAPSA-N 2 0 416.610 3.596 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719439 1003919179 /nfs/dbraw/zinc/91/91/79/1003919179.db2.gz ZOCIKFPLSAABAN-NFBKMPQASA-N 2 0 421.589 3.775 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000500779425 1003951223 /nfs/dbraw/zinc/95/12/23/1003951223.db2.gz OMLFTMAFMWSKEY-CWAQXLGLSA-N 2 0 412.622 3.945 20 0 HHADRP CC[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000500802258 1003966605 /nfs/dbraw/zinc/96/66/05/1003966605.db2.gz DIWYNUYYFAHVAN-HSZRJFAPSA-N 2 0 400.611 3.587 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000512036667 1003971679 /nfs/dbraw/zinc/97/16/79/1003971679.db2.gz ATCHADWDCDDXFL-CALCHBBNSA-N 2 0 410.484 3.870 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512120662 1004037173 /nfs/dbraw/zinc/03/71/73/1004037173.db2.gz HEUZJWOSWASLEM-NRFANRHFSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512139255 1004051159 /nfs/dbraw/zinc/05/11/59/1004051159.db2.gz KRXPJJFQQBQBSJ-HBMCJLEFSA-N 2 0 421.589 3.604 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171292 1004074787 /nfs/dbraw/zinc/07/47/87/1004074787.db2.gz GPSUOHDFRWCXSN-GOTSBHOMSA-N 2 0 408.590 3.889 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501018720 1004121989 /nfs/dbraw/zinc/12/19/89/1004121989.db2.gz FXTOZNOTZZQLSM-MOPGFXCFSA-N 2 0 410.562 3.504 20 0 HHADRP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025538 1004129622 /nfs/dbraw/zinc/12/96/22/1004129622.db2.gz ZAPICRFEIBGYIP-RUZDIDTESA-N 2 0 406.574 3.806 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000509835241 1004134876 /nfs/dbraw/zinc/13/48/76/1004134876.db2.gz YWCLGHOWQDUWLJ-YADHBBJMSA-N 2 0 400.588 3.861 20 0 HHADRP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512280718 1004182137 /nfs/dbraw/zinc/18/21/37/1004182137.db2.gz PLWNYOJPMAQWPT-WXFUMESZSA-N 2 0 412.599 3.622 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000501085172 1004190966 /nfs/dbraw/zinc/19/09/66/1004190966.db2.gz MSTXZUBIYPAQBM-TZIWHRDSSA-N 2 0 406.640 3.894 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501090526 1004196636 /nfs/dbraw/zinc/19/66/36/1004196636.db2.gz SLSUFGYXBVGQKG-IBGZPJMESA-N 2 0 423.561 3.583 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090534 1004196845 /nfs/dbraw/zinc/19/68/45/1004196845.db2.gz SNASVSAHGASCBH-INIZCTEOSA-N 2 0 418.488 3.858 20 0 HHADRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000512312538 1004209411 /nfs/dbraw/zinc/20/94/11/1004209411.db2.gz DREYQXSUKJDVEC-JQVVWYNYSA-N 2 0 401.595 3.847 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000509993929 1004252916 /nfs/dbraw/zinc/25/29/16/1004252916.db2.gz JPVZSSHGSPTMAZ-QHCPKHFHSA-N 2 0 421.589 3.615 20 0 HHADRP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000510008232 1004261892 /nfs/dbraw/zinc/26/18/92/1004261892.db2.gz PXYXXINAONCJJL-UHFFFAOYSA-N 2 0 419.997 3.610 20 0 HHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000512399851 1004271508 /nfs/dbraw/zinc/27/15/08/1004271508.db2.gz BHXNVPQNUMHWPB-UHFFFAOYSA-N 2 0 417.553 3.943 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512407529 1004276254 /nfs/dbraw/zinc/27/62/54/1004276254.db2.gz WGHXOGZWYFMWON-FYYLOGMGSA-N 2 0 412.622 3.947 20 0 HHADRP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000512414686 1004282407 /nfs/dbraw/zinc/28/24/07/1004282407.db2.gz HYZRGYXYXUTEDM-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512423916 1004289706 /nfs/dbraw/zinc/28/97/06/1004289706.db2.gz LNBNMKPJVQIVMC-GMKZXUHWSA-N 2 0 412.622 3.947 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510098529 1004322447 /nfs/dbraw/zinc/32/24/47/1004322447.db2.gz GZNWTDMUADNLMA-HSZRJFAPSA-N 2 0 424.589 3.767 20 0 HHADRP Fc1ccc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481759 1004334412 /nfs/dbraw/zinc/33/44/12/1004334412.db2.gz XZDMKPNXQVMVJS-QFIPXVFZSA-N 2 0 404.533 3.766 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)ccc1OC ZINC000510124647 1004341627 /nfs/dbraw/zinc/34/16/27/1004341627.db2.gz RXKAIXKNIFGRAU-UHFFFAOYSA-N 2 0 418.582 3.508 20 0 HHADRP C[NH+](Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143277 1004353474 /nfs/dbraw/zinc/35/34/74/1004353474.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 2 0 411.384 3.671 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388902 1004385080 /nfs/dbraw/zinc/38/50/80/1004385080.db2.gz VLDFUBDMDRFMSI-YUVXSKOASA-N 2 0 412.578 3.919 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436410 /nfs/dbraw/zinc/43/64/10/1004436410.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 2 0 419.613 3.909 20 0 HHADRP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512635490 1004447901 /nfs/dbraw/zinc/44/79/01/1004447901.db2.gz HNGKNKZEDFDBQV-ZKMPZPQNSA-N 2 0 403.570 3.969 20 0 HHADRP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512637341 1004449475 /nfs/dbraw/zinc/44/94/75/1004449475.db2.gz UXDKCNLUORFZAY-CCDWMCETSA-N 2 0 405.586 3.821 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512640963 1004452697 /nfs/dbraw/zinc/45/26/97/1004452697.db2.gz BWOQNIMLNJZGQE-KPJVPSPYSA-N 2 0 411.634 3.645 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510325948 1004483517 /nfs/dbraw/zinc/48/35/17/1004483517.db2.gz IYQCNHZTLJCHTP-NHCUHLMSSA-N 2 0 412.622 3.934 20 0 HHADRP CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)Cc2ccccc21 ZINC000512676993 1004485592 /nfs/dbraw/zinc/48/55/92/1004485592.db2.gz GJESIHNPJCMBNS-DEOSSOPVSA-N 2 0 421.585 3.880 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000510332245 1004487823 /nfs/dbraw/zinc/48/78/23/1004487823.db2.gz PSQTXMBDCOLMBI-HXUWFJFHSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510345318 1004496978 /nfs/dbraw/zinc/49/69/78/1004496978.db2.gz ZBYXZLFTEPYIGQ-RBBKRZOGSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534268 1004497562 /nfs/dbraw/zinc/49/75/62/1004497562.db2.gz CTXOECNLZOABMX-UXHICEINSA-N 2 0 406.574 3.986 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693161 1004499164 /nfs/dbraw/zinc/49/91/64/1004499164.db2.gz HKRGDGYUIVFUFX-MSOLQXFVSA-N 2 0 422.564 3.691 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000512718357 1004515564 /nfs/dbraw/zinc/51/55/64/1004515564.db2.gz MHWYXPIDRVCWKZ-UHFFFAOYSA-N 2 0 405.995 3.958 20 0 HHADRP FC(F)OC[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](COC(F)F)C3)cc2)C1 ZINC000512796586 1004563951 /nfs/dbraw/zinc/56/39/51/1004563951.db2.gz IMLPFOBXKJCOIW-QZTJIDSGSA-N 2 0 404.448 3.809 20 0 HHADRP c1nn([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](n4ncc5ccccc54)C3)C2)c2ccccc12 ZINC000510448126 1004573313 /nfs/dbraw/zinc/57/33/13/1004573313.db2.gz ZNICQQPPKLWBGO-ZRZAMGCNSA-N 2 0 414.557 3.970 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)[NH+](C)C)cc1 ZINC000512830678 1004588444 /nfs/dbraw/zinc/58/84/44/1004588444.db2.gz BLVICZUUOOOQPQ-GIWBLDEGSA-N 2 0 416.610 3.733 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000512916596 1004688106 /nfs/dbraw/zinc/68/81/06/1004688106.db2.gz DTRCEPXYPQVOJL-HSZRJFAPSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510561330 1004703798 /nfs/dbraw/zinc/70/37/98/1004703798.db2.gz NCPFMTOZFZDJKV-ICSRJNTNSA-N 2 0 416.585 3.742 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000501770157 1004707527 /nfs/dbraw/zinc/70/75/27/1004707527.db2.gz NGLGWDDVZZMCBN-PZJWPPBQSA-N 2 0 421.651 3.871 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510570082 1004714812 /nfs/dbraw/zinc/71/48/12/1004714812.db2.gz FAYSNUYXEZGBBC-SIKLNZKXSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000501776760 1004715591 /nfs/dbraw/zinc/71/55/91/1004715591.db2.gz RYTHHWHNGCNWBL-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510575635 1004722066 /nfs/dbraw/zinc/72/20/66/1004722066.db2.gz ZMHLPLYBNDACES-IRFCIJBXSA-N 2 0 402.583 3.759 20 0 HHADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501784847 1004726715 /nfs/dbraw/zinc/72/67/15/1004726715.db2.gz JJIBRUJHQCRJSQ-HSZRJFAPSA-N 2 0 401.595 3.803 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580991 1004728501 /nfs/dbraw/zinc/72/85/01/1004728501.db2.gz QSSQQJQOMVEJSF-VAPSRWTKSA-N 2 0 412.622 3.849 20 0 HHADRP COc1ccccc1CC(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513068811 1004789694 /nfs/dbraw/zinc/78/96/94/1004789694.db2.gz LLJLUMPIMKJZIE-UHFFFAOYSA-N 2 0 413.606 3.615 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000513326810 1004913586 /nfs/dbraw/zinc/91/35/86/1004913586.db2.gz XHTMEJGLHUXJHV-BWKNWUBXSA-N 2 0 407.602 3.786 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[NH+](C)C)cc1 ZINC000513382781 1004935797 /nfs/dbraw/zinc/93/57/97/1004935797.db2.gz GPAQNFKYISYTMV-JOCHJYFZSA-N 2 0 400.611 3.758 20 0 HHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OCCCc4ccccc4)c3)C2)CC1 ZINC000513448474 1004970990 /nfs/dbraw/zinc/97/09/90/1004970990.db2.gz SRFLFNMOWNYVNC-VWLOTQADSA-N 2 0 407.602 3.910 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448297 1004971114 /nfs/dbraw/zinc/97/11/14/1004971114.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 2 0 411.512 3.822 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000511038312 1004992287 /nfs/dbraw/zinc/99/22/87/1004992287.db2.gz PMUQHGNHBUBEBQ-NZQKXSOJSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000511038313 1004992375 /nfs/dbraw/zinc/99/23/75/1004992375.db2.gz PMUQHGNHBUBEBQ-OFNKIYASSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000511056546 1005000605 /nfs/dbraw/zinc/00/06/05/1005000605.db2.gz OLKXBQURJSQOGX-SFHVURJKSA-N 2 0 409.530 3.764 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511080248 1005010061 /nfs/dbraw/zinc/01/00/61/1005010061.db2.gz ICHFYRPECULOSG-SFHVURJKSA-N 2 0 411.512 3.874 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232036 1005083807 /nfs/dbraw/zinc/08/38/07/1005083807.db2.gz QXVSNUSIFXSHGA-FDFHNCONSA-N 2 0 404.643 3.793 20 0 HHADRP C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511233261 1005084635 /nfs/dbraw/zinc/08/46/35/1005084635.db2.gz LLPLTGWEMFRZLZ-WOJBJXKFSA-N 2 0 422.683 3.690 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000513696643 1005086126 /nfs/dbraw/zinc/08/61/26/1005086126.db2.gz BUUYGMRBAALVHG-RBZQAINGSA-N 2 0 423.557 3.789 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000513696644 1005086144 /nfs/dbraw/zinc/08/61/44/1005086144.db2.gz BUUYGMRBAALVHG-SMIHKQSGSA-N 2 0 423.557 3.789 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268879 1005099839 /nfs/dbraw/zinc/09/98/39/1005099839.db2.gz NCULMYUMXLEBPA-QUCCMNQESA-N 2 0 404.574 3.552 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000511268635 1005100005 /nfs/dbraw/zinc/10/00/05/1005100005.db2.gz SLSPSQNHZBUSFY-SFHVURJKSA-N 2 0 422.017 3.725 20 0 HHADRP CCC1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000513984681 1005213688 /nfs/dbraw/zinc/21/36/88/1005213688.db2.gz FZQOENNDCZVULM-UHFFFAOYSA-N 2 0 412.622 3.852 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CC2)CC1 ZINC000502833190 1005237571 /nfs/dbraw/zinc/23/75/71/1005237571.db2.gz SUDRODSITYQBMD-QURIUFGUSA-N 2 0 402.627 3.688 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000502835183 1005238363 /nfs/dbraw/zinc/23/83/63/1005238363.db2.gz YUBBBZFPSYHCON-UHFFFAOYSA-N 2 0 400.611 3.981 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000502862882 1005248667 /nfs/dbraw/zinc/24/86/67/1005248667.db2.gz OVEHRDHQFUIFKK-SFTDATJTSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000502875119 1005253712 /nfs/dbraw/zinc/25/37/12/1005253712.db2.gz KSFYYLGXQMADPH-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](C)CC1 ZINC000514094996 1005263098 /nfs/dbraw/zinc/26/30/98/1005263098.db2.gz PGXGSODEMWYUTI-SSUZURRFSA-N 3 0 412.666 3.539 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000511657679 1005264999 /nfs/dbraw/zinc/26/49/99/1005264999.db2.gz SBSFAXYPQGZVDR-UHFFFAOYSA-N 2 0 408.590 3.665 20 0 HHADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(Br)c1 ZINC000511666539 1005268438 /nfs/dbraw/zinc/26/84/38/1005268438.db2.gz VZQMJALYBAKCCE-UHFFFAOYSA-N 2 0 424.427 3.674 20 0 HHADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514154829 1005292144 /nfs/dbraw/zinc/29/21/44/1005292144.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 2 0 420.601 3.611 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000514191063 1005305548 /nfs/dbraw/zinc/30/55/48/1005305548.db2.gz VBCYDVIRWDEKOT-DEOSSOPVSA-N 2 0 424.589 3.509 20 0 HHADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)CC2)CCO1 ZINC000511754542 1005308309 /nfs/dbraw/zinc/30/83/09/1005308309.db2.gz PNALQVCYDJDDGP-OAQYLSRUSA-N 2 0 421.585 3.644 20 0 HHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000514243274 1005329658 /nfs/dbraw/zinc/32/96/58/1005329658.db2.gz QOKNESLSOFWUET-RUZDIDTESA-N 2 0 417.553 3.907 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000503094322 1005345966 /nfs/dbraw/zinc/34/59/66/1005345966.db2.gz OYNWLPDALFDQCB-DYESRHJHSA-N 2 0 400.542 3.857 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000503381790 1005403716 /nfs/dbraw/zinc/40/37/16/1005403716.db2.gz BHQDSTZPIBNKOV-UHFFFAOYSA-N 2 0 418.548 3.699 20 0 HHADRP C[N@H+](Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000503426200 1005416716 /nfs/dbraw/zinc/41/67/16/1005416716.db2.gz ZMTFSUMHHSMTGE-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503473390 1005431288 /nfs/dbraw/zinc/43/12/88/1005431288.db2.gz NWQUAAQIIYLLCH-ILBGXUMGSA-N 2 0 420.601 3.687 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000534058116 1006029595 /nfs/dbraw/zinc/02/95/95/1006029595.db2.gz PWJJPQHDFPLCCK-KSSFIOAISA-N 2 0 401.776 3.916 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccsc1 ZINC000531204794 1006045552 /nfs/dbraw/zinc/04/55/52/1006045552.db2.gz CUZNZHKKWBJKOB-NRFANRHFSA-N 2 0 400.592 3.867 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531317686 1006117765 /nfs/dbraw/zinc/11/77/65/1006117765.db2.gz HXARXOAUAGYIHJ-OAQYLSRUSA-N 2 0 402.970 3.894 20 0 HHADRP C[NH+]1CCN(C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167291 /nfs/dbraw/zinc/16/72/91/1006167291.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 2 0 418.629 3.760 20 0 HHADRP COc1ccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[NH+]2CCCC2)cc1 ZINC000531445327 1006201058 /nfs/dbraw/zinc/20/10/58/1006201058.db2.gz LVUWFWSGDOGDHW-DEOSSOPVSA-N 2 0 422.573 3.568 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534229515 1006228362 /nfs/dbraw/zinc/22/83/62/1006228362.db2.gz LYOWJIAYHBSBAP-OAQYLSRUSA-N 2 0 421.585 3.861 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)ccn1 ZINC000534239861 1006245316 /nfs/dbraw/zinc/24/53/16/1006245316.db2.gz DLEKAYHMGGAYCL-UHFFFAOYSA-N 2 0 408.329 3.894 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249470 1006257502 /nfs/dbraw/zinc/25/75/02/1006257502.db2.gz GOZOVGTZNYGPOW-FCHUYYIVSA-N 2 0 412.622 3.805 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249344 1006257586 /nfs/dbraw/zinc/25/75/86/1006257586.db2.gz CYKDAIBWZORHQB-WIYYLYMNSA-N 2 0 424.992 3.893 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000531540451 1006264880 /nfs/dbraw/zinc/26/48/80/1006264880.db2.gz OWPINEHBTHELJX-WIYYLYMNSA-N 2 0 407.002 3.754 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000534259567 1006269337 /nfs/dbraw/zinc/26/93/37/1006269337.db2.gz CIIKPFOAIAPFCN-FQEVSTJZSA-N 2 0 404.574 3.685 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282742 1006280261 /nfs/dbraw/zinc/28/02/61/1006280261.db2.gz CETKOOCQAIKMKT-HXUWFJFHSA-N 2 0 418.651 3.914 20 0 HHADRP CCC(CC)C(=O)N1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000531597778 1006296103 /nfs/dbraw/zinc/29/61/03/1006296103.db2.gz JNSJBXWSCPOLDZ-UHFFFAOYSA-N 2 0 414.638 3.734 20 0 HHADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735350 1006388230 /nfs/dbraw/zinc/38/82/30/1006388230.db2.gz FOSGAXYUYUSJON-FHWLQOOXSA-N 2 0 400.588 3.897 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000531738867 1006390391 /nfs/dbraw/zinc/39/03/91/1006390391.db2.gz CLNBIIAZQBAOGW-JRGCBEDISA-N 2 0 404.986 3.603 20 0 HHADRP CC(C)(C)[NH+]1CCCN(c2nc(N3CCC[N@@H+](C(C)(C)C)CC3)ncc2Cl)CC1 ZINC000531758547 1006402449 /nfs/dbraw/zinc/40/24/49/1006402449.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 2 0 423.049 3.751 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(Cn3ccnc3)c2)CC1 ZINC000531785515 1006425851 /nfs/dbraw/zinc/42/58/51/1006425851.db2.gz KJRMGNHVDPRZAV-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517466 1006510150 /nfs/dbraw/zinc/51/01/50/1006510150.db2.gz RNYWMPQJZXPYGM-RBUKOAKNSA-N 2 0 423.557 3.949 20 0 HHADRP O=C(CCSc1cccc(Cl)c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000515537073 1006521539 /nfs/dbraw/zinc/52/15/39/1006521539.db2.gz SHPHPRVQZJAQHT-UHFFFAOYSA-N 2 0 418.994 3.546 20 0 HHADRP CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955242 1006543635 /nfs/dbraw/zinc/54/36/35/1006543635.db2.gz MEHZNSCDFLLHEU-JOCHJYFZSA-N 2 0 422.573 3.793 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531959314 1006547235 /nfs/dbraw/zinc/54/72/35/1006547235.db2.gz PUMYQPJODMQHQJ-SFHVURJKSA-N 2 0 422.573 3.778 20 0 HHADRP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532046255 1006598544 /nfs/dbraw/zinc/59/85/44/1006598544.db2.gz MISVAZORGRWWNX-UHFFFAOYSA-N 2 0 402.542 3.799 20 0 HHADRP COc1ccc([C@@H]([NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388796 1006658225 /nfs/dbraw/zinc/65/82/25/1006658225.db2.gz CHZPQQKFNQBLDH-CLOONOSVSA-N 2 0 421.585 3.905 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000515803221 1006684043 /nfs/dbraw/zinc/68/40/43/1006684043.db2.gz UADJWYBSBQLCJN-UHFFFAOYSA-N 2 0 400.611 3.723 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000515825323 1006702672 /nfs/dbraw/zinc/70/26/72/1006702672.db2.gz OBQBLOWJGQGIDM-NHCUHLMSSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188574 1006707456 /nfs/dbraw/zinc/70/74/56/1006707456.db2.gz QRUNKYWQHHKFBO-WIYYLYMNSA-N 2 0 424.618 3.585 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000515841430 1006711343 /nfs/dbraw/zinc/71/13/43/1006711343.db2.gz WECGTAYLQKUJIT-NRFANRHFSA-N 2 0 404.599 3.960 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000515844657 1006713418 /nfs/dbraw/zinc/71/34/18/1006713418.db2.gz KDNYVBKHKQQAED-WOJBJXKFSA-N 2 0 406.590 3.657 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000515844978 1006714502 /nfs/dbraw/zinc/71/45/02/1006714502.db2.gz PWZWSOCXMGUDHE-UHFFFAOYSA-N 2 0 410.672 3.502 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000532221214 1006730810 /nfs/dbraw/zinc/73/08/10/1006730810.db2.gz ZYCRKUDAPAUOKE-HNNXBMFYSA-N 2 0 404.352 3.591 20 0 HHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269716 1006759494 /nfs/dbraw/zinc/75/94/94/1006759494.db2.gz SQQYAWFWZJGONC-PMACEKPBSA-N 2 0 422.495 3.749 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1nccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000532361546 1006820118 /nfs/dbraw/zinc/82/01/18/1006820118.db2.gz KEQDSYZHBOXWEG-UHFFFAOYSA-N 2 0 417.601 3.794 20 0 HHADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000532373483 1006830079 /nfs/dbraw/zinc/83/00/79/1006830079.db2.gz BGFYIMMODXVAHQ-UHFFFAOYSA-N 2 0 416.537 3.738 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000532373840 1006830089 /nfs/dbraw/zinc/83/00/89/1006830089.db2.gz NAYKQPPBZRTFQS-UHFFFAOYSA-N 2 0 415.965 3.917 20 0 HHADRP COc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c2ccccc12 ZINC000538587345 1006853416 /nfs/dbraw/zinc/85/34/16/1006853416.db2.gz RBXRCKLGUNLFIO-CYFREDJKSA-N 2 0 419.569 3.788 20 0 HHADRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(-c2ccncc2)n1 ZINC000538725507 1007003565 /nfs/dbraw/zinc/00/35/65/1007003565.db2.gz ZOKSNOODDKPFEQ-UHFFFAOYSA-N 2 0 401.558 3.970 20 0 HHADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000538724940 1007003735 /nfs/dbraw/zinc/00/37/35/1007003735.db2.gz KGFIMBUEYZSVHF-LJQANCHMSA-N 2 0 418.626 3.928 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963745 1007014646 /nfs/dbraw/zinc/01/46/46/1007014646.db2.gz KDXPWBFUWBKPEX-FQEVSTJZSA-N 2 0 409.549 3.819 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534986271 1007044842 /nfs/dbraw/zinc/04/48/42/1007044842.db2.gz GWVDAQOGOBILMK-LVCYWYKZSA-N 2 0 422.976 3.742 20 0 HHADRP CCOc1c(OC)cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000538763140 1007048835 /nfs/dbraw/zinc/04/88/35/1007048835.db2.gz IJUSCQSDRPPOCH-OALUTQOASA-N 2 0 420.594 3.814 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@]3([NH+](C)C)CCSC3)c2)CC1 ZINC000538772552 1007055601 /nfs/dbraw/zinc/05/56/01/1007055601.db2.gz CKGRJBSMMZRXAD-JOCHJYFZSA-N 2 0 404.624 3.520 20 0 HHADRP Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000532708581 1007122092 /nfs/dbraw/zinc/12/20/92/1007122092.db2.gz GFYFHPJLQMWGHF-QFIPXVFZSA-N 2 0 412.603 3.864 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000538852849 1007127041 /nfs/dbraw/zinc/12/70/41/1007127041.db2.gz GKLNYNCUVOXNFB-NRFANRHFSA-N 2 0 415.607 3.694 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582066 1007167134 /nfs/dbraw/zinc/16/71/34/1007167134.db2.gz PTRYXUHOJWHKKO-XXBNENTESA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c1 ZINC000532765700 1007170531 /nfs/dbraw/zinc/17/05/31/1007170531.db2.gz RKXFBEKRBWNXNG-RTWAWAEBSA-N 2 0 405.542 3.835 20 0 HHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3OCC(=O)NCC3CC3)CC2)CC1 ZINC000532784305 1007180814 /nfs/dbraw/zinc/18/08/14/1007180814.db2.gz LECNJFHTDLNCAM-UHFFFAOYSA-N 2 0 413.606 3.724 20 0 HHADRP CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813326 1007198483 /nfs/dbraw/zinc/19/84/83/1007198483.db2.gz CRTDCBUGZLYLIS-UNMCSNQZSA-N 2 0 400.611 3.660 20 0 HHADRP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1Br ZINC000532865830 1007253015 /nfs/dbraw/zinc/25/30/15/1007253015.db2.gz GAPJTEXHWSKCPE-UHFFFAOYSA-N 2 0 419.367 3.995 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532879446 1007263817 /nfs/dbraw/zinc/26/38/17/1007263817.db2.gz ISUYBGXKCWBBMG-HXUWFJFHSA-N 2 0 400.954 3.799 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000516765781 1007280056 /nfs/dbraw/zinc/28/00/56/1007280056.db2.gz QNJQKUUXHFLGTM-IRLDBZIGSA-N 2 0 413.537 3.974 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000532927223 1007299283 /nfs/dbraw/zinc/29/92/83/1007299283.db2.gz YYFJIEDCEBFMHL-RUZDIDTESA-N 2 0 405.586 3.824 20 0 HHADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042244 1007339840 /nfs/dbraw/zinc/33/98/40/1007339840.db2.gz WWVRGNZAWOHYLZ-FDDCHVKYSA-N 2 0 415.603 3.563 20 0 HHADRP O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532973914 1007343731 /nfs/dbraw/zinc/34/37/31/1007343731.db2.gz HAHGBYSXZFNRAD-QFIPXVFZSA-N 2 0 409.599 3.739 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539060412 1007353920 /nfs/dbraw/zinc/35/39/20/1007353920.db2.gz SFGQSVOVFMBBGV-OFAXGOBFSA-N 2 0 416.610 3.979 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061907 1007354621 /nfs/dbraw/zinc/35/46/21/1007354621.db2.gz PNULEWGOENUYLY-VSUDMRMVSA-N 2 0 417.500 3.528 20 0 HHADRP C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539065156 1007357328 /nfs/dbraw/zinc/35/73/28/1007357328.db2.gz LCNHHTUFKNIMSE-FOIQADDNSA-N 2 0 407.352 3.774 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)CC(C)C ZINC000539100364 1007389255 /nfs/dbraw/zinc/38/92/55/1007389255.db2.gz VGNCLNDPKWRMFQ-IBGZPJMESA-N 2 0 405.549 3.867 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338822 1007390155 /nfs/dbraw/zinc/39/01/55/1007390155.db2.gz DKRNSFOGQFAEBU-RPWUZVMVSA-N 2 0 406.574 3.917 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535341886 1007395670 /nfs/dbraw/zinc/39/56/70/1007395670.db2.gz XMJFVLMSQSXGQZ-BJKOFHAPSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000533048075 1007409898 /nfs/dbraw/zinc/40/98/98/1007409898.db2.gz QUDKACVFSGZSQX-HYBUGGRVSA-N 2 0 406.574 3.778 20 0 HHADRP CC1(C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000517114325 1007428080 /nfs/dbraw/zinc/42/80/80/1007428080.db2.gz IPRKCMASBRVQJP-UHFFFAOYSA-N 2 0 420.601 3.957 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226231 1007512249 /nfs/dbraw/zinc/51/22/49/1007512249.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 2 0 406.618 3.790 20 0 HHADRP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(C[NH+]5CCCC5)CC4)nc(N)c23)C1 ZINC000533243738 1007563529 /nfs/dbraw/zinc/56/35/29/1007563529.db2.gz KWGFQNLGBQYHHH-MRXNPFEDSA-N 2 0 413.635 3.749 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000539307491 1007605405 /nfs/dbraw/zinc/60/54/05/1007605405.db2.gz ZSTYWYAOTBEQFM-LIRRHRJNSA-N 2 0 412.441 3.848 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000535673456 1007694455 /nfs/dbraw/zinc/69/44/55/1007694455.db2.gz ZAFXAWVWZQGOGR-UTKZUKDTSA-N 2 0 418.582 3.831 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)[C@H](C)C1 ZINC000539395520 1007702314 /nfs/dbraw/zinc/70/23/14/1007702314.db2.gz PPKBKGSKZDZQQH-PUHATCMVSA-N 2 0 415.622 3.701 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000535687989 1007720894 /nfs/dbraw/zinc/72/08/94/1007720894.db2.gz KQJQRCXNQSSNOK-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699301 1007735529 /nfs/dbraw/zinc/73/55/29/1007735529.db2.gz IBIRPNJTUPBRBL-UWJYYQICSA-N 2 0 424.992 3.988 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000517523061 1007741684 /nfs/dbraw/zinc/74/16/84/1007741684.db2.gz PKSDHKPCHNGUJI-RBBKRZOGSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535704457 1007743120 /nfs/dbraw/zinc/74/31/20/1007743120.db2.gz IFVGQTIAGAVJHP-UHFFFAOYSA-N 2 0 420.601 3.946 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000535705512 1007745105 /nfs/dbraw/zinc/74/51/05/1007745105.db2.gz SBQVWTBKWDFHOM-FCHUYYIVSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542303 1007758288 /nfs/dbraw/zinc/75/82/88/1007758288.db2.gz OVSCAYMHELSDIT-PXDATVDWSA-N 2 0 420.601 3.828 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000517636939 1007846003 /nfs/dbraw/zinc/84/60/03/1007846003.db2.gz CESUFMHTBYIQFI-JBRSBNLGSA-N 2 0 424.633 3.947 20 0 HHADRP COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000517728034 1007934122 /nfs/dbraw/zinc/93/41/22/1007934122.db2.gz FSCONJUKENJUFU-ZCYQVOJMSA-N 2 0 421.585 3.861 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC3CCN(c4ccc(F)cc4F)CC3)nc2)CC1 ZINC000539688271 1008008407 /nfs/dbraw/zinc/00/84/07/1008008407.db2.gz RWKHTXSPPIVUJY-UHFFFAOYSA-N 2 0 415.532 3.971 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)C2)CC1 ZINC000535970751 1008009484 /nfs/dbraw/zinc/00/94/84/1008009484.db2.gz ZSRWQZMBVLJCEZ-UGKGYDQZSA-N 2 0 419.013 3.850 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000539690436 1008009759 /nfs/dbraw/zinc/00/97/59/1008009759.db2.gz QEQDGUGQCYXXQU-XBJMDHIQSA-N 2 0 403.611 3.845 20 0 HHADRP c1ccc(C[NH+]2CCC(Nc3ccc4[nH]c(CCN5CCOCC5)[nH+]c4c3)CC2)cc1 ZINC000539710701 1008027751 /nfs/dbraw/zinc/02/77/51/1008027751.db2.gz YEQKQRBLTVDFEK-UHFFFAOYSA-N 2 0 419.573 3.514 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000536002229 1008046238 /nfs/dbraw/zinc/04/62/38/1008046238.db2.gz IGHGYMRCVSAOPG-QHCPKHFHSA-N 2 0 406.574 3.805 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000533722332 1008049315 /nfs/dbraw/zinc/04/93/15/1008049315.db2.gz ZAYGFGILYFSTLM-XMMPIXPASA-N 2 0 412.622 3.792 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000517912314 1008053359 /nfs/dbraw/zinc/05/33/59/1008053359.db2.gz YTXLTSAKVHLNFI-REWPJTCUSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015548 1008055803 /nfs/dbraw/zinc/05/58/03/1008055803.db2.gz WKKQHUXVTNVWEY-VWLOTQADSA-N 2 0 422.617 3.713 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC000533732174 1008058922 /nfs/dbraw/zinc/05/89/22/1008058922.db2.gz OVUNKKAVRBTBAM-KWDCZQRMSA-N 2 0 410.606 3.555 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518015918 1008104958 /nfs/dbraw/zinc/10/49/58/1008104958.db2.gz YQJQZAQOPNNGFS-TZIWHRDSSA-N 2 0 404.986 3.793 20 0 HHADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC000539832073 1008124978 /nfs/dbraw/zinc/12/49/78/1008124978.db2.gz LZKYRQKPUWSHGQ-UHFFFAOYSA-N 2 0 419.573 3.648 20 0 HHADRP CSc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000539835424 1008128609 /nfs/dbraw/zinc/12/86/09/1008128609.db2.gz ILTGPBFRCUNXTR-UHFFFAOYSA-N 2 0 411.615 3.869 20 0 HHADRP COC(=O)CCn1nc(C)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000539861397 1008146778 /nfs/dbraw/zinc/14/67/78/1008146778.db2.gz OKNNYTSIGQPFDW-UHFFFAOYSA-N 2 0 424.589 3.551 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000539955895 1008204704 /nfs/dbraw/zinc/20/47/04/1008204704.db2.gz OWSAVVXNNPAXKO-DEOSSOPVSA-N 2 0 423.605 3.941 20 0 HHADRP Cc1sc([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)nc1-c1ccc(Cl)cc1 ZINC000518221629 1008210600 /nfs/dbraw/zinc/21/06/00/1008210600.db2.gz IMCQVRCCPFYNAB-CQSZACIVSA-N 2 0 406.983 3.587 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3sc(CCOC)nc3C)cc2)CC1 ZINC000539967479 1008211817 /nfs/dbraw/zinc/21/18/17/1008211817.db2.gz HAOOLGBRAXNWFI-GOSISDBHSA-N 2 0 416.635 3.629 20 0 HHADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045418 1008254780 /nfs/dbraw/zinc/25/47/80/1008254780.db2.gz NNUFIFBMUKVVHQ-IBGZPJMESA-N 2 0 412.553 3.979 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045475 1008254847 /nfs/dbraw/zinc/25/48/47/1008254847.db2.gz PAOPDFVUXPZNSB-VQTJNVASSA-N 2 0 406.574 3.986 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)CC1CC1 ZINC000540049738 1008258890 /nfs/dbraw/zinc/25/88/90/1008258890.db2.gz SMHQKJFQHJNHON-IBGZPJMESA-N 2 0 403.533 3.621 20 0 HHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170656 1008320546 /nfs/dbraw/zinc/32/05/46/1008320546.db2.gz ITAXYVCEYPTCBY-XHSDSOJGSA-N 2 0 416.347 3.831 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1OC(F)(F)F ZINC000540171382 1008321074 /nfs/dbraw/zinc/32/10/74/1008321074.db2.gz VKHAQMIEJAYSLK-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520023 1008335540 /nfs/dbraw/zinc/33/55/40/1008335540.db2.gz QDBTWKCVMRRFFE-UYAOXDASSA-N 2 0 404.624 3.837 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612971 1008365630 /nfs/dbraw/zinc/36/56/30/1008365630.db2.gz OBEPLZXDIOUAAE-PMACEKPBSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540302823 1008373369 /nfs/dbraw/zinc/37/33/69/1008373369.db2.gz UKTKUSSPOMULFV-GOSISDBHSA-N 2 0 401.576 3.561 20 0 HHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540327940 1008381683 /nfs/dbraw/zinc/38/16/83/1008381683.db2.gz YNVFZUHEVAFWLJ-MIZPHKNDSA-N 2 0 409.574 3.904 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCN(c4ccccn4)CC3)cc2)C[C@H]1C ZINC000540394832 1008415082 /nfs/dbraw/zinc/41/50/82/1008415082.db2.gz ABPAMISPWSFWQA-SZPZYZBQSA-N 2 0 422.617 3.849 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)c2ccccc2)CC1 ZINC000518809685 1008427614 /nfs/dbraw/zinc/42/76/14/1008427614.db2.gz FFVMEHCPCQHFER-HSZRJFAPSA-N 2 0 409.574 3.830 20 0 HHADRP CC(C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)c(F)c1 ZINC000540435889 1008433046 /nfs/dbraw/zinc/43/30/46/1008433046.db2.gz CWSLOFRKKJAWBY-UHFFFAOYSA-N 2 0 419.541 3.977 20 0 HHADRP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000518827911 1008436333 /nfs/dbraw/zinc/43/63/33/1008436333.db2.gz WVMJMDCKBOQCEW-UHFFFAOYSA-N 2 0 412.622 3.647 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H](NCC1([NH+]3CCCCC3)CCOCC1)c1ccccc1O2 ZINC000540494734 1008454690 /nfs/dbraw/zinc/45/46/90/1008454690.db2.gz JBWQAZOAOFDYFG-QFIPXVFZSA-N 2 0 413.606 3.599 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000540504662 1008458689 /nfs/dbraw/zinc/45/86/89/1008458689.db2.gz FOBFKBFFYHPYBM-QZTJIDSGSA-N 2 0 402.608 3.860 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[NH+](C)C)cc1 ZINC000518973915 1008492378 /nfs/dbraw/zinc/49/23/78/1008492378.db2.gz MEMCTHCOKLTBNX-DEOSSOPVSA-N 2 0 424.589 3.572 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[NH+](C)C)cc1 ZINC000518973920 1008492387 /nfs/dbraw/zinc/49/23/87/1008492387.db2.gz MEMCTHCOKLTBNX-XMMPIXPASA-N 2 0 424.589 3.572 20 0 HHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000519007038 1008499514 /nfs/dbraw/zinc/49/95/14/1008499514.db2.gz CGWZKXKTNJDTNB-ZDUSSCGKSA-N 2 0 408.395 3.558 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000519014451 1008501706 /nfs/dbraw/zinc/50/17/06/1008501706.db2.gz MTHMXOLQZKQRKS-QFIPXVFZSA-N 2 0 412.553 3.565 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000519171543 1008575557 /nfs/dbraw/zinc/57/55/57/1008575557.db2.gz OREXBDUPDQMSFT-WIYYLYMNSA-N 2 0 404.986 3.747 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000519224970 1008630859 /nfs/dbraw/zinc/63/08/59/1008630859.db2.gz GNVMBVAXHSTWMS-GOSISDBHSA-N 2 0 403.567 3.619 20 0 HHADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000545593073 1008693205 /nfs/dbraw/zinc/69/32/05/1008693205.db2.gz GYINRRGNTSAKEX-GCJKJVERSA-N 2 0 400.538 3.759 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000519293793 1008704966 /nfs/dbraw/zinc/70/49/66/1008704966.db2.gz QFYJXHKPWSOAID-IBGZPJMESA-N 2 0 407.002 3.583 20 0 HHADRP CCOC(=O)c1ccccc1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164004 1008735967 /nfs/dbraw/zinc/73/59/67/1008735967.db2.gz CEHJFLYZCHAWSF-JOCHJYFZSA-N 2 0 423.557 3.692 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362096 1008760277 /nfs/dbraw/zinc/76/02/77/1008760277.db2.gz PNPGOACTNVJJEC-QHCPKHFHSA-N 2 0 409.549 3.950 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000543235694 1008803515 /nfs/dbraw/zinc/80/35/15/1008803515.db2.gz WVDRMBFDGRTSLR-GOSISDBHSA-N 2 0 418.545 3.683 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1)C1CC1 ZINC000545785429 1008872914 /nfs/dbraw/zinc/87/29/14/1008872914.db2.gz NBNPIISVNZTDLU-UHFFFAOYSA-N 2 0 407.518 3.723 20 0 HHADRP Fc1ccc([C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402285 1008994370 /nfs/dbraw/zinc/99/43/70/1008994370.db2.gz FVTOFIUSCGOBJY-XMMPIXPASA-N 2 0 405.521 3.507 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460036 1009046011 /nfs/dbraw/zinc/04/60/11/1009046011.db2.gz GHVSZNLYWPTAIO-HDMKZQKVSA-N 2 0 401.378 3.976 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000519935699 1009090115 /nfs/dbraw/zinc/09/01/15/1009090115.db2.gz GYAVUYQFIOKNMB-QHCPKHFHSA-N 2 0 400.611 3.895 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000543775792 1009344827 /nfs/dbraw/zinc/34/48/27/1009344827.db2.gz UQUWQCOJDRTOCN-UZLBHIALSA-N 2 0 419.338 3.932 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000520299837 1009425283 /nfs/dbraw/zinc/42/52/83/1009425283.db2.gz WUAPGXQDCGXHQA-QHCPKHFHSA-N 2 0 400.611 3.894 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000543993217 1009592093 /nfs/dbraw/zinc/59/20/93/1009592093.db2.gz WGSBURPUYUVNPJ-JQFCIGGWSA-N 2 0 409.596 3.721 20 0 HHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000544000971 1009601959 /nfs/dbraw/zinc/60/19/59/1009601959.db2.gz IAOMFCMVSLTABQ-HNNXBMFYSA-N 2 0 421.467 3.681 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000544002507 1009602912 /nfs/dbraw/zinc/60/29/12/1009602912.db2.gz TWEDBQPKYAWVJQ-KRWDZBQOSA-N 2 0 403.567 3.665 20 0 HHADRP CC(C)N1C(=O)C[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544014783 1009615985 /nfs/dbraw/zinc/61/59/85/1009615985.db2.gz NOULMCWEWUFWQN-IFMALSPDSA-N 2 0 407.961 3.994 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000546619495 1009631968 /nfs/dbraw/zinc/63/19/68/1009631968.db2.gz WVGMEXNPRCAGIO-KSZLIROESA-N 2 0 407.986 3.561 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000550354029 1009881381 /nfs/dbraw/zinc/88/13/81/1009881381.db2.gz UNPQTDLFMDRRDG-FDFHNCONSA-N 2 0 423.601 3.811 20 0 HHADRP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](C4CCCC4)CC3)nc12 ZINC000546933034 1009892378 /nfs/dbraw/zinc/89/23/78/1009892378.db2.gz YADRLLQVZGMYDT-UHFFFAOYSA-N 2 0 405.384 3.944 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544332674 1009956137 /nfs/dbraw/zinc/95/61/37/1009956137.db2.gz VOZDRYUSBPYBRT-GMKZXUHWSA-N 2 0 412.622 3.947 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521071105 1010088422 /nfs/dbraw/zinc/08/84/22/1010088422.db2.gz MMRZWTGENKLUPK-OAQYLSRUSA-N 2 0 410.553 3.549 20 0 HHADRP CCOC(=O)C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881851 1010238898 /nfs/dbraw/zinc/23/88/98/1010238898.db2.gz DVAGPJDJKCQXBU-KOENEWCDSA-N 2 0 414.590 3.627 20 0 HHADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000550881970 1010239058 /nfs/dbraw/zinc/23/90/58/1010239058.db2.gz FTWLTMXBFYRXRV-GOSISDBHSA-N 2 0 402.004 3.555 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000550884940 1010241029 /nfs/dbraw/zinc/24/10/29/1010241029.db2.gz DXRWCGLMDGURNV-MRXNPFEDSA-N 2 0 406.368 3.631 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544621904 1010245390 /nfs/dbraw/zinc/24/53/90/1010245390.db2.gz LXKCDVBVYKRRJZ-UTKZUKDTSA-N 2 0 407.002 3.849 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544818818 1010411350 /nfs/dbraw/zinc/41/13/50/1010411350.db2.gz YBJCKCRTADDWOO-JOCHJYFZSA-N 2 0 400.611 3.662 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544828266 1010419303 /nfs/dbraw/zinc/41/93/03/1010419303.db2.gz PAVOROWVFDBCLA-WMZHIEFXSA-N 2 0 400.998 3.882 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826502 1010440048 /nfs/dbraw/zinc/44/00/48/1010440048.db2.gz PFDDECHHUFKVDB-GVXSCFBNSA-N 2 0 405.586 3.720 20 0 HHADRP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827423 1010441188 /nfs/dbraw/zinc/44/11/88/1010441188.db2.gz PNYDWLULYYUMEQ-DNJQPREOSA-N 2 0 415.647 3.621 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827841 1010441204 /nfs/dbraw/zinc/44/12/04/1010441204.db2.gz IKFIANIAKSHWSE-CUWPLCDZSA-N 2 0 422.491 3.945 20 0 HHADRP O=C1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264823 1010481119 /nfs/dbraw/zinc/48/11/19/1010481119.db2.gz OGUGNBLALAWFON-FYYLOGMGSA-N 2 0 419.569 3.978 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481140 /nfs/dbraw/zinc/48/11/40/1010481140.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 2 0 409.549 3.989 20 0 HHADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521648422 1010523135 /nfs/dbraw/zinc/52/31/35/1010523135.db2.gz YRDZOSISPLOWJO-UHFFFAOYSA-N 2 0 407.002 3.535 20 0 HHADRP C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)cc1 ZINC000544972330 1010529544 /nfs/dbraw/zinc/52/95/44/1010529544.db2.gz ZLZVQAPPWPSPAB-UHFFFAOYSA-N 2 0 424.570 3.893 20 0 HHADRP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000548154456 1010547007 /nfs/dbraw/zinc/54/70/07/1010547007.db2.gz FNBPUSWBAMQLKY-OYDLWJJNSA-N 2 0 423.601 3.778 20 0 HHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155512 1010547922 /nfs/dbraw/zinc/54/79/22/1010547922.db2.gz XHBFWGWEKMYYMM-SXWKCWPCSA-N 2 0 421.585 3.905 20 0 HHADRP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521690361 1010553776 /nfs/dbraw/zinc/55/37/76/1010553776.db2.gz NIVGVCRJKYOVBJ-CTNGQTDRSA-N 2 0 409.496 3.528 20 0 HHADRP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000521690379 1010553930 /nfs/dbraw/zinc/55/39/30/1010553930.db2.gz NIVGVCRJKYOVBJ-PZJWPPBQSA-N 2 0 409.496 3.528 20 0 HHADRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483054 1010641918 /nfs/dbraw/zinc/64/19/18/1010641918.db2.gz QWSHSUZUJOENSG-IRLDBZIGSA-N 2 0 407.606 3.935 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(-n2ccnn2)c1 ZINC000521848922 1010658013 /nfs/dbraw/zinc/65/80/13/1010658013.db2.gz BAYUBJBPBUHAIA-HSALFYBXSA-N 2 0 405.546 3.727 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)CC3 ZINC000545189512 1010678381 /nfs/dbraw/zinc/67/83/81/1010678381.db2.gz WHPPTMFOIDDXLT-HXUWFJFHSA-N 2 0 419.569 3.780 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548773959 1010727497 /nfs/dbraw/zinc/72/74/97/1010727497.db2.gz CHJOINPLCKEZMH-OKJKUSBXSA-N 2 0 408.586 3.942 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522293649 1010911316 /nfs/dbraw/zinc/91/13/16/1010911316.db2.gz HVZWAAQCYPTIOJ-QFIPXVFZSA-N 2 0 412.553 3.564 20 0 HHADRP CC[C@H](CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000522396113 1010979288 /nfs/dbraw/zinc/97/92/88/1010979288.db2.gz OMNNWNHWQSECKT-JOCHJYFZSA-N 2 0 412.553 3.523 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000522598262 1011101687 /nfs/dbraw/zinc/10/16/87/1011101687.db2.gz VIMYBFNXICMQCX-FQEVSTJZSA-N 2 0 400.611 3.975 20 0 HHADRP C[NH+](C)CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000522610386 1011110727 /nfs/dbraw/zinc/11/07/27/1011110727.db2.gz COWLIFKZNAWUEQ-HXUWFJFHSA-N 2 0 409.018 3.970 20 0 HHADRP CC[C@H](C)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522663483 1011146274 /nfs/dbraw/zinc/14/62/74/1011146274.db2.gz MCVTUFFYSBLGMR-NRFANRHFSA-N 2 0 409.578 3.604 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000540594851 1011251172 /nfs/dbraw/zinc/25/11/72/1011251172.db2.gz GQULEZZFFCVURQ-SXLOBPIMSA-N 2 0 411.512 3.750 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000540613245 1011264919 /nfs/dbraw/zinc/26/49/19/1011264919.db2.gz IKMAEAYIDLRARX-UHFFFAOYSA-N 2 0 404.986 3.527 20 0 HHADRP Cc1cccn2cc(COc3ccc(C[NH2+]CC4(O)CC[NH+](C(C)C)CC4)cc3)nc12 ZINC000540613968 1011266096 /nfs/dbraw/zinc/26/60/96/1011266096.db2.gz TYEGLRXTSIBONI-UHFFFAOYSA-N 2 0 422.573 3.547 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155713 1011280426 /nfs/dbraw/zinc/28/04/26/1011280426.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 2 0 406.574 3.784 20 0 HHADRP C[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)CN1CC[NH+](C)CC1 ZINC000536302352 1011490985 /nfs/dbraw/zinc/49/09/85/1011490985.db2.gz LMIJSCFIFDZEHK-ACJLOTCBSA-N 2 0 400.792 3.563 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OC ZINC000536308358 1011501074 /nfs/dbraw/zinc/50/10/74/1011501074.db2.gz HTZPIRWAAPRPHK-PMOQBDJRSA-N 2 0 402.579 3.853 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1)C1CCOCC1 ZINC000536308130 1011501523 /nfs/dbraw/zinc/50/15/23/1011501523.db2.gz ZRQBOJWSWARVHL-SMIHKQSGSA-N 2 0 414.590 3.614 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000540914111 1011582647 /nfs/dbraw/zinc/58/26/47/1011582647.db2.gz SOYWJLKUEYBTFN-RLWLMLJZSA-N 2 0 402.586 3.912 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536494036 1011702578 /nfs/dbraw/zinc/70/25/78/1011702578.db2.gz VNBNORYOLQTBJO-MBOZVWFJSA-N 2 0 410.965 3.598 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)CC1 ZINC000523338334 1011815686 /nfs/dbraw/zinc/81/56/86/1011815686.db2.gz ZOQFXCYSXWCSRM-UHFFFAOYSA-N 2 0 420.601 3.743 20 0 HHADRP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536708129 1011879442 /nfs/dbraw/zinc/87/94/42/1011879442.db2.gz OVOATJRZVGKSKM-UHFFFAOYSA-N 2 0 414.516 3.667 20 0 HHADRP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536729003 1011901023 /nfs/dbraw/zinc/90/10/23/1011901023.db2.gz BNFHSSPORTYYHD-FQEVSTJZSA-N 2 0 406.574 3.988 20 0 HHADRP Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c(OCC[NH+](C)C)c1 ZINC000523445349 1011940512 /nfs/dbraw/zinc/94/05/12/1011940512.db2.gz GOCILRCUWFIOHE-UHFFFAOYSA-N 2 0 410.562 3.853 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000541261751 1011948356 /nfs/dbraw/zinc/94/83/56/1011948356.db2.gz MMPSTZUPSRVYPL-UHFFFAOYSA-N 2 0 421.585 3.503 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc4cc(C)nn4c3C)CC2)cc1 ZINC000536772277 1011976951 /nfs/dbraw/zinc/97/69/51/1011976951.db2.gz PZTSOJRDXCCYCO-SFHVURJKSA-N 2 0 407.562 3.918 20 0 HHADRP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000523470795 1011979378 /nfs/dbraw/zinc/97/93/78/1011979378.db2.gz OVXXHIIJUDHDGT-GGAORHGYSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472957 1011982761 /nfs/dbraw/zinc/98/27/61/1011982761.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 2 0 408.590 3.813 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000552032743 1012057773 /nfs/dbraw/zinc/05/77/73/1012057773.db2.gz MOTBJKKJDGWRNU-KKUQBAQOSA-N 3 0 412.666 3.685 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000536828895 1012058319 /nfs/dbraw/zinc/05/83/19/1012058319.db2.gz SOAZDKYLLOCDQP-DYXWJJEUSA-N 2 0 415.603 3.546 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000536860486 1012093984 /nfs/dbraw/zinc/09/39/84/1012093984.db2.gz ZYMHUYPLOAPBAH-QGZVFWFLSA-N 2 0 417.500 3.964 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1F ZINC000552404952 1012419001 /nfs/dbraw/zinc/41/90/01/1012419001.db2.gz SBWHTBCUKAJLIV-FQEVSTJZSA-N 2 0 419.491 3.661 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522744 1012541827 /nfs/dbraw/zinc/54/18/27/1012541827.db2.gz CTKYBQMLXTVIFI-FQEVSTJZSA-N 2 0 408.594 3.592 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000552556655 1012569215 /nfs/dbraw/zinc/56/92/15/1012569215.db2.gz FDFUVWXTHQUARR-OAHLLOKOSA-N 2 0 405.464 3.780 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1OC ZINC000541745133 1012602560 /nfs/dbraw/zinc/60/25/60/1012602560.db2.gz WTVRVYLEBDFIPS-SFHVURJKSA-N 2 0 420.598 3.610 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904464 1012617834 /nfs/dbraw/zinc/61/78/34/1012617834.db2.gz VSQLBDAVTQBDLF-DVJXIFHOSA-N 2 0 406.574 3.957 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000523905350 1012619648 /nfs/dbraw/zinc/61/96/48/1012619648.db2.gz OOTKABPDPUYZPW-KIFXHHALSA-N 2 0 415.626 3.588 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)c1ccco1 ZINC000523937545 1012670068 /nfs/dbraw/zinc/67/00/68/1012670068.db2.gz UEYDAWCXQBLVNB-OALUTQOASA-N 2 0 402.539 3.700 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000541917956 1012776294 /nfs/dbraw/zinc/77/62/94/1012776294.db2.gz IWYPUPGLARFMNX-QGUKFAFCSA-N 3 0 407.602 3.644 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900006 1012900714 /nfs/dbraw/zinc/90/07/14/1012900714.db2.gz YBKVRDISSNJHFG-HSALFYBXSA-N 2 0 422.635 3.943 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000524134854 1012920357 /nfs/dbraw/zinc/92/03/57/1012920357.db2.gz YVOAJYTXNDYSQB-LJQANCHMSA-N 2 0 404.624 3.620 20 0 HHADRP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000524155912 1012946861 /nfs/dbraw/zinc/94/68/61/1012946861.db2.gz QCAQRYRDTVRKKB-FQEVSTJZSA-N 2 0 409.574 3.544 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001168271203 1072022129 /nfs/dbraw/zinc/02/21/29/1072022129.db2.gz GMDHWWUUQGIMDC-RMTZWNOUSA-N 2 0 410.602 3.623 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272054 1072058580 /nfs/dbraw/zinc/05/85/80/1072058580.db2.gz KBHSHFOUPLSSLC-RPWUZVMVSA-N 2 0 406.570 3.918 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000611648363 1072145193 /nfs/dbraw/zinc/14/51/93/1072145193.db2.gz LLLILGZZRBBIGL-LJQANCHMSA-N 2 0 421.010 3.922 20 0 HHADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1)CC1CC1 ZINC000536738831 1072194590 /nfs/dbraw/zinc/19/45/90/1072194590.db2.gz UHJLUXMPYHSXDS-HSZRJFAPSA-N 2 0 412.622 3.848 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 ZINC001168290235 1072446986 /nfs/dbraw/zinc/44/69/86/1072446986.db2.gz GIBTZWBCTXMCJN-MHJFOBGBSA-N 2 0 409.615 3.645 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000586865160 1072487181 /nfs/dbraw/zinc/48/71/81/1072487181.db2.gz ARMIDVVIMXSQSH-UHFFFAOYSA-N 2 0 412.622 3.852 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000586865211 1072487793 /nfs/dbraw/zinc/48/77/93/1072487793.db2.gz HKEQHNPTDCHQIF-XMMPIXPASA-N 2 0 408.590 3.809 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941420 1072504462 /nfs/dbraw/zinc/50/44/62/1072504462.db2.gz GHVOQJVYPBCSFE-DHIUTWEWSA-N 2 0 424.589 3.936 20 0 HHADRP C[NH+](C)C1CCC([N@H+](Cc2ccncc2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168329904 1072509430 /nfs/dbraw/zinc/50/94/30/1072509430.db2.gz KLJAODCHDVVXRC-CBNMVNINSA-N 2 0 402.583 3.766 20 0 HHADRP CNC(=O)N[C@H]1CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccc(C)cc21 ZINC001168377944 1072531926 /nfs/dbraw/zinc/53/19/26/1072531926.db2.gz OLNNEWCJRXROCK-QHCPKHFHSA-N 2 0 410.606 3.577 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024713 1073113983 /nfs/dbraw/zinc/11/39/83/1073113983.db2.gz VXXCRHMUBXCMST-JOCHJYFZSA-N 2 0 418.589 3.516 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000588708727 1073154443 /nfs/dbraw/zinc/15/44/43/1073154443.db2.gz DEKHBPPFQCZHQL-OYRHEFFESA-N 2 0 415.622 3.635 20 0 HHADRP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711951 1073157636 /nfs/dbraw/zinc/15/76/36/1073157636.db2.gz VPUJHAALLHAUTR-JSXRDJHFSA-N 2 0 415.622 3.636 20 0 HHADRP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000555211703 1073265230 /nfs/dbraw/zinc/26/52/30/1073265230.db2.gz OVOWAIAMNZGBOK-CCDWMCETSA-N 2 0 418.585 3.534 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060568 1073535322 /nfs/dbraw/zinc/53/53/22/1073535322.db2.gz RRKGXVUEQVTADZ-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP O=C(C[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000555612305 1073674662 /nfs/dbraw/zinc/67/46/62/1073674662.db2.gz VIDJRHWTWASWJP-OAQYLSRUSA-N 2 0 403.998 3.870 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000555821013 1073860757 /nfs/dbraw/zinc/86/07/57/1073860757.db2.gz GLFJJMLQLYEBFD-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000590926738 1074039567 /nfs/dbraw/zinc/03/95/67/1074039567.db2.gz OQIPEEKFDZPYPF-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)n[nH]1 ZINC000590929118 1074040325 /nfs/dbraw/zinc/04/03/25/1074040325.db2.gz SYVKQYURDAZAGE-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001126962616 1074153670 /nfs/dbraw/zinc/15/36/70/1074153670.db2.gz ZNVNNVISDBZYJK-PEARBKPGSA-N 2 0 405.586 3.781 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591448987 1074303783 /nfs/dbraw/zinc/30/37/83/1074303783.db2.gz CLWSWVNHUMQJBV-HXUWFJFHSA-N 2 0 401.595 3.886 20 0 HHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000573358733 1074354554 /nfs/dbraw/zinc/35/45/54/1074354554.db2.gz NYRQBQWZIOSPJW-AWEZNQCLSA-N 2 0 410.331 3.644 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000591522928 1074363511 /nfs/dbraw/zinc/36/35/11/1074363511.db2.gz YZBRHKGQOQOVOE-IBGZPJMESA-N 2 0 402.583 3.664 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591557808 1074406383 /nfs/dbraw/zinc/40/63/83/1074406383.db2.gz YDKYCDIHVVRKRQ-RTWAWAEBSA-N 2 0 404.986 3.747 20 0 HHADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592559562 1074789444 /nfs/dbraw/zinc/78/94/44/1074789444.db2.gz UZICAHZYCKLSRS-UHFFFAOYSA-N 2 0 409.018 3.781 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccccc1 ZINC000594193149 1075270726 /nfs/dbraw/zinc/27/07/26/1075270726.db2.gz FVBHEZOLNLMLKM-QFIPXVFZSA-N 2 0 401.595 3.609 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594248963 1075271293 /nfs/dbraw/zinc/27/12/93/1075271293.db2.gz BFWKBEUBUGGCGB-JOCHJYFZSA-N 2 0 416.635 3.760 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594291929 1075278246 /nfs/dbraw/zinc/27/82/46/1075278246.db2.gz QDLLCWMNTPJSIN-LEWJYISDSA-N 2 0 404.986 3.747 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000597886107 1075724457 /nfs/dbraw/zinc/72/44/57/1075724457.db2.gz NLYICHZNBUWONR-DQEYMECFSA-N 2 0 420.601 3.807 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628442 719110503 /nfs/dbraw/zinc/11/05/03/719110503.db2.gz MVOXFYPACPWBOG-XUZZJYLKSA-N 2 0 406.574 3.655 20 0 HHADRP C[N@H+](Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646396 719297249 /nfs/dbraw/zinc/29/72/49/719297249.db2.gz BEERFEIBVOXOEW-LADGPHEKSA-N 2 0 410.537 3.864 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164842272 720721096 /nfs/dbraw/zinc/72/10/96/720721096.db2.gz XGPHIVNEBAPRMF-JOCHJYFZSA-N 2 0 403.530 3.527 20 0 HHADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1 ZINC001164843001 720739917 /nfs/dbraw/zinc/73/99/17/720739917.db2.gz HBGLYFOXYJNTEO-QFIPXVFZSA-N 2 0 408.594 3.877 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768939 721234134 /nfs/dbraw/zinc/23/41/34/721234134.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 2 0 422.621 3.710 20 0 HHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165023259 721821542 /nfs/dbraw/zinc/82/15/42/721821542.db2.gz ILVJZIUBJHOFLR-LDQXTDLNSA-N 2 0 411.981 3.513 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996148 722212424 /nfs/dbraw/zinc/21/24/24/722212424.db2.gz MBTCKJWXATXDDE-VWLOTQADSA-N 2 0 424.564 3.939 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000301444141 970931117 /nfs/dbraw/zinc/93/11/17/970931117.db2.gz JMGDHBDOTZWXFB-MRXNPFEDSA-N 2 0 404.352 3.773 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)Cc2cccc(OC)n2)CC1 ZINC000542146644 1013081062 /nfs/dbraw/zinc/08/10/62/1013081062.db2.gz JCWMZASKVOHJSQ-MSOLQXFVSA-N 2 0 400.542 3.653 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000303293127 971605352 /nfs/dbraw/zinc/60/53/52/971605352.db2.gz MXYUBCOYWJLGRL-VQTJNVASSA-N 2 0 404.624 3.620 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000303511333 971811047 /nfs/dbraw/zinc/81/10/47/971811047.db2.gz WZXRDMFTZUQEJA-OTYNDTSQSA-N 2 0 412.603 3.846 20 0 HHADRP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000303748680 972001505 /nfs/dbraw/zinc/00/15/05/972001505.db2.gz HAMKMYNPHYCXRJ-OAQYLSRUSA-N 2 0 409.574 3.868 20 0 HHADRP Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000303800507 972037129 /nfs/dbraw/zinc/03/71/29/972037129.db2.gz LMRFBIWVMRIZKO-FQEVSTJZSA-N 2 0 414.550 3.877 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000303803143 972038819 /nfs/dbraw/zinc/03/88/19/972038819.db2.gz BFRNKIBWVBVGPY-SFHVURJKSA-N 2 0 412.553 3.520 20 0 HHADRP COc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc(Br)c1OC ZINC000542247850 1013206993 /nfs/dbraw/zinc/20/69/93/1013206993.db2.gz XVFUHUOUONIVMZ-UHFFFAOYSA-N 2 0 417.307 3.645 20 0 HHADRP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OCc1ccccn1 ZINC000537661923 1013223102 /nfs/dbraw/zinc/22/31/02/1013223102.db2.gz VYBKSFSLAXNFRQ-VWLOTQADSA-N 2 0 422.617 3.878 20 0 HHADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000007340707 961135664 /nfs/dbraw/zinc/13/56/64/961135664.db2.gz WXCRFJMMVNLWDQ-OAQYLSRUSA-N 2 0 406.574 3.679 20 0 HHADRP COc1ccc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000537846797 1013411562 /nfs/dbraw/zinc/41/15/62/1013411562.db2.gz VTPWRWKRYLRCAC-UHFFFAOYSA-N 2 0 416.953 3.921 20 0 HHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000542488585 1013435274 /nfs/dbraw/zinc/43/52/74/1013435274.db2.gz JGNDEVZJJYKWPN-OAQYLSRUSA-N 2 0 422.617 3.792 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537879661 1013458379 /nfs/dbraw/zinc/45/83/79/1013458379.db2.gz WDHZNFJPNKCDKF-UHFFFAOYSA-N 2 0 423.605 3.852 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)ccn1 ZINC000537941681 1013525624 /nfs/dbraw/zinc/52/56/24/1013525624.db2.gz ZWKVRUBWALVZKQ-UHFFFAOYSA-N 2 0 420.960 3.569 20 0 HHADRP C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553681502 1013542865 /nfs/dbraw/zinc/54/28/65/1013542865.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 2 0 412.578 3.654 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000537968727 1013545872 /nfs/dbraw/zinc/54/58/72/1013545872.db2.gz UQUXZMXAHBYJMN-IKGGRYGDSA-N 2 0 415.500 3.902 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000537969919 1013546552 /nfs/dbraw/zinc/54/65/52/1013546552.db2.gz XTEAHAAFJALPAK-IBGZPJMESA-N 2 0 403.979 3.958 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000537972038 1013548716 /nfs/dbraw/zinc/54/87/16/1013548716.db2.gz SLPPDIANYPJZEN-QHCPKHFHSA-N 2 0 409.599 3.632 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1OC ZINC000537972933 1013550355 /nfs/dbraw/zinc/55/03/55/1013550355.db2.gz JQZGPMUTHFEWFI-HXUWFJFHSA-N 2 0 403.954 3.881 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)([NH+](C)C)C1 ZINC000057849100 965562377 /nfs/dbraw/zinc/56/23/77/965562377.db2.gz LQARXBHCAAPADI-JPYJTQIMSA-N 2 0 404.574 3.600 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607121 /nfs/dbraw/zinc/60/71/21/1013607121.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 2 0 414.638 3.900 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000058884004 965940604 /nfs/dbraw/zinc/94/06/04/965940604.db2.gz ZRLLMRJXQKHAED-VWPQPMDRSA-N 2 0 401.595 3.885 20 0 HHADRP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3=CC[N@H+](C)CC3)s2)cc1OC ZINC000553787032 1013614371 /nfs/dbraw/zinc/61/43/71/1013614371.db2.gz IRBQTSLBDNEAJA-HNNXBMFYSA-N 2 0 401.576 3.972 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)CC1 ZINC000059003356 965988965 /nfs/dbraw/zinc/98/89/65/965988965.db2.gz KBQXAGXADSCAIM-UHFFFAOYSA-N 2 0 409.574 3.789 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000031664272 966079479 /nfs/dbraw/zinc/07/94/79/966079479.db2.gz MGOHKWIDCOKGKJ-UHFFFAOYSA-N 2 0 406.574 3.878 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244770 966081173 /nfs/dbraw/zinc/08/11/73/966081173.db2.gz AWVXUTRWRMIKJO-WMZOPIPTSA-N 2 0 406.621 3.624 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000542713853 1013626035 /nfs/dbraw/zinc/62/60/35/1013626035.db2.gz LOTHZLGYEFLJQT-HXUWFJFHSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000538059654 1013636848 /nfs/dbraw/zinc/63/68/48/1013636848.db2.gz DWIFJGCLHHLDIY-OAQYLSRUSA-N 2 0 405.590 3.822 20 0 HHADRP c1c(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000060996507 966347110 /nfs/dbraw/zinc/34/71/10/966347110.db2.gz VRSMLZPLRGZCFT-UHFFFAOYSA-N 2 0 404.558 3.800 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846058 966490600 /nfs/dbraw/zinc/49/06/00/966490600.db2.gz OPDDFPOPIMZESR-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000040038950 966514633 /nfs/dbraw/zinc/51/46/33/966514633.db2.gz ACGQXZUQJQGBOD-UHFFFAOYSA-N 2 0 406.574 3.878 20 0 HHADRP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791258 966555391 /nfs/dbraw/zinc/55/53/91/966555391.db2.gz VWOXOQBXRBSCDK-UHFFFAOYSA-N 2 0 418.651 3.864 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000061792217 966556777 /nfs/dbraw/zinc/55/67/77/966556777.db2.gz XBNZOTFVRRSMOR-MOPGFXCFSA-N 2 0 404.624 3.662 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000538099795 1013668785 /nfs/dbraw/zinc/66/87/85/1013668785.db2.gz BPMDTCLTRXPEIW-GOSISDBHSA-N 2 0 401.576 3.561 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148918 966762041 /nfs/dbraw/zinc/76/20/41/966762041.db2.gz AJQAFFSDARNRBK-FQEVSTJZSA-N 2 0 402.652 3.770 20 0 HHADRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)C(C)C ZINC000043877119 967066010 /nfs/dbraw/zinc/06/60/10/967066010.db2.gz MNXPPSRZOJZEHU-QHCPKHFHSA-N 2 0 413.610 3.567 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[NH+]2CCCC2)cc1 ZINC000064237307 967100599 /nfs/dbraw/zinc/10/05/99/967100599.db2.gz UFWLEJWMICTSJD-DEOSSOPVSA-N 2 0 424.589 3.572 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251169 967105087 /nfs/dbraw/zinc/10/50/87/967105087.db2.gz KLLQAJXYSUYNIX-IBGZPJMESA-N 2 0 406.640 3.914 20 0 HHADRP O=C(CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000542842582 1013702857 /nfs/dbraw/zinc/70/28/57/1013702857.db2.gz WKTBDCQDHRIAJW-UHFFFAOYSA-N 2 0 412.622 3.502 20 0 HHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000542844927 1013704340 /nfs/dbraw/zinc/70/43/40/1013704340.db2.gz ZUYCUZQZYGDWIZ-NRFANRHFSA-N 2 0 408.590 3.894 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000542848289 1013707599 /nfs/dbraw/zinc/70/75/99/1013707599.db2.gz WWOWGQWSIVPEPS-YADARESESA-N 2 0 424.589 3.978 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[NH+]1CCCC1 ZINC000065470216 967483394 /nfs/dbraw/zinc/48/33/94/967483394.db2.gz DQEJZCIVGNFHTL-XZOQPEGZSA-N 2 0 424.589 3.743 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000065518114 967503520 /nfs/dbraw/zinc/50/35/20/967503520.db2.gz RVYNUIRVIAJNFO-HSZRJFAPSA-N 2 0 400.611 3.660 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000045758410 967548357 /nfs/dbraw/zinc/54/83/57/967548357.db2.gz QZODUFOSSJVMQG-UHFFFAOYSA-N 2 0 400.611 3.771 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000046347153 967757446 /nfs/dbraw/zinc/75/74/46/967757446.db2.gz XKYOZKNCDDAEJP-OAQYLSRUSA-N 2 0 400.592 3.577 20 0 HHADRP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000538218391 1013769626 /nfs/dbraw/zinc/76/96/26/1013769626.db2.gz WHLOCGJYLVPCGL-PKTZIBPZSA-N 2 0 406.636 3.667 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000542948437 1013780645 /nfs/dbraw/zinc/78/06/45/1013780645.db2.gz VYFNHRHIMUWCNM-HSZRJFAPSA-N 2 0 419.585 3.560 20 0 HHADRP COc1cccc([C@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268519 1013809050 /nfs/dbraw/zinc/80/90/50/1013809050.db2.gz IODNNQOGFIDZOH-PKTZIBPZSA-N 2 0 409.574 3.876 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065857873 968684002 /nfs/dbraw/zinc/68/40/02/968684002.db2.gz QALQYZBMKOFPIK-NRFANRHFSA-N 2 0 424.564 3.737 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065937467 968727124 /nfs/dbraw/zinc/72/71/24/968727124.db2.gz HPFHFVAORGUMBV-UHFFFAOYSA-N 2 0 401.501 3.765 20 0 HHADRP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295210 1013829951 /nfs/dbraw/zinc/82/99/51/1013829951.db2.gz YWHYJDBRHCGFHU-IRLDBZIGSA-N 2 0 421.589 3.586 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000071919687 968889429 /nfs/dbraw/zinc/88/94/29/968889429.db2.gz QMXLEQNZNWBPTF-XPNTWCBSSA-N 2 0 400.611 3.881 20 0 HHADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000072027242 968940752 /nfs/dbraw/zinc/94/07/52/968940752.db2.gz FSFAXUWLRUKWRH-ZEQRLZLVSA-N 2 0 407.558 3.613 20 0 HHADRP COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027248 968940798 /nfs/dbraw/zinc/94/07/98/968940798.db2.gz IHDQCJOQJJARHA-DNQXCXABSA-N 2 0 407.558 3.613 20 0 HHADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000072096964 968989272 /nfs/dbraw/zinc/98/92/72/968989272.db2.gz FSWYIJIBELNFDY-VWLOTQADSA-N 2 0 422.617 3.706 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000096626715 969049491 /nfs/dbraw/zinc/04/94/91/969049491.db2.gz MLHKKCVZDCVZPL-QFIPXVFZSA-N 2 0 409.549 3.819 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2F)CC1 ZINC000097545714 969155282 /nfs/dbraw/zinc/15/52/82/969155282.db2.gz XINUSMNMWFGCGP-DEOSSOPVSA-N 2 0 424.564 3.959 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000109310492 969495593 /nfs/dbraw/zinc/49/55/93/969495593.db2.gz VUNVRUMPDTUASF-QHCPKHFHSA-N 2 0 409.578 3.561 20 0 HHADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000110427348 969666756 /nfs/dbraw/zinc/66/67/56/969666756.db2.gz OHPBTOIDUBEGHT-WHLIWEHUSA-N 2 0 415.622 3.854 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000110430676 969667224 /nfs/dbraw/zinc/66/72/24/969667224.db2.gz CLMIRBYJPHHPGG-MZKRTTBSSA-N 2 0 418.622 3.545 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000111071372 969771699 /nfs/dbraw/zinc/77/16/99/969771699.db2.gz ANIXOTMOHJJCSL-VWLOTQADSA-N 2 0 422.617 3.523 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1)c1ccccc1 ZINC000111071069 969771900 /nfs/dbraw/zinc/77/19/00/969771900.db2.gz AXINKMPOOGESBN-DEOSSOPVSA-N 2 0 409.574 3.859 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000116393333 969890301 /nfs/dbraw/zinc/89/03/01/969890301.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 2 0 420.601 3.842 20 0 HHADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437221 969894892 /nfs/dbraw/zinc/89/48/92/969894892.db2.gz WJRANRZSEVPQCD-QFIPXVFZSA-N 2 0 424.614 3.790 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000554350077 1013918386 /nfs/dbraw/zinc/91/83/86/1013918386.db2.gz ZAGUJOKGKPPEGF-QFIPXVFZSA-N 2 0 418.589 3.516 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376049 1013925123 /nfs/dbraw/zinc/92/51/23/1013925123.db2.gz DGEAIPFMVDRCNA-YSIASYRMSA-N 2 0 411.512 3.820 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376047 1013925166 /nfs/dbraw/zinc/92/51/66/1013925166.db2.gz DGEAIPFMVDRCNA-DFQSSKMNSA-N 2 0 411.512 3.820 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000195719215 969979053 /nfs/dbraw/zinc/97/90/53/969979053.db2.gz BYFQYIGDUPYKSE-CALCHBBNSA-N 2 0 421.383 3.614 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000138498570 969999254 /nfs/dbraw/zinc/99/92/54/969999254.db2.gz ZKEIGLZRFWWGMK-UHFFFAOYSA-N 2 0 409.578 3.520 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000236687379 970155868 /nfs/dbraw/zinc/15/58/68/970155868.db2.gz CKAWAZHDRUREBO-QHCPKHFHSA-N 2 0 418.029 3.563 20 0 HHADRP CC(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](C)CC1 ZINC000236706013 970159689 /nfs/dbraw/zinc/15/96/89/970159689.db2.gz ULPBEKQPSIPELH-JOCHJYFZSA-N 2 0 423.630 3.962 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236849751 970180387 /nfs/dbraw/zinc/18/03/87/970180387.db2.gz FRZHADXYOUSDIQ-HXUWFJFHSA-N 2 0 421.564 3.794 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000236852691 970180687 /nfs/dbraw/zinc/18/06/87/970180687.db2.gz ABOOWOUFNNHYNC-INIZCTEOSA-N 2 0 415.509 3.556 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000236945942 970192912 /nfs/dbraw/zinc/19/29/12/970192912.db2.gz TVHYGDYXKXTWJG-UHFFFAOYSA-N 2 0 423.424 3.690 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000237160004 970233709 /nfs/dbraw/zinc/23/37/09/970233709.db2.gz IZIFECHMESJGHK-UHFFFAOYSA-N 2 0 404.352 3.855 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000237172656 970235673 /nfs/dbraw/zinc/23/56/73/970235673.db2.gz SWDJILALGXPQNR-UHFFFAOYSA-N 2 0 411.880 3.523 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1)C1CCOCC1 ZINC000237206936 970241588 /nfs/dbraw/zinc/24/15/88/970241588.db2.gz DIKFWJXTEFKKKO-UHFFFAOYSA-N 2 0 420.557 3.652 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000145400563 970259929 /nfs/dbraw/zinc/25/99/29/970259929.db2.gz UJOTYPPWZUOINB-NRFANRHFSA-N 2 0 412.603 3.534 20 0 HHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237419406 970281842 /nfs/dbraw/zinc/28/18/42/970281842.db2.gz NMHPALVSMGOJBT-FQEVSTJZSA-N 2 0 421.564 3.712 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237420801 970282690 /nfs/dbraw/zinc/28/26/90/970282690.db2.gz WXHRDBKFKKMXJP-NRFANRHFSA-N 2 0 403.574 3.573 20 0 HHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000237587511 970317750 /nfs/dbraw/zinc/31/77/50/970317750.db2.gz LBTPGHNZKCXSMW-JOCHJYFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000237664861 970334367 /nfs/dbraw/zinc/33/43/67/970334367.db2.gz UUJXNYUOYPQBRN-OAHLLOKOSA-N 2 0 408.409 3.903 20 0 HHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000237739006 970351237 /nfs/dbraw/zinc/35/12/37/970351237.db2.gz FZEHORXTBNHYEL-IBGZPJMESA-N 2 0 412.578 3.850 20 0 HHADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000554662833 1014004613 /nfs/dbraw/zinc/00/46/13/1014004613.db2.gz ZZTOSJSVYBVEOI-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000410323170 973872058 /nfs/dbraw/zinc/87/20/58/973872058.db2.gz LVGVFNHGUGJQTM-UHFFFAOYSA-N 2 0 424.589 3.858 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000410339892 973923365 /nfs/dbraw/zinc/92/33/65/973923365.db2.gz VMMKVPDVURZBOX-UHFFFAOYSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000410354877 973946000 /nfs/dbraw/zinc/94/60/00/973946000.db2.gz XWHOPDCIYWIGAG-FQEVSTJZSA-N 2 0 408.590 3.980 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974931 /nfs/dbraw/zinc/97/49/31/973974931.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)CCC(F)(F)F ZINC000425975257 974082849 /nfs/dbraw/zinc/08/28/49/974082849.db2.gz BQNNOJFEZOZNKD-IBGZPJMESA-N 2 0 414.516 3.567 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000425975745 974083138 /nfs/dbraw/zinc/08/31/38/974083138.db2.gz CWHVIYCZFSUHLF-GOSISDBHSA-N 2 0 420.564 3.947 20 0 HHADRP COC(=O)C1CCC([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000426061783 974185160 /nfs/dbraw/zinc/18/51/60/974185160.db2.gz VTEPPUPTMUCJCX-IVCWUUCSSA-N 2 0 402.579 3.517 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000426120443 974243546 /nfs/dbraw/zinc/24/35/46/974243546.db2.gz QXVJJZOOOXBYRX-SFHVURJKSA-N 2 0 424.511 3.692 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000426153708 974269667 /nfs/dbraw/zinc/26/96/67/974269667.db2.gz OVEHYMZWDNQZIP-UHFFFAOYSA-N 2 0 402.583 3.936 20 0 HHADRP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000426302176 974382098 /nfs/dbraw/zinc/38/20/98/974382098.db2.gz HFXKQTOSFNQQCB-OEMFJLHTSA-N 2 0 401.554 3.929 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426827107 974691870 /nfs/dbraw/zinc/69/18/70/974691870.db2.gz HIPLNYUILHMBMR-OTWHNJEPSA-N 2 0 422.013 3.556 20 0 HHADRP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426829296 974694946 /nfs/dbraw/zinc/69/49/46/974694946.db2.gz OPVDCRASSYJSTR-VXKWHMMOSA-N 2 0 415.622 3.635 20 0 HHADRP CC(C)O[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000428210578 975534630 /nfs/dbraw/zinc/53/46/30/975534630.db2.gz IXRVCNIYCHTLOG-QFIPXVFZSA-N 2 0 403.611 3.569 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000428270325 975584746 /nfs/dbraw/zinc/58/47/46/975584746.db2.gz MYNDNPOCCQTXAH-DUXKGJEZSA-N 2 0 400.592 3.703 20 0 HHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1Cl ZINC000428398523 975718788 /nfs/dbraw/zinc/71/87/88/975718788.db2.gz FULZZNDUMLNXHQ-IAGOWNOFSA-N 2 0 423.001 3.613 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428650432 975951135 /nfs/dbraw/zinc/95/11/35/975951135.db2.gz OXYOKYHMWKRALE-WOJBJXKFSA-N 2 0 412.622 3.838 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428856512 976146776 /nfs/dbraw/zinc/14/67/76/976146776.db2.gz NILJXYSBCAISAV-FYYLOGMGSA-N 2 0 400.611 3.995 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428918183 976219286 /nfs/dbraw/zinc/21/92/86/976219286.db2.gz AVYMYZDDJBTQJC-XXBNENTESA-N 2 0 412.553 3.610 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000428960899 976250084 /nfs/dbraw/zinc/25/00/84/976250084.db2.gz FDDQCDGGZKFTPJ-AREMUKBSSA-N 2 0 423.601 3.626 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976711950 /nfs/dbraw/zinc/71/19/50/976711950.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 2 0 419.613 3.778 20 0 HHADRP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430911947 977881359 /nfs/dbraw/zinc/88/13/59/977881359.db2.gz JOVVFEIIKHWIPS-HXUWFJFHSA-N 2 0 414.638 3.704 20 0 HHADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914278 977883319 /nfs/dbraw/zinc/88/33/19/977883319.db2.gz IXMQLEDYRWEEOP-GOSISDBHSA-N 2 0 421.029 3.795 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431116553 978028387 /nfs/dbraw/zinc/02/83/87/978028387.db2.gz XPQAOFNDRVBOLN-HXUWFJFHSA-N 2 0 416.614 3.578 20 0 HHADRP Cc1cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129375 978037289 /nfs/dbraw/zinc/03/72/89/978037289.db2.gz PZEDYIDVXYKRCU-FQEVSTJZSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431286236 978172473 /nfs/dbraw/zinc/17/24/73/978172473.db2.gz XDSUHRBTKNNRQP-FCHUYYIVSA-N 2 0 412.622 3.805 20 0 HHADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000431351690 978229864 /nfs/dbraw/zinc/22/98/64/978229864.db2.gz RHLJQLIWBLHHCL-OAQYLSRUSA-N 2 0 415.965 3.943 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000431652755 978412393 /nfs/dbraw/zinc/41/23/93/978412393.db2.gz WMKMOOMHGOLHGN-QPPBQGQZSA-N 2 0 414.638 3.954 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000431816960 978534053 /nfs/dbraw/zinc/53/40/53/978534053.db2.gz AVDWVPNDIZRVJQ-UHFFFAOYSA-N 2 0 412.622 3.805 20 0 HHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000431956722 978618265 /nfs/dbraw/zinc/61/82/65/978618265.db2.gz VCSRRTXDKSQOAY-IFMALSPDSA-N 2 0 422.658 3.610 20 0 HHADRP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1OCc1cccs1 ZINC000432365225 978779646 /nfs/dbraw/zinc/77/96/46/978779646.db2.gz RKPXUJZBGZBPCT-GOSISDBHSA-N 2 0 404.576 3.926 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(c4cccc(Br)c4)C3)cn2)CC1 ZINC000432439128 978813024 /nfs/dbraw/zinc/81/30/24/978813024.db2.gz FOKOXXFHPIVMGF-UHFFFAOYSA-N 2 0 415.379 3.632 20 0 HHADRP COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000432837133 978988187 /nfs/dbraw/zinc/98/81/87/978988187.db2.gz QVLPSXRHUJRRHL-VPBXCIAMSA-N 2 0 414.590 3.790 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000433209518 979144133 /nfs/dbraw/zinc/14/41/33/979144133.db2.gz REWDZYYPYPKXIQ-NGSHPTGOSA-N 2 0 414.590 3.982 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521264 980916983 /nfs/dbraw/zinc/91/69/83/980916983.db2.gz GJKPJZOGXPMARF-KSEOMHKRSA-N 2 0 424.593 3.585 20 0 HHADRP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000436286699 981284395 /nfs/dbraw/zinc/28/43/95/981284395.db2.gz SSDPWWRQRUGDNF-UHFFFAOYSA-N 2 0 409.574 3.981 20 0 HHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000436299124 981287851 /nfs/dbraw/zinc/28/78/51/981287851.db2.gz IXBUHIUJWWEHHA-UHFFFAOYSA-N 2 0 411.590 3.942 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436399228 981348441 /nfs/dbraw/zinc/34/84/41/981348441.db2.gz ILKRJISRIIJDQO-PZJWPPBQSA-N 2 0 413.528 3.792 20 0 HHADRP COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)n2)ccc1O ZINC000436742524 981541492 /nfs/dbraw/zinc/54/14/92/981541492.db2.gz WMRJOFJTIYPCGY-IPMKNSEASA-N 2 0 414.550 3.626 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437037245 981707633 /nfs/dbraw/zinc/70/76/33/981707633.db2.gz MCWWBHBSEYZGDU-HSZRJFAPSA-N 2 0 423.626 3.830 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000448463867 981797198 /nfs/dbraw/zinc/79/71/98/981797198.db2.gz DRAYJHWYVKWSJP-QHCPKHFHSA-N 2 0 400.611 3.840 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)[C@H](C)C1 ZINC000448463438 981797327 /nfs/dbraw/zinc/79/73/27/981797327.db2.gz BTRHOMJDMUWTTQ-HJNYFJLDSA-N 2 0 416.610 3.594 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448473815 981816039 /nfs/dbraw/zinc/81/60/39/981816039.db2.gz UHTIRLUXANJSRS-QNWVGRARSA-N 2 0 414.638 3.810 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460100039 981876225 /nfs/dbraw/zinc/87/62/25/981876225.db2.gz CSSYRHQVXRPJNI-WMTXJRDZSA-N 2 0 424.564 3.592 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460254891 982031863 /nfs/dbraw/zinc/03/18/63/982031863.db2.gz WKSVVEVPIIYJNP-OAHLLOKOSA-N 2 0 418.916 3.821 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC000460338290 982110210 /nfs/dbraw/zinc/11/02/10/982110210.db2.gz IXAUJBJJNBASIU-GGAORHGYSA-N 2 0 424.564 3.551 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000460364366 982140637 /nfs/dbraw/zinc/14/06/37/982140637.db2.gz LFSQPIDDUPWVII-SBHAEUEKSA-N 2 0 407.558 3.654 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437548220 982178212 /nfs/dbraw/zinc/17/82/12/982178212.db2.gz KQTTXQBPHXUMJQ-XXBNENTESA-N 2 0 413.610 3.703 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460472864 982266019 /nfs/dbraw/zinc/26/60/19/982266019.db2.gz ZLKDIZHHPNGJPA-FCHUYYIVSA-N 2 0 410.606 3.557 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000438060171 982561051 /nfs/dbraw/zinc/56/10/51/982561051.db2.gz PNQQSGUAHZTVFG-NRFANRHFSA-N 2 0 402.583 3.793 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000438086645 982579898 /nfs/dbraw/zinc/57/98/98/982579898.db2.gz BWKAOHBLEVRXDL-GOSISDBHSA-N 2 0 412.578 3.727 20 0 HHADRP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540367 982877626 /nfs/dbraw/zinc/87/76/26/982877626.db2.gz JMGMOUMKVMIBDJ-QFIPXVFZSA-N 2 0 419.997 3.706 20 0 HHADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097074 /nfs/dbraw/zinc/09/70/74/983097074.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 2 0 403.570 3.632 20 0 HHADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438701 983102638 /nfs/dbraw/zinc/10/26/38/983102638.db2.gz MNUBCCSOERYBBS-LOSJGSFVSA-N 2 0 403.570 3.877 20 0 HHADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000461446676 983111610 /nfs/dbraw/zinc/11/16/10/983111610.db2.gz LGWDIEQKFINQDK-UNMCSNQZSA-N 2 0 423.523 3.775 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000438962117 983180087 /nfs/dbraw/zinc/18/00/87/983180087.db2.gz BVWUBMUCGGNZOH-LJQANCHMSA-N 2 0 401.599 3.561 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142575 983270493 /nfs/dbraw/zinc/27/04/93/983270493.db2.gz PFFKHLJBNWAKIG-KSSFIOAISA-N 2 0 400.430 3.825 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194283 983303212 /nfs/dbraw/zinc/30/32/12/983303212.db2.gz VYIVLSIJADEUAK-NMMYMHLASA-N 2 0 421.589 3.569 20 0 HHADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000440175962 983670228 /nfs/dbraw/zinc/67/02/28/983670228.db2.gz NTVRQXGHPOFGFL-CVDCTZTESA-N 2 0 415.626 3.807 20 0 HHADRP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000440175963 983670317 /nfs/dbraw/zinc/67/03/17/983670317.db2.gz NTVRQXGHPOFGFL-WMZHIEFXSA-N 2 0 415.626 3.807 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440818799 983920261 /nfs/dbraw/zinc/92/02/61/983920261.db2.gz VBOQPXVXOMASPD-RZFJCUDFSA-N 2 0 400.611 3.838 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000440826300 983924941 /nfs/dbraw/zinc/92/49/41/983924941.db2.gz MBOKWCGZNAQQPG-VWRAKTAISA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000441192129 984107673 /nfs/dbraw/zinc/10/76/73/984107673.db2.gz DBFPHCKDYHROIO-AGILITTLSA-N 2 0 407.558 3.866 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000441270454 984150554 /nfs/dbraw/zinc/15/05/54/984150554.db2.gz UIPYMHSULWZRKJ-WNOPAQSVSA-N 2 0 423.557 3.991 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000442224167 984743413 /nfs/dbraw/zinc/74/34/13/984743413.db2.gz GWOHQXWGXRIJRM-UHFFFAOYSA-N 2 0 402.583 3.793 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000442245151 984766993 /nfs/dbraw/zinc/76/69/93/984766993.db2.gz QWRURJQPPLLGKM-POOLCLQXSA-N 2 0 416.610 3.642 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(C)(C)C[NH+](C)C ZINC000443234617 985455773 /nfs/dbraw/zinc/45/57/73/985455773.db2.gz APJCULLSCFALCU-RDPSFJRHSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)s1 ZINC000443310160 985485685 /nfs/dbraw/zinc/48/56/85/985485685.db2.gz IKBPQYSWKVRGSR-UKRRQHHQSA-N 2 0 410.381 3.580 20 0 HHADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467969373 985610255 /nfs/dbraw/zinc/61/02/55/985610255.db2.gz MCZHEQHXMIEOSZ-UHFFFAOYSA-N 2 0 420.601 3.866 20 0 HHADRP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714187 985660742 /nfs/dbraw/zinc/66/07/42/985660742.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 2 0 420.601 3.717 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738872 985681526 /nfs/dbraw/zinc/68/15/26/985681526.db2.gz MAENWTQMGOLGRC-MZYLBHOOSA-N 2 0 400.611 3.803 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000462738874 985681789 /nfs/dbraw/zinc/68/17/89/985681789.db2.gz MAENWTQMGOLGRC-PUHATCMVSA-N 2 0 400.611 3.803 20 0 HHADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000462745899 985686879 /nfs/dbraw/zinc/68/68/79/985686879.db2.gz QVXQOFPVVZCCKT-QHCPKHFHSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748835 985689813 /nfs/dbraw/zinc/68/98/13/985689813.db2.gz FSVRESFFKVSXHG-RBBKRZOGSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000462750039 985691525 /nfs/dbraw/zinc/69/15/25/985691525.db2.gz LQQHJSJVTZDQQI-RPWUZVMVSA-N 2 0 412.622 3.662 20 0 HHADRP CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443593456 985769702 /nfs/dbraw/zinc/76/97/02/985769702.db2.gz USTRBSKOLQJGCK-UHFFFAOYSA-N 2 0 401.595 3.678 20 0 HHADRP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000443609858 985787890 /nfs/dbraw/zinc/78/78/90/985787890.db2.gz WCFPHJIEDJPXDS-VWLOTQADSA-N 2 0 413.606 3.851 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000468177787 985860020 /nfs/dbraw/zinc/86/00/20/985860020.db2.gz LGRFQKOJYZHKDU-UHFFFAOYSA-N 2 0 401.514 3.641 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016655 985972540 /nfs/dbraw/zinc/97/25/40/985972540.db2.gz UWVCITSAZHZCTC-RDPSFJRHSA-N 2 0 406.574 3.602 20 0 HHADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000463056266 986013188 /nfs/dbraw/zinc/01/31/88/986013188.db2.gz FENSMCZIUOGPEL-SQJMNOBHSA-N 2 0 406.618 3.827 20 0 HHADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000463061239 986017971 /nfs/dbraw/zinc/01/79/71/986017971.db2.gz GNRJJLKBVCITHQ-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP c1ccc(CC[NH+]2CCC([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC2)cc1 ZINC000463073215 986030454 /nfs/dbraw/zinc/03/04/54/986030454.db2.gz YFMRAZSYSMOHFF-UHFFFAOYSA-N 2 0 422.569 3.760 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443846797 986050198 /nfs/dbraw/zinc/05/01/98/986050198.db2.gz WPZQPFZVVABCNR-XXBNENTESA-N 2 0 424.589 3.583 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463104352 986065007 /nfs/dbraw/zinc/06/50/07/986065007.db2.gz HSTABCBIAVQCJY-DQEYMECFSA-N 2 0 405.586 3.750 20 0 HHADRP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000468474091 986168294 /nfs/dbraw/zinc/16/82/94/986168294.db2.gz CAKQLIABRURSHE-UHFFFAOYSA-N 2 0 406.574 3.598 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000444035247 986231858 /nfs/dbraw/zinc/23/18/58/986231858.db2.gz JCNBBZQLUPMVQO-PKOBYXMFSA-N 2 0 422.017 3.818 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272792 986240359 /nfs/dbraw/zinc/24/03/59/986240359.db2.gz UITXOFSDLUFHFI-OFVILXPXSA-N 2 0 420.601 3.813 20 0 HHADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444346082 986528091 /nfs/dbraw/zinc/52/80/91/986528091.db2.gz RCJJOHOCCPQTJU-UHFFFAOYSA-N 2 0 410.606 3.844 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000444575421 986765845 /nfs/dbraw/zinc/76/58/45/986765845.db2.gz SPPRTXGEFIDMFC-UHFFFAOYSA-N 2 0 405.586 3.805 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000469425937 987114223 /nfs/dbraw/zinc/11/42/23/987114223.db2.gz IBWVYYQFANHGRT-XZOQPEGZSA-N 2 0 400.611 3.516 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444989393 987117663 /nfs/dbraw/zinc/11/76/63/987117663.db2.gz RWEYNONMJHNFLP-UPVQGACJSA-N 2 0 410.606 3.557 20 0 HHADRP C[C@@H]([NH2+]C1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CCCC1)c1ccccc1 ZINC000469492076 987172830 /nfs/dbraw/zinc/17/28/30/987172830.db2.gz NNVRZXDOYHQTNV-OAQYLSRUSA-N 2 0 413.606 3.801 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000469523493 987198613 /nfs/dbraw/zinc/19/86/13/987198613.db2.gz KFZSXNDRYPIIDH-XMMPIXPASA-N 2 0 424.589 3.859 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000469719386 987372157 /nfs/dbraw/zinc/37/21/57/987372157.db2.gz DZIFHSUDWDBZLL-INIZCTEOSA-N 2 0 410.006 3.580 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000469788835 987433686 /nfs/dbraw/zinc/43/36/86/987433686.db2.gz CEQKYUZXWDFLTE-YLJYHZDGSA-N 2 0 410.986 3.770 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000469794038 987437521 /nfs/dbraw/zinc/43/75/21/987437521.db2.gz LQUJZDXSVNEFCC-BEFAXECRSA-N 2 0 417.363 3.694 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000470040324 987925360 /nfs/dbraw/zinc/92/53/60/987925360.db2.gz BOSRBZPAKSKHAB-HXUWFJFHSA-N 2 0 422.495 3.869 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067623 987963085 /nfs/dbraw/zinc/96/30/85/987963085.db2.gz SNQUHYCKWLBWGT-QFBILLFUSA-N 2 0 414.516 3.728 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470075816 987974363 /nfs/dbraw/zinc/97/43/63/987974363.db2.gz URRTUDZZFOHLAI-LJQANCHMSA-N 2 0 414.516 3.729 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000470167872 988082383 /nfs/dbraw/zinc/08/23/83/988082383.db2.gz FNUBOIOGCCRSGR-XVLXNVKGSA-N 2 0 412.500 3.623 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1C ZINC000470278852 988233459 /nfs/dbraw/zinc/23/34/59/988233459.db2.gz HYSVVSMJJKJZDT-AYOQOUSVSA-N 2 0 414.516 3.822 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288079 988246038 /nfs/dbraw/zinc/24/60/38/988246038.db2.gz RSUOWORFSLYXLP-PKTZIBPZSA-N 2 0 400.611 3.803 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000470721054 988746757 /nfs/dbraw/zinc/74/67/57/988746757.db2.gz BDWZCJWPTSWYRZ-FGZHOGPDSA-N 2 0 412.578 3.969 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1Cl ZINC000470737634 988773727 /nfs/dbraw/zinc/77/37/27/988773727.db2.gz QUEGCJXCKZRALR-NQIIRXRSSA-N 2 0 407.002 3.850 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470738011 988774031 /nfs/dbraw/zinc/77/40/31/988774031.db2.gz RTPGDPXIKPWDTB-WIYYLYMNSA-N 2 0 404.986 3.604 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470743597 988782783 /nfs/dbraw/zinc/78/27/83/988782783.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 2 0 400.611 3.947 20 0 HHADRP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770204 988993407 /nfs/dbraw/zinc/99/34/07/988993407.db2.gz FQXIFGZWVGPEQK-YADHBBJMSA-N 2 0 403.636 3.682 20 0 HHADRP CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000464805230 989035057 /nfs/dbraw/zinc/03/50/57/989035057.db2.gz LTZSAOWVZKETMF-UHFFFAOYSA-N 2 0 418.488 3.860 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018044 989337272 /nfs/dbraw/zinc/33/72/72/989337272.db2.gz ZAECHPBYZIEAFM-GHTZIAJQSA-N 2 0 407.002 3.754 20 0 HHADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471232337 989377107 /nfs/dbraw/zinc/37/71/07/989377107.db2.gz WGKVHYOZTQFIFJ-GOSISDBHSA-N 2 0 415.528 3.986 20 0 HHADRP CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000471298702 989460445 /nfs/dbraw/zinc/46/04/45/989460445.db2.gz SNWMGLVIIQYDMG-XMMPIXPASA-N 2 0 405.586 3.927 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471353963 989521870 /nfs/dbraw/zinc/52/18/70/989521870.db2.gz PYHUUYXWWXUFQK-ACWUQQCTSA-N 2 0 405.586 3.708 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000471377698 989554826 /nfs/dbraw/zinc/55/48/26/989554826.db2.gz YCUKRTBFZUNBCV-ADGBJGEGSA-N 2 0 424.589 3.872 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393399 989743495 /nfs/dbraw/zinc/74/34/95/989743495.db2.gz CBQMQEYQJKMSGF-YMPZKCBVSA-N 2 0 400.611 3.659 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000465405782 989753005 /nfs/dbraw/zinc/75/30/05/989753005.db2.gz MGJGQJSSQIXTHC-XZOQPEGZSA-N 2 0 424.589 3.970 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000465419437 989764879 /nfs/dbraw/zinc/76/48/79/989764879.db2.gz FUFMKLCQWSDIFG-RPBOFIJWSA-N 2 0 422.617 3.713 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000465453791 989793828 /nfs/dbraw/zinc/79/38/28/989793828.db2.gz SNADISMDCXXCGD-UHFFFAOYSA-N 2 0 422.658 3.708 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477590 989825318 /nfs/dbraw/zinc/82/53/18/989825318.db2.gz PAZHEDOUHRYCDA-RTWAWAEBSA-N 2 0 407.002 3.849 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465523681 989876730 /nfs/dbraw/zinc/87/67/30/989876730.db2.gz LGHIIRGVSMOSBH-PZJWPPBQSA-N 2 0 400.592 3.514 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465524058 989878569 /nfs/dbraw/zinc/87/85/69/989878569.db2.gz CYNPSSUXZVUDNX-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000465568381 989936109 /nfs/dbraw/zinc/93/61/09/989936109.db2.gz KJSGVEWUTAGXKW-LEWJYISDSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465577573 989947782 /nfs/dbraw/zinc/94/77/82/989947782.db2.gz SXJBTANVILUGFB-OFNKIYASSA-N 2 0 400.611 3.934 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000465579939 989950273 /nfs/dbraw/zinc/95/02/73/989950273.db2.gz PRIWCIRJDAAZGJ-NZQKXSOJSA-N 2 0 400.611 3.792 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465593567 989972008 /nfs/dbraw/zinc/97/20/08/989972008.db2.gz GKWUPKNBIUOTSI-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465611557 989996743 /nfs/dbraw/zinc/99/67/43/989996743.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 2 0 400.611 3.947 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000465633274 990019633 /nfs/dbraw/zinc/01/96/33/990019633.db2.gz PUKJXYAWVWSOBJ-DEOSSOPVSA-N 2 0 408.590 3.802 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000465678634 990063963 /nfs/dbraw/zinc/06/39/63/990063963.db2.gz CHQVVULRQZMIOH-NFBKMPQASA-N 2 0 412.553 3.592 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471916560 990083572 /nfs/dbraw/zinc/08/35/72/990083572.db2.gz WYQPDPQAZRTXAE-IFMALSPDSA-N 2 0 408.590 3.937 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465700455 990086656 /nfs/dbraw/zinc/08/66/56/990086656.db2.gz YGIFPGBONAUUQT-AUSIDOKSSA-N 2 0 412.553 3.734 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000465724763 990110297 /nfs/dbraw/zinc/11/02/97/990110297.db2.gz NZLLDKUGJTYJQT-SFLYRZDNSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465757288 990143521 /nfs/dbraw/zinc/14/35/21/990143521.db2.gz OLBHPYFYDNSDLM-IFMALSPDSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000465760140 990145692 /nfs/dbraw/zinc/14/56/92/990145692.db2.gz SNSSOKRQWYKMOF-WSTZPKSXSA-N 2 0 406.640 3.941 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000472089734 990247536 /nfs/dbraw/zinc/24/75/36/990247536.db2.gz WPMDDWFLZMFXLO-IBGZPJMESA-N 2 0 414.516 3.826 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876943 990992991 /nfs/dbraw/zinc/99/29/91/990992991.db2.gz MKYLQSAOZDBVGB-KAGYGMCKSA-N 2 0 414.619 3.951 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000465888364 991012251 /nfs/dbraw/zinc/01/22/51/991012251.db2.gz CXBPDLFRDUZDJR-VXKWHMMOSA-N 2 0 404.574 3.724 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000465913945 991045201 /nfs/dbraw/zinc/04/52/01/991045201.db2.gz YNDHWCWLTFMXRD-FXAWDEMLSA-N 2 0 407.002 3.676 20 0 HHADRP CN1CCC(CNC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956197 991096854 /nfs/dbraw/zinc/09/68/54/991096854.db2.gz ONNYJPNLTLCBSH-GOTSBHOMSA-N 2 0 412.622 3.647 20 0 HHADRP C[C@@H]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466022650 991191026 /nfs/dbraw/zinc/19/10/26/991191026.db2.gz OMQVUFGGFSCNFP-LJQANCHMSA-N 2 0 412.553 3.693 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1cccs1 ZINC000466079042 991254458 /nfs/dbraw/zinc/25/44/58/991254458.db2.gz OHUJHMBPZSHIGI-SVFBPWRDSA-N 2 0 404.624 3.791 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000466079417 991254794 /nfs/dbraw/zinc/25/47/94/991254794.db2.gz OWXHAXHIBKJWBA-TZIWHRDSSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466092817 991271948 /nfs/dbraw/zinc/27/19/48/991271948.db2.gz BDXMGADONLTMPP-TZIWHRDSSA-N 2 0 404.624 3.648 20 0 HHADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000466096578 991275067 /nfs/dbraw/zinc/27/50/67/991275067.db2.gz REEOFNZYBKEHGM-UHFFFAOYSA-N 2 0 414.516 3.653 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466248275 991484200 /nfs/dbraw/zinc/48/42/00/991484200.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 2 0 420.601 3.513 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C[C@@H](C)O1 ZINC000466377251 991658780 /nfs/dbraw/zinc/65/87/80/991658780.db2.gz CQPXYZHIUBEBHJ-HZPDHXFCSA-N 2 0 404.352 3.743 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000466437288 991725869 /nfs/dbraw/zinc/72/58/69/991725869.db2.gz AEWVOCQNRBJSFX-GBXCKJPGSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000466720743 992032092 /nfs/dbraw/zinc/03/20/92/992032092.db2.gz BJPPLZJTYPENTI-ROUUACIJSA-N 2 0 410.002 3.729 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797706 992104421 /nfs/dbraw/zinc/10/44/21/992104421.db2.gz XICPTBNSZRPYIN-YKSBVNFPSA-N 2 0 408.590 3.501 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467083143 992388754 /nfs/dbraw/zinc/38/87/54/992388754.db2.gz GLLBFVJPSCIRRX-NRFANRHFSA-N 2 0 414.638 3.977 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467089121 992394779 /nfs/dbraw/zinc/39/47/79/992394779.db2.gz CDCCVLITFFGNTR-BWKNWUBXSA-N 2 0 422.617 3.891 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000467090969 992397486 /nfs/dbraw/zinc/39/74/86/992397486.db2.gz MQCALEFLTQLPCC-QHCPKHFHSA-N 2 0 400.611 3.588 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000467161083 992480365 /nfs/dbraw/zinc/48/03/65/992480365.db2.gz GQEIEFOWABGGDT-PMACEKPBSA-N 2 0 401.595 3.566 20 0 HHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000472136031 993189125 /nfs/dbraw/zinc/18/91/25/993189125.db2.gz GTPPGAZQQSRULD-UHFFFAOYSA-N 2 0 420.342 3.556 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000472146805 993201625 /nfs/dbraw/zinc/20/16/25/993201625.db2.gz BUQTUZBIZOEODU-HNNXBMFYSA-N 2 0 423.424 3.688 20 0 HHADRP Cc1c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cnn1-c1cc(C)ccc1C ZINC000480714528 993584244 /nfs/dbraw/zinc/58/42/44/993584244.db2.gz ZHSPBHYTIVQQPX-HXUWFJFHSA-N 2 0 418.589 3.795 20 0 HHADRP C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000480755212 993620766 /nfs/dbraw/zinc/62/07/66/993620766.db2.gz GCZKYSSCYHMONV-IBGZPJMESA-N 2 0 417.619 3.545 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783057 993650456 /nfs/dbraw/zinc/65/04/56/993650456.db2.gz YJEOKFGLVDHRAB-GJZUVCINSA-N 2 0 417.601 3.961 20 0 HHADRP COc1cc(F)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000480797802 993667072 /nfs/dbraw/zinc/66/70/72/993667072.db2.gz RNHOMIFEZLSWMK-XMSQKQJNSA-N 2 0 415.553 3.872 20 0 HHADRP CC(C)[NH+]1CCN(CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000472759447 993698366 /nfs/dbraw/zinc/69/83/66/993698366.db2.gz ZXSJKWMVURZYRQ-UHFFFAOYSA-N 2 0 420.645 3.810 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000480911987 993767852 /nfs/dbraw/zinc/76/78/52/993767852.db2.gz PKYRPLCJCVARQF-PMACEKPBSA-N 2 0 407.624 3.634 20 0 HHADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000481024405 993868020 /nfs/dbraw/zinc/86/80/20/993868020.db2.gz YNAAXNGRXNRNNN-CYFREDJKSA-N 2 0 424.564 3.752 20 0 HHADRP Cc1ccc(C(F)(F)F)cc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000473049743 993970228 /nfs/dbraw/zinc/97/02/28/993970228.db2.gz SWXVBNASDGPHTQ-UHFFFAOYSA-N 2 0 421.467 3.743 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169752 994001029 /nfs/dbraw/zinc/00/10/29/994001029.db2.gz FQQVUSHWARUHAD-DWLFOUALSA-N 2 0 402.966 3.888 20 0 HHADRP O=C(CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000481191078 994023135 /nfs/dbraw/zinc/02/31/35/994023135.db2.gz NSWZPYMJFJIQHV-GOTSBHOMSA-N 2 0 406.574 3.511 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000481237819 994066631 /nfs/dbraw/zinc/06/66/31/994066631.db2.gz CNRJJDBUFVXHJB-IBGZPJMESA-N 2 0 424.593 3.558 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)c2)CC1 ZINC000481461587 994296928 /nfs/dbraw/zinc/29/69/28/994296928.db2.gz FPXPXPFLKXCQCB-UHFFFAOYSA-N 2 0 413.610 3.619 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481547714 994379977 /nfs/dbraw/zinc/37/99/77/994379977.db2.gz TXXMYSNNIXNOIV-GOSISDBHSA-N 2 0 401.576 3.621 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000481584488 994427215 /nfs/dbraw/zinc/42/72/15/994427215.db2.gz TVODICDFGYITSG-GGAORHGYSA-N 2 0 418.622 3.778 20 0 HHADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915205 994786864 /nfs/dbraw/zinc/78/68/64/994786864.db2.gz LMQSJINTAFCPMI-LPHOPBHVSA-N 2 0 416.031 3.801 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000481924370 994796323 /nfs/dbraw/zinc/79/63/23/994796323.db2.gz PLEXERXCFTYFSM-XZOQPEGZSA-N 2 0 408.546 3.856 20 0 HHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000481928369 994800089 /nfs/dbraw/zinc/80/00/89/994800089.db2.gz RIEBMANLLCOTMM-GOSISDBHSA-N 2 0 406.496 3.833 20 0 HHADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481934411 994807299 /nfs/dbraw/zinc/80/72/99/994807299.db2.gz RQWBPYPUDXPTTA-LJQANCHMSA-N 2 0 409.983 3.551 20 0 HHADRP CCN(C(=O)NCCC1CC[NH+](CC)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474027651 995019343 /nfs/dbraw/zinc/01/93/43/995019343.db2.gz JJKCZYMYLVLEJM-REWPJTCUSA-N 2 0 400.611 3.975 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C(=O)OC)ccc3Cl)cc2)CC1 ZINC000482154439 995108193 /nfs/dbraw/zinc/10/81/93/995108193.db2.gz SUZHESRQBSOVCP-UHFFFAOYSA-N 2 0 415.965 3.554 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000482234585 995217556 /nfs/dbraw/zinc/21/75/56/995217556.db2.gz NIUCXQKDRZMNFM-IBGZPJMESA-N 2 0 402.542 3.891 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1SC ZINC000482253616 995232844 /nfs/dbraw/zinc/23/28/44/995232844.db2.gz GTSARMQGTDJNAT-MRXNPFEDSA-N 2 0 401.576 3.559 20 0 HHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482450526 995450062 /nfs/dbraw/zinc/45/00/62/995450062.db2.gz JTTKAOCPKAQGQI-SFHVURJKSA-N 2 0 417.985 3.782 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474557004 995521896 /nfs/dbraw/zinc/52/18/96/995521896.db2.gz JZAHXLXZJGBXMV-FRVUEHSBSA-N 2 0 422.976 3.788 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000482542099 995550439 /nfs/dbraw/zinc/55/04/39/995550439.db2.gz FVJHCBHMFBYQMF-GOSISDBHSA-N 2 0 418.029 3.796 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587137 995589937 /nfs/dbraw/zinc/58/99/37/995589937.db2.gz XLCYJDGIHWOMAF-AKFKNWHVSA-N 2 0 410.606 3.699 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000474661375 995607934 /nfs/dbraw/zinc/60/79/34/995607934.db2.gz NAPDEQWJOQXAAH-ACBHZAAOSA-N 2 0 412.500 3.624 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)C1 ZINC000482630789 995624269 /nfs/dbraw/zinc/62/42/69/995624269.db2.gz MTZLFAWPSYUBOZ-GHTZIAJQSA-N 2 0 413.562 3.850 20 0 HHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633335 995627153 /nfs/dbraw/zinc/62/71/53/995627153.db2.gz QHTHYRFSUVYDTR-LADGPHEKSA-N 2 0 411.565 3.880 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(-n2cnnn2)cc1 ZINC000482633160 995627215 /nfs/dbraw/zinc/62/72/15/995627215.db2.gz RJKHYBIMRUQRRQ-QGZVFWFLSA-N 2 0 410.953 3.879 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000474725447 995660831 /nfs/dbraw/zinc/66/08/31/995660831.db2.gz YUZIESRILWVIIX-IRXDYDNUSA-N 2 0 410.587 3.870 20 0 HHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000482871115 995806268 /nfs/dbraw/zinc/80/62/68/995806268.db2.gz HKRMRJKBVYCIIO-MRXNPFEDSA-N 2 0 400.592 3.712 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000482887874 995819346 /nfs/dbraw/zinc/81/93/46/995819346.db2.gz LHVMTGPFMWAHPP-MSYCTHLASA-N 2 0 409.565 3.656 20 0 HHADRP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475001699 995857888 /nfs/dbraw/zinc/85/78/88/995857888.db2.gz XJBGQPFJKXNNEJ-JOCHJYFZSA-N 2 0 410.562 3.755 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)c1ccccc1 ZINC000475030195 995881649 /nfs/dbraw/zinc/88/16/49/995881649.db2.gz RAMTTWMTEPKUII-IBGZPJMESA-N 2 0 418.379 3.693 20 0 HHADRP CC[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000475138407 995947369 /nfs/dbraw/zinc/94/73/69/995947369.db2.gz KQSNZQKETFPKCI-HSZRJFAPSA-N 2 0 412.622 3.920 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138458 995947451 /nfs/dbraw/zinc/94/74/51/995947451.db2.gz MLIZMMOEKFRURD-NTKDMRAZSA-N 2 0 402.542 3.818 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000483125101 995990631 /nfs/dbraw/zinc/99/06/31/995990631.db2.gz RHIIIDGVLCXHAX-QFIPXVFZSA-N 2 0 409.549 3.704 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000483132974 995994432 /nfs/dbraw/zinc/99/44/32/995994432.db2.gz XNUUOUVWTIHNFH-KRWDZBQOSA-N 2 0 421.582 3.769 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475224630 996007955 /nfs/dbraw/zinc/00/79/55/996007955.db2.gz OOFSBVIFKWIGLL-ICSRJNTNSA-N 2 0 411.546 3.533 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475290195 996048080 /nfs/dbraw/zinc/04/80/80/996048080.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 2 0 420.601 3.813 20 0 HHADRP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462853 996196209 /nfs/dbraw/zinc/19/62/09/996196209.db2.gz BALXCVUHDGDPNC-UNMCSNQZSA-N 2 0 421.541 3.730 20 0 HHADRP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462850 996196270 /nfs/dbraw/zinc/19/62/70/996196270.db2.gz BALXCVUHDGDPNC-IFMALSPDSA-N 2 0 421.541 3.730 20 0 HHADRP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000483462851 996196424 /nfs/dbraw/zinc/19/64/24/996196424.db2.gz BALXCVUHDGDPNC-IRLDBZIGSA-N 2 0 421.541 3.730 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483487563 996212999 /nfs/dbraw/zinc/21/29/99/996212999.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 2 0 424.585 3.559 20 0 HHADRP COc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1OC(F)F ZINC000483538928 996239402 /nfs/dbraw/zinc/23/94/02/996239402.db2.gz AJUJINRKCFOEDR-KRWDZBQOSA-N 2 0 411.537 3.898 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483568978 996256705 /nfs/dbraw/zinc/25/67/05/996256705.db2.gz SCXKQQWIOPKJTN-UPVQGACJSA-N 2 0 421.585 3.754 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000483614287 996286523 /nfs/dbraw/zinc/28/65/23/996286523.db2.gz IUFWGMQTRGSCCK-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639074 996301802 /nfs/dbraw/zinc/30/18/02/996301802.db2.gz OAUSQKSRQZILDM-HXUWFJFHSA-N 2 0 400.611 3.554 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000483829225 996413780 /nfs/dbraw/zinc/41/37/80/996413780.db2.gz LGTWISPOUVEMDY-HXUWFJFHSA-N 2 0 410.672 3.549 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483834890 996417047 /nfs/dbraw/zinc/41/70/47/996417047.db2.gz KWJNCKUAQHBDOD-ZWOKBUDYSA-N 2 0 413.400 3.943 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483894103 996454002 /nfs/dbraw/zinc/45/40/02/996454002.db2.gz GPZPUXKAEQAHMR-NRFANRHFSA-N 2 0 416.635 3.618 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000483990275 996509114 /nfs/dbraw/zinc/50/91/14/996509114.db2.gz XBXSBQJGLHYUNT-UHFFFAOYSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cnn(Cc2ccccc2)c1 ZINC000484470795 996791417 /nfs/dbraw/zinc/79/14/17/996791417.db2.gz FWBDLAVJXPWNMA-HXUWFJFHSA-N 2 0 404.558 3.739 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)[C@@H](C)c1ccccc1 ZINC000484484762 996806239 /nfs/dbraw/zinc/80/62/39/996806239.db2.gz OHHLOLUFXPNRBM-AQNXPRMDSA-N 2 0 417.619 3.759 20 0 HHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493284 996816985 /nfs/dbraw/zinc/81/69/85/996816985.db2.gz BWOSRWMOIDNUNL-QRVBRYPASA-N 2 0 415.603 3.865 20 0 HHADRP Cc1nc2cc(F)c(F)cc2n1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000476500087 996986347 /nfs/dbraw/zinc/98/63/47/996986347.db2.gz MYLCXEXVFMIDGB-UHFFFAOYSA-N 2 0 404.505 3.782 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000476877489 997456778 /nfs/dbraw/zinc/45/67/78/997456778.db2.gz GBOLUNZRUCOWKQ-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485097707 997474289 /nfs/dbraw/zinc/47/42/89/997474289.db2.gz YVOLXTWAQXKDAS-OYRHEFFESA-N 2 0 401.595 3.843 20 0 HHADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000476924150 997536904 /nfs/dbraw/zinc/53/69/04/997536904.db2.gz FESKDBVLXFELGQ-UWJYYQICSA-N 2 0 404.986 3.573 20 0 HHADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476970223 997588325 /nfs/dbraw/zinc/58/83/25/997588325.db2.gz HPFJQQOUZZLPNC-FQEVSTJZSA-N 2 0 401.595 3.630 20 0 HHADRP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476983142 997605637 /nfs/dbraw/zinc/60/56/37/997605637.db2.gz KNKCHTVWUSLBNN-ZRCGQRJVSA-N 2 0 413.606 3.991 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000485292013 997694100 /nfs/dbraw/zinc/69/41/00/997694100.db2.gz RQJQZFOYMGOVMN-KZTDQWPFSA-N 2 0 412.622 3.790 20 0 HHADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000485397709 997826747 /nfs/dbraw/zinc/82/67/47/997826747.db2.gz BHUQNQDVNQAAPV-WZONZLPQSA-N 2 0 418.528 3.705 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485399169 997828740 /nfs/dbraw/zinc/82/87/40/997828740.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 2 0 420.601 3.645 20 0 HHADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485410177 997842825 /nfs/dbraw/zinc/84/28/25/997842825.db2.gz STIOIJGEFOKHCT-BGYRXZFFSA-N 2 0 417.594 3.625 20 0 HHADRP O[C@@H](COCc1cccs1)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485482259 997934898 /nfs/dbraw/zinc/93/48/98/997934898.db2.gz SCSSUXBWJUKUKD-OAQYLSRUSA-N 2 0 400.588 3.614 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485486406 997939026 /nfs/dbraw/zinc/93/90/26/997939026.db2.gz CKAHXRPJYZHPIA-ZEQRLZLVSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000485587439 998035257 /nfs/dbraw/zinc/03/52/57/998035257.db2.gz HGRORZRYTVTUKC-UHFFFAOYSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000477377465 998065204 /nfs/dbraw/zinc/06/52/04/998065204.db2.gz GZZURWNSSVKMJC-GGAORHGYSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111580 998558921 /nfs/dbraw/zinc/55/89/21/998558921.db2.gz RSJFWCVVKHAISS-NQIIRXRSSA-N 2 0 404.624 3.791 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000486214195 998651652 /nfs/dbraw/zinc/65/16/52/998651652.db2.gz LKOFRUGOACVGIN-JMJGKCIBSA-N 2 0 400.611 3.878 20 0 HHADRP C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486300520 998702006 /nfs/dbraw/zinc/70/20/06/998702006.db2.gz TXUTVTMWJREHBU-JTOYRKQZSA-N 2 0 414.638 3.954 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478293524 998869891 /nfs/dbraw/zinc/86/98/91/998869891.db2.gz ZHJICLAAGMJKQA-GOSISDBHSA-N 2 0 418.029 3.939 20 0 HHADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000487094720 999061035 /nfs/dbraw/zinc/06/10/35/999061035.db2.gz RDEZUHXKGDOYOV-MGPUTAFESA-N 2 0 404.505 3.607 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478728850 999111162 /nfs/dbraw/zinc/11/11/62/999111162.db2.gz YKODZBWJEFXKQF-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000478738052 999115869 /nfs/dbraw/zinc/11/58/69/999115869.db2.gz JJFWRGAIXQAEMY-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000478757905 999125435 /nfs/dbraw/zinc/12/54/35/999125435.db2.gz DIDKBJUXFZQMTG-UHFFFAOYSA-N 2 0 424.589 3.564 20 0 HHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(F)ccc1F ZINC000479080041 999284548 /nfs/dbraw/zinc/28/45/48/999284548.db2.gz NECKOLDCFUCGPT-NRFANRHFSA-N 2 0 403.521 3.644 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479253963 999349043 /nfs/dbraw/zinc/34/90/43/999349043.db2.gz MXWRFJVORMRSSY-OAQYLSRUSA-N 2 0 403.364 3.832 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014265 999349084 /nfs/dbraw/zinc/34/90/84/999349084.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 2 0 406.574 3.642 20 0 HHADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479282305 999363376 /nfs/dbraw/zinc/36/33/76/999363376.db2.gz IJHOWUJCIOIQAS-QWHCGFSZSA-N 2 0 408.306 3.754 20 0 HHADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000479282306 999363455 /nfs/dbraw/zinc/36/34/55/999363455.db2.gz IJHOWUJCIOIQAS-STQMWFEESA-N 2 0 408.306 3.754 20 0 HHADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488327455 999442001 /nfs/dbraw/zinc/44/20/01/999442001.db2.gz SVQKORULKDBKGH-KRWDZBQOSA-N 2 0 422.411 3.604 20 0 HHADRP CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488546461 999523567 /nfs/dbraw/zinc/52/35/67/999523567.db2.gz KWHSTCZKSRKKJX-COPCDDAFSA-N 2 0 420.548 3.758 20 0 HHADRP c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000488586736 999536761 /nfs/dbraw/zinc/53/67/61/999536761.db2.gz LZDARTFBWPOIQV-CLJLJLNGSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084129 999712710 /nfs/dbraw/zinc/71/27/10/999712710.db2.gz JBCHWHGXEIDUHI-DCEDVJGZSA-N 2 0 411.565 3.699 20 0 HHADRP c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260068 999732157 /nfs/dbraw/zinc/73/21/57/999732157.db2.gz VYACXFBCGKKLGW-UIOOFZCWSA-N 2 0 410.650 3.522 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000480165063 999734805 /nfs/dbraw/zinc/73/48/05/999734805.db2.gz HPHXKPQMDANXJK-HSZRJFAPSA-N 2 0 409.574 3.990 20 0 HHADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278575 999735674 /nfs/dbraw/zinc/73/56/74/999735674.db2.gz RSIUXSUAPYAVFP-RPWUZVMVSA-N 2 0 424.589 3.743 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000489407765 999760683 /nfs/dbraw/zinc/76/06/83/999760683.db2.gz UUJMPHAZBFERBF-HYBUGGRVSA-N 2 0 408.590 3.848 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)c(F)c1 ZINC000489498034 999778760 /nfs/dbraw/zinc/77/87/60/999778760.db2.gz OCSNWKWWEHBIPW-CQSZACIVSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000489498772 999778926 /nfs/dbraw/zinc/77/89/26/999778926.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 2 0 420.601 3.645 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528179 999784862 /nfs/dbraw/zinc/78/48/62/999784862.db2.gz HGMBSHLVSRGCFK-GGAORHGYSA-N 2 0 400.611 3.852 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480391855 999787869 /nfs/dbraw/zinc/78/78/69/999787869.db2.gz WPCSTPUCKBRJRI-UHFFFAOYSA-N 2 0 419.516 3.941 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480450402 999802027 /nfs/dbraw/zinc/80/20/27/999802027.db2.gz UDHCIIUVDAUCBD-SFHVURJKSA-N 2 0 403.592 3.630 20 0 HHADRP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000489631555 999806248 /nfs/dbraw/zinc/80/62/48/999806248.db2.gz NOONBRUSYDAYGF-OAQYLSRUSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000489742532 999829139 /nfs/dbraw/zinc/82/91/39/999829139.db2.gz JGPRSOLCMDPXPT-OJKLRCKNSA-N 2 0 412.622 3.659 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618621 999842512 /nfs/dbraw/zinc/84/25/12/999842512.db2.gz WOTVTRFBWBXJEN-ZIAGYGMSSA-N 2 0 407.452 3.566 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480622557 999843517 /nfs/dbraw/zinc/84/35/17/999843517.db2.gz VOTCSUAINFPGTA-YLJYHZDGSA-N 2 0 414.619 3.812 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824318 999844476 /nfs/dbraw/zinc/84/44/76/999844476.db2.gz DTSHLMMJLFOLCI-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489824934 999844723 /nfs/dbraw/zinc/84/47/23/999844723.db2.gz DLPUKDPUEDAESA-KHUIQGCPSA-N 2 0 414.638 3.954 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489824933 999844739 /nfs/dbraw/zinc/84/47/39/999844739.db2.gz DLPUKDPUEDAESA-JTOYRKQZSA-N 2 0 414.638 3.954 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000489832464 999845974 /nfs/dbraw/zinc/84/59/74/999845974.db2.gz CDCSIFVKKZYODP-DHLKQENFSA-N 2 0 422.617 3.979 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000480635528 999846973 /nfs/dbraw/zinc/84/69/73/999846973.db2.gz ATHFDSCCNDPMAU-RBUKOAKNSA-N 2 0 415.603 3.820 20 0 HHADRP COc1cccc(C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)c1 ZINC000480694129 999861142 /nfs/dbraw/zinc/86/11/42/999861142.db2.gz LJZCYCATANGQQT-VWLOTQADSA-N 2 0 416.569 3.916 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695399 999861503 /nfs/dbraw/zinc/86/15/03/999861503.db2.gz JOSDBVHEBRKZET-ZCNNSNEGSA-N 2 0 404.562 3.991 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480712231 999865600 /nfs/dbraw/zinc/86/56/00/999865600.db2.gz IROSPFDBQZRRLF-NRFANRHFSA-N 2 0 401.595 3.678 20 0 HHADRP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1 ZINC000490056903 999886500 /nfs/dbraw/zinc/88/65/00/999886500.db2.gz IGKONGGIVSTFRS-JTHBVZDNSA-N 2 0 407.558 3.784 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000490088276 999891267 /nfs/dbraw/zinc/89/12/67/999891267.db2.gz LAHZFEUWHXIBSN-BJKOFHAPSA-N 2 0 422.573 3.534 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000490124238 999896477 /nfs/dbraw/zinc/89/64/77/999896477.db2.gz JIDNAXCGKVOYGM-XMMPIXPASA-N 2 0 409.574 3.990 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490124849 999896739 /nfs/dbraw/zinc/89/67/39/999896739.db2.gz LTCVRCXKNVTOEC-JOCHJYFZSA-N 2 0 403.517 3.995 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256223 999923142 /nfs/dbraw/zinc/92/31/42/999923142.db2.gz XFVWMXDMCTUUSM-NFBKMPQASA-N 2 0 424.589 3.652 20 0 HHADRP c1ccc(CN2CCO[C@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396404 999950747 /nfs/dbraw/zinc/95/07/47/999950747.db2.gz GDROVSJNKPGUPG-QFIPXVFZSA-N 2 0 404.514 3.906 20 0 HHADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769787 1000003661 /nfs/dbraw/zinc/00/36/61/1000003661.db2.gz NPJACZVZXFHJED-TUSQITKMSA-N 2 0 405.586 3.925 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491027253 1000035824 /nfs/dbraw/zinc/03/58/24/1000035824.db2.gz JEBCIDVNWDTFMF-GMAHTHKFSA-N 2 0 405.586 3.804 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000491052973 1000039608 /nfs/dbraw/zinc/03/96/08/1000039608.db2.gz RPOKHAXNMLTWDQ-QFIPXVFZSA-N 2 0 409.574 3.611 20 0 HHADRP Brc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000491066270 1000041774 /nfs/dbraw/zinc/04/17/74/1000041774.db2.gz NGENSPBMBKBUDU-UHFFFAOYSA-N 2 0 404.352 3.542 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000491082488 1000043635 /nfs/dbraw/zinc/04/36/35/1000043635.db2.gz WOTBZWQZZMTLDF-XXBNENTESA-N 2 0 416.610 3.592 20 0 HHADRP CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)CC1 ZINC000491447824 1000075830 /nfs/dbraw/zinc/07/58/30/1000075830.db2.gz RAUAQQNBQSSPPX-UHFFFAOYSA-N 2 0 416.614 3.514 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000491755632 1000094037 /nfs/dbraw/zinc/09/40/37/1000094037.db2.gz FEJCTQSVEIERJZ-FQEVSTJZSA-N 2 0 402.583 3.603 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491761239 1000094368 /nfs/dbraw/zinc/09/43/68/1000094368.db2.gz XYVKIZWONCOYBS-FQEVSTJZSA-N 2 0 402.583 3.747 20 0 HHADRP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043717 1000106532 /nfs/dbraw/zinc/10/65/32/1000106532.db2.gz ODQKYHVPXFCZEC-IRLDBZIGSA-N 2 0 424.589 3.968 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000492912391 1000149165 /nfs/dbraw/zinc/14/91/65/1000149165.db2.gz OQCNUSPYKSQWBR-UHFFFAOYSA-N 2 0 418.010 3.786 20 0 HHADRP COc1ccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)cc1 ZINC000504484101 1000228485 /nfs/dbraw/zinc/22/84/85/1000228485.db2.gz PJUBZFGRWGDTJB-HSZRJFAPSA-N 2 0 421.585 3.574 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1)C(C)C ZINC000504660827 1000313746 /nfs/dbraw/zinc/31/37/46/1000313746.db2.gz CJQQEIUADOFTQQ-FGZHOGPDSA-N 2 0 414.638 3.548 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000504870351 1000416209 /nfs/dbraw/zinc/41/62/09/1000416209.db2.gz RPHFKFGVKKPKKY-FQEVSTJZSA-N 2 0 408.590 3.774 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504876403 1000420800 /nfs/dbraw/zinc/42/08/00/1000420800.db2.gz OHYXXNNYNKQUGG-JOCHJYFZSA-N 2 0 421.589 3.533 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504882910 1000425531 /nfs/dbraw/zinc/42/55/31/1000425531.db2.gz QNPBVUIUFUIYMC-QFIPXVFZSA-N 2 0 421.589 3.615 20 0 HHADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504883676 1000426432 /nfs/dbraw/zinc/42/64/32/1000426432.db2.gz WBTZRJIFCWMAQG-DNQXCXABSA-N 2 0 406.574 3.787 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504935349 1000457161 /nfs/dbraw/zinc/45/71/61/1000457161.db2.gz DULVKRARIFYMOU-XMMPIXPASA-N 2 0 406.574 3.615 20 0 HHADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494566740 1000557655 /nfs/dbraw/zinc/55/76/55/1000557655.db2.gz WUDRZKWEMOIAEU-QPPBQGQZSA-N 2 0 415.622 3.542 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000505272111 1000661076 /nfs/dbraw/zinc/66/10/76/1000661076.db2.gz ONXSUPDSUNWMOY-UHFFFAOYSA-N 2 0 412.622 3.557 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495075421 1000815267 /nfs/dbraw/zinc/81/52/67/1000815267.db2.gz QZTAHTWCDCIHTN-MSOLQXFVSA-N 2 0 412.553 3.691 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605659 1000930906 /nfs/dbraw/zinc/93/09/06/1000930906.db2.gz HPSHFVTXTCRMHO-RDPSFJRHSA-N 2 0 408.590 3.638 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766049 1001012219 /nfs/dbraw/zinc/01/22/19/1001012219.db2.gz KTBPNLWBGGHXNR-REWPJTCUSA-N 2 0 412.603 3.658 20 0 HHADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505891255 1001083768 /nfs/dbraw/zinc/08/37/68/1001083768.db2.gz IVNSOTLKIZTNBE-FCHUYYIVSA-N 2 0 413.512 3.535 20 0 HHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506006806 1001158293 /nfs/dbraw/zinc/15/82/93/1001158293.db2.gz IMGHEVMXCAFYGM-HXUWFJFHSA-N 2 0 401.595 3.961 20 0 HHADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052052 1001193088 /nfs/dbraw/zinc/19/30/88/1001193088.db2.gz QLGNIOOLUNYKEM-SFHVURJKSA-N 2 0 407.986 3.800 20 0 HHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245942 1001304217 /nfs/dbraw/zinc/30/42/17/1001304217.db2.gz CMJAIJDILCSDJW-QFIPXVFZSA-N 2 0 406.574 3.679 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497496297 1001401873 /nfs/dbraw/zinc/40/18/73/1001401873.db2.gz YNVXAQULRAJUEX-NSISKUIASA-N 2 0 424.511 3.548 20 0 HHADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470534 1001426770 /nfs/dbraw/zinc/42/67/70/1001426770.db2.gz SIFURNFRHVISOO-IRLDBZIGSA-N 2 0 413.537 3.892 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497566403 1001438600 /nfs/dbraw/zinc/43/86/00/1001438600.db2.gz RSYSWMSPRIAVQR-YKSBVNFPSA-N 2 0 412.622 3.993 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497612128 1001458329 /nfs/dbraw/zinc/45/83/29/1001458329.db2.gz RUCWILATIUDCQG-ADHNFCLRSA-N 2 0 400.611 3.878 20 0 HHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497612136 1001458730 /nfs/dbraw/zinc/45/87/30/1001458730.db2.gz RUCWILATIUDCQG-MLDBQTBOSA-N 2 0 400.611 3.878 20 0 HHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619829 1001461223 /nfs/dbraw/zinc/46/12/23/1001461223.db2.gz FCQNASNNQFEELN-IRLDBZIGSA-N 2 0 419.013 3.678 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000497633221 1001466175 /nfs/dbraw/zinc/46/61/75/1001466175.db2.gz LNQRPVIESVROMO-WZONZLPQSA-N 2 0 412.553 3.953 20 0 HHADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000497865835 1001542179 /nfs/dbraw/zinc/54/21/79/1001542179.db2.gz BCYFQPIDVYQJGG-JOCHJYFZSA-N 2 0 403.574 3.774 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022095 1001609080 /nfs/dbraw/zinc/60/90/80/1001609080.db2.gz CVAUQBPTLKHQJK-CUWPLCDZSA-N 2 0 418.582 3.872 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH+]3CCCC[C@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000498114143 1001646726 /nfs/dbraw/zinc/64/67/26/1001646726.db2.gz LNXVNUNFPFQFLJ-SXSPYAJSSA-N 2 0 414.594 3.537 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1Cl ZINC000498136166 1001657367 /nfs/dbraw/zinc/65/73/67/1001657367.db2.gz JZBOVPUTWAPZTD-DUXKGJEZSA-N 2 0 407.002 3.849 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273538 1001747691 /nfs/dbraw/zinc/74/76/91/1001747691.db2.gz CSZYWEGCWSKZOF-XWDORNJCSA-N 2 0 422.976 3.598 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000498454208 1001881095 /nfs/dbraw/zinc/88/10/95/1001881095.db2.gz UNRAJQCXPHBZKU-UHFFFAOYSA-N 2 0 413.587 3.565 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000498555056 1001970032 /nfs/dbraw/zinc/97/00/32/1001970032.db2.gz NYJTZPHSYUZCEI-XZOQPEGZSA-N 2 0 414.594 3.585 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303952 1001985520 /nfs/dbraw/zinc/98/55/20/1001985520.db2.gz KGLCLOHFRGWBQX-PWHSHALESA-N 2 0 401.599 3.619 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000507452388 1002078830 /nfs/dbraw/zinc/07/88/30/1002078830.db2.gz WTXXXWZORINLIZ-CQSZACIVSA-N 2 0 406.372 3.721 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707382 1002091449 /nfs/dbraw/zinc/09/14/49/1002091449.db2.gz SXPBGXJDCSFFKA-XUZZJYLKSA-N 2 0 408.590 3.670 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(OC5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000507511193 1002121626 /nfs/dbraw/zinc/12/16/26/1002121626.db2.gz OBWKRNYSDGLELH-QPTUXGOLSA-N 2 0 407.558 3.640 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507518347 1002128355 /nfs/dbraw/zinc/12/83/55/1002128355.db2.gz CPWSJIYBEHIKLD-AGILITTLSA-N 2 0 417.553 3.563 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c(OCC)c2)CC1 ZINC000507593368 1002199291 /nfs/dbraw/zinc/19/92/91/1002199291.db2.gz LTUNSOSMQKROJM-HXUWFJFHSA-N 2 0 416.610 3.820 20 0 HHADRP C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000507601869 1002208775 /nfs/dbraw/zinc/20/87/75/1002208775.db2.gz AQHBMDBURYNSAF-UTKZUKDTSA-N 2 0 423.536 3.690 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898943 1002289765 /nfs/dbraw/zinc/28/97/65/1002289765.db2.gz UCTVBKURGSOSKR-LEOXJPRUSA-N 2 0 412.553 3.781 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114492 1002504024 /nfs/dbraw/zinc/50/40/24/1002504024.db2.gz XVFJKMLFMYZYNP-SEIRJHJZSA-N 2 0 412.578 3.919 20 0 HHADRP c1csc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141844 1002526465 /nfs/dbraw/zinc/52/64/65/1002526465.db2.gz NLWZFCUGVHOHCD-BXXSPATCSA-N 2 0 411.615 3.907 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)C1 ZINC000508047657 1002570077 /nfs/dbraw/zinc/57/00/77/1002570077.db2.gz AXRRHQCQXJDAMT-PMACEKPBSA-N 2 0 400.611 3.696 20 0 HHADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)(N2CCCCC2)CC1 ZINC000499257147 1002656970 /nfs/dbraw/zinc/65/69/70/1002656970.db2.gz TZHOBZSUSHNNMC-QEIWAGNOSA-N 3 0 410.650 3.722 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000508187603 1002722900 /nfs/dbraw/zinc/72/29/00/1002722900.db2.gz PNIOEYKRTOEGSF-PMACEKPBSA-N 2 0 400.611 3.648 20 0 HHADRP CCC1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000508256188 1002776596 /nfs/dbraw/zinc/77/65/96/1002776596.db2.gz CAABNDQUAKRJSA-UHFFFAOYSA-N 2 0 400.611 3.710 20 0 HHADRP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690314 1003127925 /nfs/dbraw/zinc/12/79/25/1003127925.db2.gz JNIFAZFASUOBDH-YKSBVNFPSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698064 1003135556 /nfs/dbraw/zinc/13/55/56/1003135556.db2.gz NLTDMMLIAZHKGC-APTRMMRNSA-N 2 0 407.558 3.804 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713099 1003151789 /nfs/dbraw/zinc/15/17/89/1003151789.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 2 0 411.590 3.807 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722344 1003162528 /nfs/dbraw/zinc/16/25/28/1003162528.db2.gz SCBSUDPQPJYUAW-GIFXNVAJSA-N 2 0 406.618 3.697 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722286 1003162588 /nfs/dbraw/zinc/16/25/88/1003162588.db2.gz XBPUZPKKHFTBIO-CVJWPJSTSA-N 2 0 423.601 3.569 20 0 HHADRP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722343 1003162697 /nfs/dbraw/zinc/16/26/97/1003162697.db2.gz SCBSUDPQPJYUAW-CUYJMHBOSA-N 2 0 406.618 3.697 20 0 HHADRP Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884564 1003220258 /nfs/dbraw/zinc/22/02/58/1003220258.db2.gz CUOJBKAYTCAVPQ-VQTJNVASSA-N 2 0 424.593 3.585 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000499966941 1003286191 /nfs/dbraw/zinc/28/61/91/1003286191.db2.gz DMTWLZSHDDWSCM-NOZRDPDXSA-N 2 0 412.622 3.662 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000508882999 1003305836 /nfs/dbraw/zinc/30/58/36/1003305836.db2.gz SMDQJZLHACLKML-NZQKXSOJSA-N 2 0 418.626 3.519 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508899038 1003331059 /nfs/dbraw/zinc/33/10/59/1003331059.db2.gz SIEVQNJLFGRFLR-VGSWGCGISA-N 2 0 418.532 3.729 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+](C)C ZINC000508903858 1003341892 /nfs/dbraw/zinc/34/18/92/1003341892.db2.gz YHYVZZHZTUXBJV-GHTZIAJQSA-N 2 0 402.608 3.821 20 0 HHADRP C[C@H](Sc1ccccc1Cl)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500044061 1003376155 /nfs/dbraw/zinc/37/61/55/1003376155.db2.gz YLKOLKSECIHBFF-KRWDZBQOSA-N 2 0 418.994 3.544 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000500090121 1003450037 /nfs/dbraw/zinc/45/00/37/1003450037.db2.gz QGDINFINHXUDKM-UEXGIBASSA-N 2 0 413.566 3.629 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109756 1003472508 /nfs/dbraw/zinc/47/25/08/1003472508.db2.gz IWIFLAGTAMZMHY-REHUZNOOSA-N 2 0 421.589 3.569 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020030 1003492142 /nfs/dbraw/zinc/49/21/42/1003492142.db2.gz BHIOQPYHARNIQS-ZCYQVOJMSA-N 2 0 406.618 3.699 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000500131828 1003492727 /nfs/dbraw/zinc/49/27/27/1003492727.db2.gz NMGQWZQTCAOZJR-YYDVJCTNSA-N 2 0 409.578 3.598 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030061 1003500589 /nfs/dbraw/zinc/50/05/89/1003500589.db2.gz HHDAYWVVWWSMQI-RXVVDRJESA-N 2 0 407.002 3.850 20 0 HHADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180512 1003529533 /nfs/dbraw/zinc/52/95/33/1003529533.db2.gz HMILWAVNKMFFIE-VWLOTQADSA-N 2 0 405.586 3.914 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131926 1003575604 /nfs/dbraw/zinc/57/56/04/1003575604.db2.gz MBGOEUAMHYMKOC-CTNGQTDRSA-N 2 0 414.619 3.951 20 0 HHADRP CC(C)[NH2+]C1CCN(c2nc3ccccc3c(N3CCC([NH2+]C(C)C)CC3)n2)CC1 ZINC000500472985 1003736160 /nfs/dbraw/zinc/73/61/60/1003736160.db2.gz YUARJLZSJAWREU-UHFFFAOYSA-N 2 0 410.610 3.563 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000500606543 1003822818 /nfs/dbraw/zinc/82/28/18/1003822818.db2.gz JYVJKZHLHFQOED-BBHUYCHWSA-N 2 0 416.610 3.640 20 0 HHADRP FC(F)(F)CN1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000509468283 1003885368 /nfs/dbraw/zinc/88/53/68/1003885368.db2.gz CNNWDFLIGWLGFQ-UHFFFAOYSA-N 2 0 413.528 3.674 20 0 HHADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000509472992 1003887879 /nfs/dbraw/zinc/88/78/79/1003887879.db2.gz UPKPJHJZULQVSM-UHFFFAOYSA-N 2 0 403.364 3.910 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719441 1003919058 /nfs/dbraw/zinc/91/90/58/1003919058.db2.gz ZOCIKFPLSAABAN-OFNKIYASSA-N 2 0 421.589 3.775 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512088245 1004013659 /nfs/dbraw/zinc/01/36/59/1004013659.db2.gz NOQNFAVQZFBTFO-CHWSQXEVSA-N 2 0 407.365 3.595 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512104802 1004026357 /nfs/dbraw/zinc/02/63/57/1004026357.db2.gz JRELMPXRNLKGQM-NZQKXSOJSA-N 2 0 400.611 3.708 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512104804 1004026572 /nfs/dbraw/zinc/02/65/72/1004026572.db2.gz JRELMPXRNLKGQM-REWPJTCUSA-N 2 0 400.611 3.708 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000512115522 1004034352 /nfs/dbraw/zinc/03/43/52/1004034352.db2.gz XNUUKMGWXHQDPN-UHFFFAOYSA-N 2 0 424.545 3.640 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512139257 1004050593 /nfs/dbraw/zinc/05/05/93/1004050593.db2.gz KRXPJJFQQBQBSJ-NJYVYQBISA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C[C@@H](C)O1 ZINC000512183137 1004085446 /nfs/dbraw/zinc/08/54/46/1004085446.db2.gz UNWLVINLKYCQIM-QZTJIDSGSA-N 2 0 402.970 3.847 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000501030441 1004134439 /nfs/dbraw/zinc/13/44/39/1004134439.db2.gz CKPRCVRJBFQEQX-JOCHJYFZSA-N 2 0 419.013 3.994 20 0 HHADRP C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037586 1004140971 /nfs/dbraw/zinc/14/09/71/1004140971.db2.gz HAUNYYNAFVJDOU-UHFFFAOYSA-N 2 0 406.452 3.887 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247721 1004150218 /nfs/dbraw/zinc/15/02/18/1004150218.db2.gz AEHLCJOOMJCLCV-GOSISDBHSA-N 2 0 407.574 3.625 20 0 HHADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048913 1004150288 /nfs/dbraw/zinc/15/02/88/1004150288.db2.gz IKLBDEHYYGDUML-QGZVFWFLSA-N 2 0 416.516 3.728 20 0 HHADRP C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050657 1004152743 /nfs/dbraw/zinc/15/27/43/1004152743.db2.gz DYQXROJKMKFFRH-LJQANCHMSA-N 2 0 424.372 3.977 20 0 HHADRP CCCn1ccc2cc(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000509861830 1004157709 /nfs/dbraw/zinc/15/77/09/1004157709.db2.gz GDXKLSODEAJPFI-UHFFFAOYSA-N 2 0 420.561 3.780 20 0 HHADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501087631 1004193491 /nfs/dbraw/zinc/19/34/91/1004193491.db2.gz MJZXVFGPWKZGNN-QGZVFWFLSA-N 2 0 400.954 3.588 20 0 HHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512315026 1004210394 /nfs/dbraw/zinc/21/03/94/1004210394.db2.gz RJXRKRHKZLMFSM-RUZDIDTESA-N 2 0 405.586 3.519 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000512393809 1004267163 /nfs/dbraw/zinc/26/71/63/1004267163.db2.gz VYNVOJOFMCWRGE-YMPZKCBVSA-N 2 0 400.611 3.803 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000512402963 1004273615 /nfs/dbraw/zinc/27/36/15/1004273615.db2.gz BCDUYDFVQKISHX-RLBLXZPPSA-N 2 0 400.611 3.659 20 0 HHADRP C[C@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512407531 1004276066 /nfs/dbraw/zinc/27/60/66/1004276066.db2.gz WGHXOGZWYFMWON-GMAHTHKFSA-N 2 0 412.622 3.947 20 0 HHADRP c1ccc(CCOCCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512420591 1004286334 /nfs/dbraw/zinc/28/63/34/1004286334.db2.gz LXEATYPKISZVQS-AREMUKBSSA-N 2 0 407.602 3.528 20 0 HHADRP C[NH+](C)CC1(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CCCC1 ZINC000512511289 1004352283 /nfs/dbraw/zinc/35/22/83/1004352283.db2.gz FMXFTIVNQGZNTP-UHFFFAOYSA-N 2 0 422.013 3.858 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501386037 1004382088 /nfs/dbraw/zinc/38/20/88/1004382088.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 2 0 420.601 3.859 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501393195 1004388406 /nfs/dbraw/zinc/38/84/06/1004388406.db2.gz PDADTNJXFYERAH-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP C[N@H+](CCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000510227276 1004408377 /nfs/dbraw/zinc/40/83/77/1004408377.db2.gz HQJSGYNSYHSQHS-UHFFFAOYSA-N 2 0 422.617 3.859 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621626 1004435223 /nfs/dbraw/zinc/43/52/23/1004435223.db2.gz ZXMBMPZFAXLRMX-IEIRFRATSA-N 2 0 411.977 3.960 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000512648949 1004460214 /nfs/dbraw/zinc/46/02/14/1004460214.db2.gz RQWLBLYMGUYDNX-OAQYLSRUSA-N 2 0 414.638 3.591 20 0 HHADRP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648998 1004460237 /nfs/dbraw/zinc/46/02/37/1004460237.db2.gz PXGXUMGCMRXXMB-IEZKXTBUSA-N 2 0 407.558 3.914 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471852 /nfs/dbraw/zinc/47/18/52/1004471852.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 2 0 411.634 3.912 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510345316 1004496922 /nfs/dbraw/zinc/49/69/22/1004496922.db2.gz ZBYXZLFTEPYIGQ-IFMALSPDSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534267 1004497671 /nfs/dbraw/zinc/49/76/71/1004497671.db2.gz CTXOECNLZOABMX-PMACEKPBSA-N 2 0 406.574 3.986 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693163 1004499119 /nfs/dbraw/zinc/49/91/19/1004499119.db2.gz HKRGDGYUIVFUFX-ROUUACIJSA-N 2 0 422.564 3.691 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000512698706 1004503155 /nfs/dbraw/zinc/50/31/55/1004503155.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 2 0 412.622 3.945 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1ccsc1 ZINC000510366723 1004512836 /nfs/dbraw/zinc/51/28/36/1004512836.db2.gz IJQQEDHJIJSCCK-JOCHJYFZSA-N 2 0 414.619 3.703 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[NH+]2CCCC2)o1 ZINC000510388371 1004528843 /nfs/dbraw/zinc/52/88/43/1004528843.db2.gz GHSBEWHZQDYQBB-YADHBBJMSA-N 2 0 410.562 3.861 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000501606601 1004548404 /nfs/dbraw/zinc/54/84/04/1004548404.db2.gz MCAZYHBJIAKEJB-DEOSSOPVSA-N 2 0 406.574 3.811 20 0 HHADRP CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000510412409 1004548445 /nfs/dbraw/zinc/54/84/45/1004548445.db2.gz KAADDCFSFDNYBP-UHFFFAOYSA-N 2 0 414.638 3.688 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[NH+](C)C)cc1 ZINC000512831078 1004589417 /nfs/dbraw/zinc/58/94/17/1004589417.db2.gz FDALZVWVINZHLK-GGAORHGYSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510488145 1004606038 /nfs/dbraw/zinc/60/60/38/1004606038.db2.gz GNHJIOQUMHUWAI-IBGZPJMESA-N 2 0 400.567 3.704 20 0 HHADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512847109 1004609746 /nfs/dbraw/zinc/60/97/46/1004609746.db2.gz SWCSUPMLXZHRNY-IBGZPJMESA-N 2 0 414.516 3.509 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000510509485 1004631934 /nfs/dbraw/zinc/63/19/34/1004631934.db2.gz DLBLHANNDOCWJR-SIKLNZKXSA-N 2 0 400.611 3.981 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000512921528 1004694479 /nfs/dbraw/zinc/69/44/79/1004694479.db2.gz POZBDKIPDJKYES-HXUWFJFHSA-N 2 0 419.491 3.661 20 0 HHADRP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501790802 1004732950 /nfs/dbraw/zinc/73/29/50/1004732950.db2.gz OTXBLXRUUZYHQS-KRWDZBQOSA-N 2 0 424.427 3.850 20 0 HHADRP C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510595651 1004741697 /nfs/dbraw/zinc/74/16/97/1004741697.db2.gz GQSAZKBNZVSIED-VMDDHHINSA-N 2 0 404.643 3.982 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000501804425 1004746172 /nfs/dbraw/zinc/74/61/72/1004746172.db2.gz KSGMCFBPCISXCH-LJQANCHMSA-N 2 0 419.635 3.584 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000510649899 1004778697 /nfs/dbraw/zinc/77/86/97/1004778697.db2.gz IQMYPGQLDGNNCI-HXUWFJFHSA-N 2 0 416.363 3.518 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501857970 1004780563 /nfs/dbraw/zinc/78/05/63/1004780563.db2.gz MFHVPRGOCPXOIJ-RZPFDVGOSA-N 2 0 424.633 3.947 20 0 HHADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840551 1004885385 /nfs/dbraw/zinc/88/53/85/1004885385.db2.gz GAVKNYNPWHIWJQ-OAQYLSRUSA-N 2 0 401.501 3.887 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)CC1 ZINC000513460980 1004976486 /nfs/dbraw/zinc/97/64/86/1004976486.db2.gz JBTNJELJONHWML-OAQYLSRUSA-N 2 0 401.501 3.969 20 0 HHADRP C[NH+]1CCC2(CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000511008417 1004977721 /nfs/dbraw/zinc/97/77/21/1004977721.db2.gz DOGJIALDMKKSBI-UHFFFAOYSA-N 2 0 419.013 3.822 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)cc1 ZINC000513667726 1005074613 /nfs/dbraw/zinc/07/46/13/1005074613.db2.gz WCDWAZWECIQMCO-UHFFFAOYSA-N 2 0 409.574 3.910 20 0 HHADRP C[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230632 1005083271 /nfs/dbraw/zinc/08/32/71/1005083271.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 2 0 412.622 3.945 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246666 1005089661 /nfs/dbraw/zinc/08/96/61/1005089661.db2.gz HHMZEYIESWTZBK-CIAFKFPVSA-N 2 0 404.643 3.935 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511253641 1005093415 /nfs/dbraw/zinc/09/34/15/1005093415.db2.gz WPGGXNAQJDFYEK-WOJBJXKFSA-N 2 0 413.610 3.603 20 0 HHADRP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268192 1005099632 /nfs/dbraw/zinc/09/96/32/1005099632.db2.gz VOWKIQITSHKIMH-PZJWPPBQSA-N 2 0 413.610 3.592 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccco1 ZINC000502561473 1005119294 /nfs/dbraw/zinc/11/92/94/1005119294.db2.gz CKOXRNJDVCROOK-OAQYLSRUSA-N 2 0 404.599 3.960 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680496 1005177584 /nfs/dbraw/zinc/17/75/84/1005177584.db2.gz AOAGUDFHIRGHSG-WIYYLYMNSA-N 2 0 409.578 3.546 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000511520559 1005209308 /nfs/dbraw/zinc/20/93/08/1005209308.db2.gz LXULMQOKPBRTCY-QHCPKHFHSA-N 2 0 412.622 3.993 20 0 HHADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000514008841 1005225856 /nfs/dbraw/zinc/22/58/56/1005225856.db2.gz SPQHXRAHZDTFFR-UHFFFAOYSA-N 2 0 400.336 3.721 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000514030389 1005235156 /nfs/dbraw/zinc/23/51/56/1005235156.db2.gz FONNSEBIIDOZQR-UHFFFAOYSA-N 2 0 420.601 3.994 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000502829071 1005235627 /nfs/dbraw/zinc/23/56/27/1005235627.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 2 0 400.611 3.708 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000502840484 1005239926 /nfs/dbraw/zinc/23/99/26/1005239926.db2.gz HATVEBBLHSYZHK-IFMALSPDSA-N 2 0 416.610 3.786 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000502840487 1005240002 /nfs/dbraw/zinc/24/00/02/1005240002.db2.gz HATVEBBLHSYZHK-IRLDBZIGSA-N 2 0 416.610 3.786 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccccc3-n3ccnn3)CC2)c1 ZINC000514090705 1005260670 /nfs/dbraw/zinc/26/06/70/1005260670.db2.gz WHLXTYSYYCNWNX-JOCHJYFZSA-N 2 0 418.589 3.829 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270078 /nfs/dbraw/zinc/27/00/78/1005270078.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 2 0 400.611 3.879 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000514162452 1005294638 /nfs/dbraw/zinc/29/46/38/1005294638.db2.gz LQZLAKVOPXCQOC-IBGZPJMESA-N 2 0 414.516 3.872 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000514197195 1005307902 /nfs/dbraw/zinc/30/79/02/1005307902.db2.gz KQLUMEATRQJHQW-HSZRJFAPSA-N 2 0 412.553 3.640 20 0 HHADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000503052406 1005328848 /nfs/dbraw/zinc/32/88/48/1005328848.db2.gz KZALHNZCFZMBLE-RUZDIDTESA-N 2 0 407.602 3.895 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000503104794 1005348396 /nfs/dbraw/zinc/34/83/96/1005348396.db2.gz NNZGPOTYLKHJCZ-XMMPIXPASA-N 2 0 424.589 3.604 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000503200427 1005367177 /nfs/dbraw/zinc/36/71/77/1005367177.db2.gz VHHPFCWJYRMNCP-DNQXCXABSA-N 2 0 414.638 3.607 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000503282601 1005383191 /nfs/dbraw/zinc/38/31/91/1005383191.db2.gz KAHIVVMZUVXVMQ-ZWKOTPCHSA-N 2 0 400.394 3.829 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503466339 1005429069 /nfs/dbraw/zinc/42/90/69/1005429069.db2.gz STRYUALRAWNIKA-WOJBJXKFSA-N 2 0 400.611 3.696 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)C2)CC1 ZINC000503498477 1005437786 /nfs/dbraw/zinc/43/77/86/1005437786.db2.gz LYZZQMKPNIOQAB-UGKGYDQZSA-N 2 0 404.574 3.582 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503504854 1005439359 /nfs/dbraw/zinc/43/93/59/1005439359.db2.gz RXSZDTPGWWGBER-XZOQPEGZSA-N 2 0 424.589 3.670 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000503888724 1005505382 /nfs/dbraw/zinc/50/53/82/1005505382.db2.gz BOWZYKSWYRSFEO-GNLZIIPMSA-N 2 0 419.569 3.517 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000504174515 1005566774 /nfs/dbraw/zinc/56/67/74/1005566774.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 2 0 406.574 3.739 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000504435131 1005628197 /nfs/dbraw/zinc/62/81/97/1005628197.db2.gz HKUJTAUFHPWOHB-NRFANRHFSA-N 2 0 423.605 3.729 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(C(F)(F)F)c1 ZINC000531128254 1006007791 /nfs/dbraw/zinc/00/77/91/1006007791.db2.gz IDEOVPWIRUDLSD-PKOBYXMFSA-N 2 0 417.541 3.642 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000534058114 1006029796 /nfs/dbraw/zinc/02/97/96/1006029796.db2.gz PWJJPQHDFPLCCK-KBXCAEBGSA-N 2 0 401.776 3.916 20 0 HHADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514625470 1006057244 /nfs/dbraw/zinc/05/72/44/1006057244.db2.gz BXQNFFUMJUANAF-UHFFFAOYSA-N 2 0 423.479 3.855 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000514665274 1006074540 /nfs/dbraw/zinc/07/45/40/1006074540.db2.gz AZVGJLDVVMQVFL-YWZLYKJASA-N 2 0 419.411 3.923 20 0 HHADRP Ic1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000514723060 1006093151 /nfs/dbraw/zinc/09/31/51/1006093151.db2.gz SSAHXWZFMSWTLM-UHFFFAOYSA-N 2 0 407.299 3.692 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000514817555 1006149353 /nfs/dbraw/zinc/14/93/53/1006149353.db2.gz GCRPHPQZAYCPIB-XMERXJNXSA-N 2 0 421.585 3.618 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000531362784 1006150772 /nfs/dbraw/zinc/15/07/72/1006150772.db2.gz UJDKMYFYMTWWDA-KRWDZBQOSA-N 2 0 408.525 3.604 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000531442564 1006199383 /nfs/dbraw/zinc/19/93/83/1006199383.db2.gz IHSRIGMPLUQNCQ-UHFFFAOYSA-N 2 0 410.537 3.526 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534249340 1006256230 /nfs/dbraw/zinc/25/62/30/1006256230.db2.gz CYKDAIBWZORHQB-GHTZIAJQSA-N 2 0 424.992 3.893 20 0 HHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000531564570 1006275519 /nfs/dbraw/zinc/27/55/19/1006275519.db2.gz QXFNVIWOWXIEDC-UHFFFAOYSA-N 2 0 408.590 3.843 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000515289813 1006380235 /nfs/dbraw/zinc/38/02/35/1006380235.db2.gz PBZGVNVNHNPZAB-XMMPIXPASA-N 2 0 424.589 3.783 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000515292637 1006381272 /nfs/dbraw/zinc/38/12/72/1006381272.db2.gz MULKIAPBVYUGGJ-OFNKIYASSA-N 2 0 416.610 3.786 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000515292739 1006381520 /nfs/dbraw/zinc/38/15/20/1006381520.db2.gz WIDUNDXQYHBEEE-HSZRJFAPSA-N 2 0 416.610 3.834 20 0 HHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000515522484 1006512870 /nfs/dbraw/zinc/51/28/70/1006512870.db2.gz IVRXTJPRPFGXQI-GOSISDBHSA-N 2 0 411.546 3.807 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000515555749 1006533139 /nfs/dbraw/zinc/53/31/39/1006533139.db2.gz AVIQNZPOCZMNFD-UHFFFAOYSA-N 2 0 408.590 3.809 20 0 HHADRP C[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000531958933 1006547436 /nfs/dbraw/zinc/54/74/36/1006547436.db2.gz ZSKHGUBVCWDSMS-ZWKOTPCHSA-N 2 0 421.582 3.510 20 0 HHADRP Cc1c([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965623 1006550271 /nfs/dbraw/zinc/55/02/71/1006550271.db2.gz HUERDSPIWXEZQI-CLOONOSVSA-N 2 0 421.564 3.959 20 0 HHADRP Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000532046617 1006599042 /nfs/dbraw/zinc/59/90/42/1006599042.db2.gz WPZUCNYHFYBQEN-IBGZPJMESA-N 2 0 417.500 3.584 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1csc(N2CCCC2)n1)C1CC[NH+](C)CC1 ZINC000532104674 1006638296 /nfs/dbraw/zinc/63/82/96/1006638296.db2.gz SFRRJQLHLPZKPA-UHFFFAOYSA-N 2 0 413.635 3.606 20 0 HHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000532105699 1006638900 /nfs/dbraw/zinc/63/89/00/1006638900.db2.gz QKSWNNPUPZJJAA-ZJSXRUAMSA-N 2 0 406.618 3.970 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000515756367 1006645620 /nfs/dbraw/zinc/64/56/20/1006645620.db2.gz AOOXJFVFGNHCFT-MOPGFXCFSA-N 2 0 422.573 3.537 20 0 HHADRP CCOc1ccc([C@@H](CC)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OCC ZINC000532197414 1006713864 /nfs/dbraw/zinc/71/38/64/1006713864.db2.gz SYLBZUFPKCBCST-OAQYLSRUSA-N 2 0 412.578 3.872 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000532197075 1006713949 /nfs/dbraw/zinc/71/39/49/1006713949.db2.gz ZJJPHQMPKFJENP-UHFFFAOYSA-N 2 0 401.545 3.736 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210979 1006724542 /nfs/dbraw/zinc/72/45/42/1006724542.db2.gz QOIBDQBTDPILSM-NRFANRHFSA-N 2 0 420.601 3.820 20 0 HHADRP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1 ZINC000534793800 1006797288 /nfs/dbraw/zinc/79/72/88/1006797288.db2.gz PRPMGSLZGBQWHI-JOCHJYFZSA-N 2 0 404.514 3.906 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941582 1006981792 /nfs/dbraw/zinc/98/17/92/1006981792.db2.gz RNIMVNXRSAWZHZ-MMOPVJDHSA-N 2 0 424.992 3.749 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)c2)C1 ZINC000532567823 1006999949 /nfs/dbraw/zinc/99/99/49/1006999949.db2.gz MPXBJYVZIONMCE-SFHVURJKSA-N 2 0 423.454 3.832 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959558 1007006043 /nfs/dbraw/zinc/00/60/43/1007006043.db2.gz BIKPXUWCUILYMZ-BLIXFSHQSA-N 2 0 424.992 3.892 20 0 HHADRP COc1ccccc1/C=C\C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000538734866 1007016393 /nfs/dbraw/zinc/01/63/93/1007016393.db2.gz HVCUMSASIZKLDS-WQLSENKSSA-N 2 0 421.585 3.669 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CCCC4)s3)c2)C1 ZINC000532616002 1007041385 /nfs/dbraw/zinc/04/13/85/1007041385.db2.gz BWOPJRNHZWSPPF-FQEVSTJZSA-N 2 0 412.603 3.788 20 0 HHADRP CN(c1ccccc1C[NH2+]CCc1nnc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC000532671804 1007087084 /nfs/dbraw/zinc/08/70/84/1007087084.db2.gz QIQNWYBFLRCKLR-UHFFFAOYSA-N 2 0 405.546 3.599 20 0 HHADRP Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000532708130 1007122295 /nfs/dbraw/zinc/12/22/95/1007122295.db2.gz QOZAGIKMUNJUGB-REWPJTCUSA-N 2 0 408.590 3.846 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007163957 /nfs/dbraw/zinc/16/39/57/1007163957.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 2 0 400.611 3.975 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000516579001 1007165683 /nfs/dbraw/zinc/16/56/83/1007165683.db2.gz FLKUGAYFPLNOKE-CYFREDJKSA-N 2 0 424.564 3.925 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000532765142 1007170244 /nfs/dbraw/zinc/17/02/44/1007170244.db2.gz YQOINFIWAWHRQS-NHCUHLMSSA-N 2 0 405.542 3.835 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000516608604 1007189947 /nfs/dbraw/zinc/18/99/47/1007189947.db2.gz LNIAMYQRLMBGGZ-FQEVSTJZSA-N 2 0 400.611 3.503 20 0 HHADRP CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532813323 1007198888 /nfs/dbraw/zinc/19/88/88/1007198888.db2.gz CRTDCBUGZLYLIS-IRLDBZIGSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538943472 1007227270 /nfs/dbraw/zinc/22/72/70/1007227270.db2.gz MZVZSPJDPMSEPV-INIZCTEOSA-N 2 0 402.489 3.925 20 0 HHADRP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944851 1007229405 /nfs/dbraw/zinc/22/94/05/1007229405.db2.gz AEIBKPXBPQRBRB-HXUWFJFHSA-N 2 0 424.589 3.848 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c(C)n2n1 ZINC000538986443 1007281445 /nfs/dbraw/zinc/28/14/45/1007281445.db2.gz WTRYTYILLBTLKC-OTWHNJEPSA-N 2 0 407.562 3.806 20 0 HHADRP COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000532949645 1007320515 /nfs/dbraw/zinc/32/05/15/1007320515.db2.gz NQKNMQJHDPGZLR-FQEVSTJZSA-N 2 0 421.585 3.613 20 0 HHADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3cccc4ccccc43)C2)CC1 ZINC000532986593 1007357182 /nfs/dbraw/zinc/35/71/82/1007357182.db2.gz FYULQXUKZDEANX-FUDKSRODSA-N 2 0 422.617 3.506 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000539073600 1007365014 /nfs/dbraw/zinc/36/50/14/1007365014.db2.gz OXGOYQAUVPRRSY-HXUWFJFHSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539075744 1007366838 /nfs/dbraw/zinc/36/68/38/1007366838.db2.gz KIPAVIKMOIVXJH-SJORKVTESA-N 2 0 410.587 3.870 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338799 1007390482 /nfs/dbraw/zinc/39/04/82/1007390482.db2.gz DKRNSFOGQFAEBU-BJKOFHAPSA-N 2 0 406.574 3.917 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000533048074 1007409265 /nfs/dbraw/zinc/40/92/65/1007409265.db2.gz QUDKACVFSGZSQX-GBXCKJPGSA-N 2 0 406.574 3.778 20 0 HHADRP Cc1cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c2ccccc2n1 ZINC000533072985 1007435704 /nfs/dbraw/zinc/43/57/04/1007435704.db2.gz JYMDXHURJHZYQX-UHFFFAOYSA-N 2 0 404.558 3.806 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccc(Br)cc3)C3CC3)ccn2)CC1 ZINC000539162191 1007462735 /nfs/dbraw/zinc/46/27/35/1007462735.db2.gz WCAUZMYCOJCJNV-NRFANRHFSA-N 2 0 415.379 3.837 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464695 /nfs/dbraw/zinc/46/46/95/1007464695.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 2 0 412.603 3.876 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465086 /nfs/dbraw/zinc/46/50/86/1007465086.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 2 0 412.603 3.876 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000517199185 1007500956 /nfs/dbraw/zinc/50/09/56/1007500956.db2.gz KNZGSSFKBGOMMP-MRXNPFEDSA-N 2 0 406.368 3.895 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@H]1C ZINC000539224578 1007516790 /nfs/dbraw/zinc/51/67/90/1007516790.db2.gz BHQQDLKTQLXWOC-NHCUHLMSSA-N 2 0 419.573 3.566 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000539306579 1007604701 /nfs/dbraw/zinc/60/47/01/1007604701.db2.gz KFOXAGLZDFNUHO-BEFAXECRSA-N 2 0 412.441 3.849 20 0 HHADRP O[C@@H](COc1cccc2[nH]ccc21)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535675879 1007700803 /nfs/dbraw/zinc/70/08/03/1007700803.db2.gz MQKUCJOJYUIKPQ-JOCHJYFZSA-N 2 0 419.569 3.896 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc2C1 ZINC000535677434 1007702789 /nfs/dbraw/zinc/70/27/89/1007702789.db2.gz UAXSLLRUTRGDJQ-UHFFFAOYSA-N 2 0 403.570 3.559 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccn1 ZINC000535687359 1007719576 /nfs/dbraw/zinc/71/95/76/1007719576.db2.gz UUXDDUHLABTJJH-UHFFFAOYSA-N 2 0 419.451 3.516 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535698510 1007734584 /nfs/dbraw/zinc/73/45/84/1007734584.db2.gz GKSVTFSPAXGREW-UHFFFAOYSA-N 2 0 410.606 3.559 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699941 1007735717 /nfs/dbraw/zinc/73/57/17/1007735717.db2.gz KVSINEKRAILDBA-JXFKEZNVSA-N 2 0 410.965 3.644 20 0 HHADRP c1ccc(CC2CC[NH+](CCCC[NH2+]Cc3cnc(N4CCCC4)nc3)CC2)cc1 ZINC000517581075 1007783861 /nfs/dbraw/zinc/78/38/61/1007783861.db2.gz BYWVEPULFTWPDG-UHFFFAOYSA-N 2 0 407.606 3.901 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000533479957 1007787097 /nfs/dbraw/zinc/78/70/97/1007787097.db2.gz SIHIXPYMETUHCF-FQEVSTJZSA-N 2 0 421.585 3.741 20 0 HHADRP CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000539490764 1007801668 /nfs/dbraw/zinc/80/16/68/1007801668.db2.gz KQHUSPMAOOBPLG-NRFANRHFSA-N 2 0 409.574 3.779 20 0 HHADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000539496553 1007807267 /nfs/dbraw/zinc/80/72/67/1007807267.db2.gz NZYULJBRILPETI-DNVCBOLYSA-N 2 0 400.380 3.903 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000535826652 1007842140 /nfs/dbraw/zinc/84/21/40/1007842140.db2.gz LHLHPKNPJBYKDC-YOSAUDMPSA-N 2 0 402.579 3.566 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000535826648 1007842250 /nfs/dbraw/zinc/84/22/50/1007842250.db2.gz LHLHPKNPJBYKDC-JXALWOEJSA-N 2 0 402.579 3.566 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000533592403 1007891029 /nfs/dbraw/zinc/89/10/29/1007891029.db2.gz OFQWVDBQUPOEHR-PKTZIBPZSA-N 2 0 412.622 3.947 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+]2CCCC2)c1 ZINC000517724109 1007930817 /nfs/dbraw/zinc/93/08/17/1007930817.db2.gz IXUFMXIQHKAOTK-QHCPKHFHSA-N 2 0 416.610 3.594 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942447 1007974867 /nfs/dbraw/zinc/97/48/67/1007974867.db2.gz HYNGBNBQUMHIRC-RDPSFJRHSA-N 2 0 412.622 3.792 20 0 HHADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000517886690 1008030867 /nfs/dbraw/zinc/03/08/67/1008030867.db2.gz VIDBQZOEIZUZQB-NRFANRHFSA-N 2 0 407.002 3.724 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000517901428 1008046447 /nfs/dbraw/zinc/04/64/47/1008046447.db2.gz BRQQCQWMQIZESC-UHFFFAOYSA-N 2 0 410.562 3.755 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000540014420 1008238089 /nfs/dbraw/zinc/23/80/89/1008238089.db2.gz GFEYKMVVRZSUSD-QHCPKHFHSA-N 2 0 415.626 3.840 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1)CC1CC1 ZINC000540047010 1008256637 /nfs/dbraw/zinc/25/66/37/1008256637.db2.gz LCDNXPWREHVEKT-AUSIDOKSSA-N 2 0 413.606 3.849 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1)CC1CC1 ZINC000540050585 1008259773 /nfs/dbraw/zinc/25/97/73/1008259773.db2.gz VOYMQIKCNDWGGI-UHFFFAOYSA-N 2 0 414.594 3.786 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000518440121 1008306271 /nfs/dbraw/zinc/30/62/71/1008306271.db2.gz BVJAKXSDRFGLLZ-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)CCCO2 ZINC000540168573 1008319825 /nfs/dbraw/zinc/31/98/25/1008319825.db2.gz BVNBYNSWEFGFLB-NRFANRHFSA-N 2 0 415.965 3.943 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1S(C)(=O)=O ZINC000540170340 1008320571 /nfs/dbraw/zinc/32/05/71/1008320571.db2.gz QAUJXPFEOIXLRB-KRWDZBQOSA-N 2 0 404.576 3.790 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540176999 1008324077 /nfs/dbraw/zinc/32/40/77/1008324077.db2.gz XHILAUNEQKOYGL-LJQANCHMSA-N 2 0 416.610 3.784 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000540300064 1008372249 /nfs/dbraw/zinc/37/22/49/1008372249.db2.gz XDPOVLKYKPKNFK-FQEVSTJZSA-N 2 0 415.379 3.837 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2)CC1 ZINC000518643860 1008376749 /nfs/dbraw/zinc/37/67/49/1008376749.db2.gz AITIKQPQTQVBEQ-RUZDIDTESA-N 2 0 420.601 3.842 20 0 HHADRP C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321553 1008379030 /nfs/dbraw/zinc/37/90/30/1008379030.db2.gz UVFPQQZPUNOJJY-ROUUACIJSA-N 2 0 401.576 3.648 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540321665 1008379440 /nfs/dbraw/zinc/37/94/40/1008379440.db2.gz TWKWLGHJKDPJGD-ZWOKBUDYSA-N 2 0 417.500 3.718 20 0 HHADRP CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000540376805 1008406011 /nfs/dbraw/zinc/40/60/11/1008406011.db2.gz SQZXMUPPZYRJPC-GOSISDBHSA-N 2 0 413.587 3.923 20 0 HHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000540394799 1008414927 /nfs/dbraw/zinc/41/49/27/1008414927.db2.gz KDLRKGUDAHFEOJ-GDJIYFAZSA-N 2 0 400.588 3.792 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000540408650 1008420786 /nfs/dbraw/zinc/42/07/86/1008420786.db2.gz UVQJIUDPZHKQNC-RBUKOAKNSA-N 2 0 412.553 3.954 20 0 HHADRP COc1cccc(F)c1[C@@H](C)NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000540441299 1008435785 /nfs/dbraw/zinc/43/57/85/1008435785.db2.gz IECQUGHHUMRFGU-MRXNPFEDSA-N 2 0 417.550 3.672 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468389 1008443085 /nfs/dbraw/zinc/44/30/85/1008443085.db2.gz NHMKHKBFFBZPOY-ZEQRLZLVSA-N 2 0 421.585 3.638 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000518926737 1008475503 /nfs/dbraw/zinc/47/55/03/1008475503.db2.gz NTPCOSGKNUQBTE-AABGKKOBSA-N 2 0 411.512 3.683 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000519224971 1008630550 /nfs/dbraw/zinc/63/05/50/1008630550.db2.gz GNVMBVAXHSTWMS-SFHVURJKSA-N 2 0 403.567 3.619 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543069144 1008646829 /nfs/dbraw/zinc/64/68/29/1008646829.db2.gz IUHVKSMPWXFBGB-GUDVDZBRSA-N 2 0 414.594 3.710 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000543161239 1008734301 /nfs/dbraw/zinc/73/43/01/1008734301.db2.gz VSAUQSKRCZKTCR-XMMPIXPASA-N 2 0 405.517 3.741 20 0 HHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229416 1008798535 /nfs/dbraw/zinc/79/85/35/1008798535.db2.gz UPLXFXJNHXGNSM-LOSJGSFVSA-N 2 0 422.569 3.915 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc(-n4ccnc4)cs3)CC2)c1 ZINC000543247059 1008815514 /nfs/dbraw/zinc/81/55/14/1008815514.db2.gz KFALDLSACQWFNZ-UHFFFAOYSA-N 2 0 409.603 3.934 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 ZINC000543521663 1009113936 /nfs/dbraw/zinc/11/39/36/1009113936.db2.gz QESUGKMIZQUECB-UHFFFAOYSA-N 2 0 420.601 3.788 20 0 HHADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000543628038 1009233596 /nfs/dbraw/zinc/23/35/96/1009233596.db2.gz JSAHCHDPGSNJEX-KCZVDYSFSA-N 2 0 400.588 3.739 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130474 1009284364 /nfs/dbraw/zinc/28/43/64/1009284364.db2.gz HBYNKFXKCIUKKT-HTAPYJJXSA-N 2 0 410.553 3.549 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3-c3cnn(C)c3)cc2)CC1 ZINC000520257929 1009375880 /nfs/dbraw/zinc/37/58/80/1009375880.db2.gz QQKKEDYYISNVGA-UHFFFAOYSA-N 2 0 417.601 3.823 20 0 HHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549822498 1009432615 /nfs/dbraw/zinc/43/26/15/1009432615.db2.gz CLQODZCRNVIZSX-SFHVURJKSA-N 2 0 418.379 3.822 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000549858283 1009477896 /nfs/dbraw/zinc/47/78/96/1009477896.db2.gz LZPXCUJBSKCWTA-HTAPYJJXSA-N 2 0 407.493 3.557 20 0 HHADRP CCCn1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C ZINC000549867928 1009486985 /nfs/dbraw/zinc/48/69/85/1009486985.db2.gz IGRFIFDIVNHINI-QHCPKHFHSA-N 2 0 410.606 3.928 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000520406089 1009536574 /nfs/dbraw/zinc/53/65/74/1009536574.db2.gz ZMGJJCSPYSMWTN-BGYRXZFFSA-N 2 0 406.590 3.657 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000544000972 1009602131 /nfs/dbraw/zinc/60/21/31/1009602131.db2.gz IAOMFCMVSLTABQ-OAHLLOKOSA-N 2 0 421.467 3.681 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000544002512 1009603177 /nfs/dbraw/zinc/60/31/77/1009603177.db2.gz TWEDBQPKYAWVJQ-QGZVFWFLSA-N 2 0 403.567 3.665 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3(SC)CC[NH+](C)CC3)c2)cc1 ZINC000520666780 1009737799 /nfs/dbraw/zinc/73/77/99/1009737799.db2.gz MQVDNDXWNYQOAC-UHFFFAOYSA-N 2 0 413.587 3.865 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000544181517 1009785755 /nfs/dbraw/zinc/78/57/55/1009785755.db2.gz OJXVORJBIZZHCD-UHFFFAOYSA-N 2 0 404.543 3.944 20 0 HHADRP CCN1CC[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544182362 1009786624 /nfs/dbraw/zinc/78/66/24/1009786624.db2.gz YAQXLYUQCCCASV-RBBKRZOGSA-N 2 0 415.463 3.918 20 0 HHADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000520733352 1009802066 /nfs/dbraw/zinc/80/20/66/1009802066.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 2 0 409.496 3.574 20 0 HHADRP c1cnn(-c2ccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262863 1009814574 /nfs/dbraw/zinc/81/45/74/1009814574.db2.gz APRAMHDLGAUDTH-XMMPIXPASA-N 2 0 416.569 3.891 20 0 HHADRP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000546885321 1009845661 /nfs/dbraw/zinc/84/56/61/1009845661.db2.gz IZFFXNLXKFTUJN-OAQYLSRUSA-N 2 0 420.384 3.892 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)c(C)c2)CC1 ZINC000520782620 1009850636 /nfs/dbraw/zinc/85/06/36/1009850636.db2.gz YFKAOOPCUFCITG-WOJBJXKFSA-N 2 0 401.599 3.521 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+](C)C)cc1 ZINC000520877236 1009931303 /nfs/dbraw/zinc/93/13/03/1009931303.db2.gz RFMCLUMTICSSOL-XMMPIXPASA-N 2 0 408.590 3.870 20 0 HHADRP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000544357583 1009983578 /nfs/dbraw/zinc/98/35/78/1009983578.db2.gz TXXPDAJCRILJQO-AREMUKBSSA-N 2 0 423.601 3.633 20 0 HHADRP COc1cccc([C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000544372517 1010000790 /nfs/dbraw/zinc/00/07/90/1010000790.db2.gz GEYKTRUUTWQDCZ-HSZRJFAPSA-N 2 0 409.574 3.716 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000521066293 1010084924 /nfs/dbraw/zinc/08/49/24/1010084924.db2.gz YOFQYMGADVLYGJ-JOCHJYFZSA-N 2 0 416.997 3.586 20 0 HHADRP CCOc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc(Cl)c1OC ZINC000544593827 1010219811 /nfs/dbraw/zinc/21/98/11/1010219811.db2.gz DQPCOFMNMJYKIO-UHFFFAOYSA-N 2 0 410.002 3.597 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544621902 1010244943 /nfs/dbraw/zinc/24/49/43/1010244943.db2.gz LXKCDVBVYKRRJZ-DYESRHJHSA-N 2 0 407.002 3.849 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544621903 1010245322 /nfs/dbraw/zinc/24/53/22/1010245322.db2.gz LXKCDVBVYKRRJZ-LAUBAEHRSA-N 2 0 407.002 3.849 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC3 ZINC000547318948 1010251897 /nfs/dbraw/zinc/25/18/97/1010251897.db2.gz FHEVWHCSMBCJCA-FQEVSTJZSA-N 2 0 419.569 3.780 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547505270 1010331368 /nfs/dbraw/zinc/33/13/68/1010331368.db2.gz LNMLWCNHTLXHQR-GECPAALWSA-N 2 0 408.590 3.695 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828485 1010441494 /nfs/dbraw/zinc/44/14/94/1010441494.db2.gz LKSHPDJWVHURAI-QUURXOELSA-N 2 0 411.565 3.699 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481574 /nfs/dbraw/zinc/48/15/74/1010481574.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 2 0 409.549 3.989 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155801 1010547545 /nfs/dbraw/zinc/54/75/45/1010547545.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 2 0 407.602 3.908 20 0 HHADRP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000551387801 1010554527 /nfs/dbraw/zinc/55/45/27/1010554527.db2.gz KPDUYKVKPMNJIK-UHFFFAOYSA-N 2 0 401.576 3.577 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548414340 1010619504 /nfs/dbraw/zinc/61/95/04/1010619504.db2.gz QZEOXUAZCVMVSI-UHFFFAOYSA-N 2 0 401.501 3.765 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521878904 1010682206 /nfs/dbraw/zinc/68/22/06/1010682206.db2.gz OGNWENWYDFPBLI-OAQYLSRUSA-N 2 0 407.002 3.867 20 0 HHADRP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703251 1010749886 /nfs/dbraw/zinc/74/98/86/1010749886.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 2 0 407.602 3.778 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000522174548 1010847153 /nfs/dbraw/zinc/84/71/53/1010847153.db2.gz VCYCRDNURODSFW-QHCPKHFHSA-N 2 0 416.610 3.643 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522177806 1010849418 /nfs/dbraw/zinc/84/94/18/1010849418.db2.gz CVPPYNKIVSNPGT-UHFFFAOYSA-N 2 0 422.617 3.989 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000522294051 1010911224 /nfs/dbraw/zinc/91/12/24/1010911224.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)(C)Oc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522457185 1011023977 /nfs/dbraw/zinc/02/39/77/1011023977.db2.gz DEPFEVKLMSPPPV-UHFFFAOYSA-N 2 0 411.550 3.593 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000522466689 1011029803 /nfs/dbraw/zinc/02/98/03/1011029803.db2.gz DIUCNZKZIKPMTM-OAQYLSRUSA-N 2 0 416.541 3.637 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)C2)CC1 ZINC000522481665 1011038466 /nfs/dbraw/zinc/03/84/66/1011038466.db2.gz CKZPUKSVTCMHKG-HXUWFJFHSA-N 2 0 404.574 3.541 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522596928 1011100496 /nfs/dbraw/zinc/10/04/96/1011100496.db2.gz OCCLRVSWOMYAHR-WOZUAGRISA-N 2 0 400.611 3.878 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000522627426 1011121917 /nfs/dbraw/zinc/12/19/17/1011121917.db2.gz HITUXIZNYJUYBC-IBGZPJMESA-N 2 0 410.562 3.974 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000522631459 1011124644 /nfs/dbraw/zinc/12/46/44/1011124644.db2.gz PKUWFMZZPUOSET-ZCNNSNEGSA-N 2 0 406.640 3.627 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522852083 1011291607 /nfs/dbraw/zinc/29/16/07/1011291607.db2.gz BKJPMSWWNPFIEG-NRFANRHFSA-N 2 0 400.526 3.542 20 0 HHADRP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231951 1011381033 /nfs/dbraw/zinc/38/10/33/1011381033.db2.gz IWUBAAPWKCYTJR-BJKOFHAPSA-N 2 0 406.574 3.738 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536302999 1011493053 /nfs/dbraw/zinc/49/30/53/1011493053.db2.gz RLOGSXJCOZCSIF-ACJLOTCBSA-N 2 0 400.792 3.705 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000523129865 1011598328 /nfs/dbraw/zinc/59/83/28/1011598328.db2.gz YPNSSPDXXCSLMG-QFIPXVFZSA-N 2 0 415.626 3.732 20 0 HHADRP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523134273 1011603853 /nfs/dbraw/zinc/60/38/53/1011603853.db2.gz WQUXBZLCXLTWNG-GGAORHGYSA-N 2 0 400.611 3.805 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458807 1011678085 /nfs/dbraw/zinc/67/80/85/1011678085.db2.gz HTPRFZZXPQMCKR-WRWLIDTKSA-N 2 0 410.965 3.503 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536458805 1011678636 /nfs/dbraw/zinc/67/86/36/1011678636.db2.gz HTPRFZZXPQMCKR-SYNHAJSKSA-N 2 0 410.965 3.503 20 0 HHADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000541091066 1011735730 /nfs/dbraw/zinc/73/57/30/1011735730.db2.gz XYTZHUDTOJINNJ-UHFFFAOYSA-N 2 0 421.589 3.973 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697147 1011865514 /nfs/dbraw/zinc/86/55/14/1011865514.db2.gz LNAYNHNVSUHQJA-IBGZPJMESA-N 2 0 409.368 3.658 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000536719138 1011892690 /nfs/dbraw/zinc/89/26/90/1011892690.db2.gz GLWYJQNVGRNXMV-QHCPKHFHSA-N 2 0 410.537 3.779 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCc4c(Br)cccc43)ccn2)CC1 ZINC000541222710 1011896629 /nfs/dbraw/zinc/89/66/29/1011896629.db2.gz GBMAONWRMVKWKP-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000536757356 1011950697 /nfs/dbraw/zinc/95/06/97/1011950697.db2.gz PAPUUYSJXVNZHO-UHFFFAOYSA-N 2 0 409.486 3.629 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000551815844 1011973232 /nfs/dbraw/zinc/97/32/32/1011973232.db2.gz DBVRCDXNGVCNIM-LVXARBLLSA-N 2 0 423.601 3.711 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@@H](C)C1 ZINC000536806278 1012028501 /nfs/dbraw/zinc/02/85/01/1012028501.db2.gz KYNDYVPLQXVCKL-RBBKRZOGSA-N 2 0 416.606 3.996 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000552045493 1012064137 /nfs/dbraw/zinc/06/41/37/1012064137.db2.gz IMFYZQHVVRAQQE-UHFFFAOYSA-N 3 0 422.617 3.511 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000552046878 1012066825 /nfs/dbraw/zinc/06/68/25/1012066825.db2.gz VILZCGANRQYLAQ-KRWDZBQOSA-N 2 0 409.530 3.589 20 0 HHADRP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854010 1012085843 /nfs/dbraw/zinc/08/58/43/1012085843.db2.gz XDWKAZNOZGHAKF-AEFFLSMTSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536855717 1012088168 /nfs/dbraw/zinc/08/81/68/1012088168.db2.gz CBYFVRBJZJXBOH-GBESFXJTSA-N 2 0 410.002 3.556 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000541373103 1012090431 /nfs/dbraw/zinc/09/04/31/1012090431.db2.gz HAMFRIBPXLFQHB-UHFFFAOYSA-N 2 0 411.815 3.812 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1OC(F)F ZINC000536857759 1012091858 /nfs/dbraw/zinc/09/18/58/1012091858.db2.gz LZBAJUMFWPRWSF-QGZVFWFLSA-N 2 0 417.500 3.964 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536859287 1012092753 /nfs/dbraw/zinc/09/27/53/1012092753.db2.gz SZTUQVQVXKHWQN-YESZJQIVSA-N 2 0 411.974 3.545 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000552096647 1012113096 /nfs/dbraw/zinc/11/30/96/1012113096.db2.gz HIBYJRDIWZPZCE-INIZCTEOSA-N 2 0 418.969 3.564 20 0 HHADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000552223259 1012237005 /nfs/dbraw/zinc/23/70/05/1012237005.db2.gz KEWYEEABOKXBDF-XLIONFOSSA-N 2 0 401.576 3.564 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[NH+]2CCCC2)o1 ZINC000523761352 1012388983 /nfs/dbraw/zinc/38/89/83/1012388983.db2.gz FMQBLIFUZUFNAY-DQVLVPHSSA-N 2 0 402.583 3.631 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)[C@H]1c1ccccc1 ZINC000552403565 1012415713 /nfs/dbraw/zinc/41/57/13/1012415713.db2.gz JTYAVWIIIOIGLQ-FDFHNCONSA-N 2 0 413.512 3.705 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404013 1012416937 /nfs/dbraw/zinc/41/69/37/1012416937.db2.gz QJINHKZPIJWZHU-NRFANRHFSA-N 2 0 407.549 3.724 20 0 HHADRP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745289 1012603090 /nfs/dbraw/zinc/60/30/90/1012603090.db2.gz YNKREKLRMWCZKL-PKTZIBPZSA-N 2 0 400.588 3.931 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCc1ccc3c(c1)OCCO3)c1ccccc1O2 ZINC000537192280 1012605373 /nfs/dbraw/zinc/60/53/73/1012605373.db2.gz XOQBQPRIFKYXHU-NRFANRHFSA-N 2 0 408.542 3.968 20 0 HHADRP Cc1c(C)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000552610783 1012613370 /nfs/dbraw/zinc/61/33/70/1012613370.db2.gz YEMBHEVRYDUFNX-TVFCKZIOSA-N 2 0 414.594 3.926 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000523904463 1012617878 /nfs/dbraw/zinc/61/78/78/1012617878.db2.gz VSQLBDAVTQBDLF-CHOVIJNXSA-N 2 0 406.574 3.957 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)CC1 ZINC000541759469 1012620463 /nfs/dbraw/zinc/62/04/63/1012620463.db2.gz KOTPLRHGYLXJLP-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523939411 1012672599 /nfs/dbraw/zinc/67/25/99/1012672599.db2.gz MNKBMWJVMGBLIS-SVFBPWRDSA-N 2 0 404.599 3.782 20 0 HHADRP CC(C)[NH+](Cc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1)C[C@@H]1CCCCO1 ZINC000541962457 1012825098 /nfs/dbraw/zinc/82/50/98/1012825098.db2.gz MCENANLPMNFFLD-QFIPXVFZSA-N 2 0 404.599 3.928 20 0 HHADRP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)ccc2c1 ZINC000524156165 1012946629 /nfs/dbraw/zinc/94/66/29/1012946629.db2.gz OFBFEJMAHIGOBA-UHFFFAOYSA-N 2 0 411.590 3.859 20 0 HHADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266285 1071830365 /nfs/dbraw/zinc/83/03/65/1071830365.db2.gz DICARIGBNRFAEE-BJKOFHAPSA-N 2 0 421.585 3.561 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272047 1072058535 /nfs/dbraw/zinc/05/85/35/1072058535.db2.gz KBHSHFOUPLSSLC-BJKOFHAPSA-N 2 0 406.570 3.918 20 0 HHADRP CC(C)(C)OC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168374170 1072114450 /nfs/dbraw/zinc/11/44/50/1072114450.db2.gz WZXUKBUTYYNJNP-OAQYLSRUSA-N 2 0 413.553 3.829 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3n3cncn3)CC2)c1 ZINC000570189689 1072197021 /nfs/dbraw/zinc/19/70/21/1072197021.db2.gz HHKDCRVXVTXAHV-JRFVFWCSSA-N 2 0 410.610 3.508 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[C@H](C)C[C@H]3n3cncn3)CC2)c1 ZINC000570189690 1072197023 /nfs/dbraw/zinc/19/70/23/1072197023.db2.gz HHKDCRVXVTXAHV-QPTUXGOLSA-N 2 0 410.610 3.508 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3ccc(C)cc3)cc2)CC1 ZINC000897606494 1072335474 /nfs/dbraw/zinc/33/54/74/1072335474.db2.gz QDDHCINBMDULTD-XMMPIXPASA-N 2 0 406.574 3.913 20 0 HHADRP C[NH+](C)C1CCC(N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001168298430 1072453925 /nfs/dbraw/zinc/45/39/25/1072453925.db2.gz SQDFSFKUBCEJOL-CBNMVNINSA-N 2 0 418.578 3.683 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857881 1072480165 /nfs/dbraw/zinc/48/01/65/1072480165.db2.gz LXTBJWFUCQBUFF-OQLXKQOESA-N 2 0 400.611 3.564 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000586870055 1072494021 /nfs/dbraw/zinc/49/40/21/1072494021.db2.gz GYMGDAZPARVBFL-QHCPKHFHSA-N 2 0 412.622 3.852 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(OC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001168319491 1072499935 /nfs/dbraw/zinc/49/99/35/1072499935.db2.gz VHESLMQWFHFRLK-UHFFFAOYSA-N 2 0 409.615 3.740 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)CC1)CC1CC1 ZINC000760540943 1072565321 /nfs/dbraw/zinc/56/53/21/1072565321.db2.gz YPMFQEVAJLJFEZ-QHCPKHFHSA-N 2 0 413.606 3.803 20 0 HHADRP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C4CC[NH+](CC5CC5)CC4)C3)C2)c1 ZINC001168379277 1072656959 /nfs/dbraw/zinc/65/69/59/1072656959.db2.gz GJFDETPREUBODW-XMMPIXPASA-N 2 0 401.570 3.619 20 0 HHADRP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574767 1072661331 /nfs/dbraw/zinc/66/13/31/1072661331.db2.gz CIQJEUIEXKDYKC-QPTUXGOLSA-N 2 0 407.606 3.967 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccsc1 ZINC000479394831 1072807585 /nfs/dbraw/zinc/80/75/85/1072807585.db2.gz UAKDWEZCBJANIA-WOJBJXKFSA-N 2 0 406.571 3.872 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C1CC1 ZINC000588654645 1073103209 /nfs/dbraw/zinc/10/32/09/1073103209.db2.gz AUOIKURSQDBRLW-PMACEKPBSA-N 2 0 413.606 3.632 20 0 HHADRP CC(C)[NH2+]C1CCN(c2cc(N3CCC([NH2+]C(C)C)CC3)c3ccncc3n2)CC1 ZINC000572183309 1073223232 /nfs/dbraw/zinc/22/32/32/1073223232.db2.gz JWIFEFFXGVLQAP-UHFFFAOYSA-N 2 0 410.610 3.563 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417713 1073452160 /nfs/dbraw/zinc/45/21/60/1073452160.db2.gz ISYVVWINPRWYRT-WMZHIEFXSA-N 2 0 419.585 3.558 20 0 HHADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000555614882 1073667655 /nfs/dbraw/zinc/66/76/55/1073667655.db2.gz UNTBPTKHKVLGSL-XMMPIXPASA-N 2 0 422.617 3.945 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555629163 1073697168 /nfs/dbraw/zinc/69/71/68/1073697168.db2.gz YCEWVROMXDMTIM-VGOFRKELSA-N 2 0 407.493 3.557 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000555709216 1073752202 /nfs/dbraw/zinc/75/22/02/1073752202.db2.gz PZRXAUFSXMUCJZ-BRWVUGGUSA-N 2 0 415.500 3.750 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126962618 1074153689 /nfs/dbraw/zinc/15/36/89/1074153689.db2.gz ZNVNNVISDBZYJK-PQNGQFLHSA-N 2 0 405.586 3.781 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000573248580 1074323479 /nfs/dbraw/zinc/32/34/79/1074323479.db2.gz YUNLGCABAKJMAU-OAHLLOKOSA-N 2 0 404.440 3.708 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545362 1074381484 /nfs/dbraw/zinc/38/14/84/1074381484.db2.gz FZPNTZQLOZMDOS-RXVVDRJESA-N 2 0 407.002 3.897 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000591554617 1074404088 /nfs/dbraw/zinc/40/40/88/1074404088.db2.gz AYRFBQCSULRWQS-LEWJYISDSA-N 2 0 400.611 3.838 20 0 HHADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591571102 1074416855 /nfs/dbraw/zinc/41/68/55/1074416855.db2.gz BTVQGIYAEBOZQQ-MRXNPFEDSA-N 2 0 401.382 3.551 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591580921 1074424353 /nfs/dbraw/zinc/42/43/53/1074424353.db2.gz BPXBHVARWPCJPZ-UXHICEINSA-N 2 0 404.624 3.620 20 0 HHADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000760889083 1074522897 /nfs/dbraw/zinc/52/28/97/1074522897.db2.gz YCZHVHCDJYOFGV-FGZHOGPDSA-N 2 0 414.981 3.988 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)C2)CC1 ZINC000593498893 1075204183 /nfs/dbraw/zinc/20/41/83/1075204183.db2.gz OVIXACWHZPIETA-OAQYLSRUSA-N 2 0 416.610 3.993 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000593499403 1075204386 /nfs/dbraw/zinc/20/43/86/1075204386.db2.gz WLYKNQFFOUSZEW-IBGZPJMESA-N 2 0 410.562 3.585 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000593500961 1075204699 /nfs/dbraw/zinc/20/46/99/1075204699.db2.gz DSJNURNLOQARRT-UHFFFAOYSA-N 2 0 424.589 3.846 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000593503183 1075205835 /nfs/dbraw/zinc/20/58/35/1075205835.db2.gz ZCMUCECYMLCUTB-UHFFFAOYSA-N 2 0 402.583 3.793 20 0 HHADRP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470517 1075250833 /nfs/dbraw/zinc/25/08/33/1075250833.db2.gz RWCBJLKCQRWNOJ-ZWKOTPCHSA-N 2 0 404.576 3.832 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000594290248 1075278396 /nfs/dbraw/zinc/27/83/96/1075278396.db2.gz BHTQTRGXJSTDNW-DHIUTWEWSA-N 2 0 400.611 3.599 20 0 HHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594291931 1075278609 /nfs/dbraw/zinc/27/86/09/1075278609.db2.gz QDLLCWMNTPJSIN-RTWAWAEBSA-N 2 0 404.986 3.747 20 0 HHADRP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001168405677 1075363579 /nfs/dbraw/zinc/36/35/79/1075363579.db2.gz ZKXAJHGMELEZSY-RTWAWAEBSA-N 2 0 413.606 3.567 20 0 HHADRP Clc1ncc2c(c1N1CC[C@H]3[NH2+]CC[C@@H]31)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164410791 718875233 /nfs/dbraw/zinc/87/52/33/718875233.db2.gz HCUWFCJIOAOPAQ-RTWAWAEBSA-N 2 0 424.976 3.697 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628438 719110291 /nfs/dbraw/zinc/11/02/91/719110291.db2.gz MVOXFYPACPWBOG-QPPBQGQZSA-N 2 0 406.574 3.655 20 0 HHADRP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164621616 719111123 /nfs/dbraw/zinc/11/11/23/719111123.db2.gz AIGUNJJEMLFYBB-ISKFKSNPSA-N 2 0 406.574 3.561 20 0 HHADRP C[N@H+](Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646395 719297358 /nfs/dbraw/zinc/29/73/58/719297358.db2.gz BEERFEIBVOXOEW-ISKFKSNPSA-N 2 0 410.537 3.864 20 0 HHADRP Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(N2CCCC2)[nH+]1 ZINC001164839184 720666660 /nfs/dbraw/zinc/66/66/60/720666660.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 2 0 421.589 3.645 20 0 HHADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)C[C@H]3C2)cn1 ZINC001164771862 721210800 /nfs/dbraw/zinc/21/08/00/721210800.db2.gz RLEKCFBXZRZMFZ-FCHUYYIVSA-N 2 0 416.573 3.527 20 0 HHADRP FC(F)(F)c1cc(NC2CC[NH+](C3CC3)CC2)nc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000301371088 970892044 /nfs/dbraw/zinc/89/20/44/970892044.db2.gz SPCGJQGMHYJJBA-UHFFFAOYSA-N 2 0 424.515 3.573 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000301532985 970969475 /nfs/dbraw/zinc/96/94/75/970969475.db2.gz ICLSWYBDEUVPAT-INIZCTEOSA-N 2 0 404.352 3.773 20 0 HHADRP Cc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2c1 ZINC000302171370 971194671 /nfs/dbraw/zinc/19/46/71/971194671.db2.gz UUPBFENUABCAEA-NRFANRHFSA-N 2 0 401.558 3.977 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303004810 971448221 /nfs/dbraw/zinc/44/82/21/971448221.db2.gz PACNOAWVSDCBES-OAQYLSRUSA-N 2 0 415.528 3.767 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303164423 971537594 /nfs/dbraw/zinc/53/75/94/971537594.db2.gz FRVZLOQCUUNFTR-FGZHOGPDSA-N 2 0 412.622 3.731 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189551 971551185 /nfs/dbraw/zinc/55/11/85/971551185.db2.gz ZVZCVMCAGRTEIN-KRWDZBQOSA-N 2 0 422.367 3.683 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303424379 971705302 /nfs/dbraw/zinc/70/53/02/971705302.db2.gz AGTCAPCKCPJKHP-GLCCWIKHSA-N 2 0 422.573 3.911 20 0 HHADRP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000524300485 1013111807 /nfs/dbraw/zinc/11/18/07/1013111807.db2.gz RVFRQGIXOIVZNB-VQIMIIECSA-N 2 0 400.394 3.860 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000303622119 971905330 /nfs/dbraw/zinc/90/53/30/971905330.db2.gz DHPWFDWWVHDELW-FQEVSTJZSA-N 2 0 424.589 3.652 20 0 HHADRP Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OCC[NH+](C)C)c1 ZINC000303748594 972001003 /nfs/dbraw/zinc/00/10/03/972001003.db2.gz BEEXDSFOHUZWON-NRFANRHFSA-N 2 0 416.610 3.911 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000542185559 1013125999 /nfs/dbraw/zinc/12/59/99/1013125999.db2.gz MBEKXMXJHFPETN-JQVVWYNYSA-N 2 0 423.557 3.691 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000303803141 972039095 /nfs/dbraw/zinc/03/90/95/972039095.db2.gz BFRNKIBWVBVGPY-GOSISDBHSA-N 2 0 412.553 3.520 20 0 HHADRP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537621040 1013165602 /nfs/dbraw/zinc/16/56/02/1013165602.db2.gz RRDLDRLLUXUKJP-UHFFFAOYSA-N 2 0 409.622 3.809 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000537622599 1013171161 /nfs/dbraw/zinc/17/11/61/1013171161.db2.gz DKUBGQPSPXSMNS-DEOSSOPVSA-N 2 0 415.622 3.769 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000303855933 972396788 /nfs/dbraw/zinc/39/67/88/972396788.db2.gz VTBXIOJACAZABA-FQEVSTJZSA-N 2 0 400.592 3.607 20 0 HHADRP CCC(CC)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+](C)C ZINC000303923059 972499151 /nfs/dbraw/zinc/49/91/51/972499151.db2.gz YTWGSLCLWIKJJW-NRFANRHFSA-N 2 0 406.640 3.766 20 0 HHADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCCC(C)C ZINC000537661953 1013222976 /nfs/dbraw/zinc/22/29/76/1013222976.db2.gz XXYGGYWUZGWGQE-JOCHJYFZSA-N 2 0 403.611 3.720 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)c2)CC1 ZINC000537671237 1013232148 /nfs/dbraw/zinc/23/21/48/1013232148.db2.gz TYBOYZBFBBMPDC-QHCPKHFHSA-N 2 0 416.610 3.536 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000553386067 1013318212 /nfs/dbraw/zinc/31/82/12/1013318212.db2.gz PFENPGJRJUOQMC-XMMPIXPASA-N 2 0 421.585 3.546 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537812351 1013375710 /nfs/dbraw/zinc/37/57/10/1013375710.db2.gz SBZZIXGMPJRYAH-HSZRJFAPSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841733 1013403063 /nfs/dbraw/zinc/40/30/63/1013403063.db2.gz NKHLXCBGAPRDKC-INIZCTEOSA-N 2 0 402.489 3.925 20 0 HHADRP COc1cccc(C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CCC(O)CC2)c1 ZINC000542467600 1013415591 /nfs/dbraw/zinc/41/55/91/1013415591.db2.gz MOQJYTHIVDNDCH-UHFFFAOYSA-N 2 0 406.530 3.890 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537875818 1013451903 /nfs/dbraw/zinc/45/19/03/1013451903.db2.gz PIQSEPXAKXSZRQ-HXUWFJFHSA-N 2 0 421.589 3.823 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537875817 1013452271 /nfs/dbraw/zinc/45/22/71/1013452271.db2.gz PIQSEPXAKXSZRQ-FQEVSTJZSA-N 2 0 421.589 3.823 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537878062 1013456264 /nfs/dbraw/zinc/45/62/64/1013456264.db2.gz FJACRXLARIDHHU-UHFFFAOYSA-N 2 0 409.578 3.638 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000048717363 964037914 /nfs/dbraw/zinc/03/79/14/964037914.db2.gz OGCSVBPMUVOVOK-UHFFFAOYSA-N 2 0 414.500 3.998 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000049798130 964215896 /nfs/dbraw/zinc/21/58/96/964215896.db2.gz ZRJHQFPKOMQJQV-QHCPKHFHSA-N 2 0 412.553 3.701 20 0 HHADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)([NH+](C)C)C1 ZINC000057849098 965562098 /nfs/dbraw/zinc/56/20/98/965562098.db2.gz LQARXBHCAAPADI-FDDCHVKYSA-N 2 0 404.574 3.600 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccs1 ZINC000054953247 965710695 /nfs/dbraw/zinc/71/06/95/965710695.db2.gz HEPOJWSFHWFEQQ-FQEVSTJZSA-N 2 0 400.592 3.836 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000058416302 965723907 /nfs/dbraw/zinc/72/39/07/965723907.db2.gz XHYSNPMBWDGQEY-UHFFFAOYSA-N 2 0 422.017 3.820 20 0 HHADRP Cc1c(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030545526 965724071 /nfs/dbraw/zinc/72/40/71/965724071.db2.gz JXZWFMSPKHCMSI-UHFFFAOYSA-N 2 0 409.603 3.524 20 0 HHADRP CCOc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OC(F)F ZINC000542689470 1013608971 /nfs/dbraw/zinc/60/89/71/1013608971.db2.gz FXLUJOUVAHYCCL-UHFFFAOYSA-N 2 0 411.537 3.536 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000553796191 1013621035 /nfs/dbraw/zinc/62/10/35/1013621035.db2.gz MYDHTLNPMQQYRF-OBDYRVMHSA-N 2 0 417.597 3.765 20 0 HHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060335598 966095102 /nfs/dbraw/zinc/09/51/02/966095102.db2.gz VXHGAWBVIFUHLK-RUZDIDTESA-N 2 0 420.601 3.817 20 0 HHADRP CCC[N@H+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000553804003 1013626971 /nfs/dbraw/zinc/62/69/71/1013626971.db2.gz FOIWUAJPNQTFHI-NRFANRHFSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000542715715 1013628205 /nfs/dbraw/zinc/62/82/05/1013628205.db2.gz ZRUUMWGCJOYDKA-WOJBJXKFSA-N 2 0 400.611 3.933 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031959230 966163044 /nfs/dbraw/zinc/16/30/44/966163044.db2.gz IXVUFJRTRPRAJR-UHFFFAOYSA-N 2 0 401.620 3.764 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058377 1013635092 /nfs/dbraw/zinc/63/50/92/1013635092.db2.gz AIDKONYGMWQVMI-GUDVDZBRSA-N 2 0 415.603 3.663 20 0 HHADRP N#CC1CC[NH+](Cc2c(O)ccc3ccc(O)c(C[NH+]4CCC(C#N)CC4)c32)CC1 ZINC000060857755 966310998 /nfs/dbraw/zinc/31/09/98/966310998.db2.gz YPWSGOCTVNOYSF-UHFFFAOYSA-N 2 0 404.514 3.722 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000060979446 966342997 /nfs/dbraw/zinc/34/29/97/966342997.db2.gz LDBDKWNJWBCWBE-UHFFFAOYSA-N 2 0 411.377 3.749 20 0 HHADRP COc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)[NH+]2CCCCC2)cc1 ZINC000056792542 966466894 /nfs/dbraw/zinc/46/68/94/966466894.db2.gz XPHCOEHFXDLBDR-QHCPKHFHSA-N 2 0 416.610 3.596 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000056813362 966477162 /nfs/dbraw/zinc/47/71/62/966477162.db2.gz UGFTZRSSPZRSNK-UHFFFAOYSA-N 2 0 412.578 3.847 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000056813633 966477316 /nfs/dbraw/zinc/47/73/16/966477316.db2.gz BYINAUVFGIGINX-UHFFFAOYSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061530464 966491845 /nfs/dbraw/zinc/49/18/45/966491845.db2.gz GMWNEIBWAZNPGH-DEOSSOPVSA-N 2 0 408.590 3.992 20 0 HHADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253003 966632276 /nfs/dbraw/zinc/63/22/76/966632276.db2.gz VYDHIETWLMNESR-ROUUACIJSA-N 2 0 404.986 3.872 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000062528229 966698167 /nfs/dbraw/zinc/69/81/67/966698167.db2.gz PTZXTJAUBPIATN-QFIPXVFZSA-N 2 0 404.574 3.772 20 0 HHADRP COc1ccccc1[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000538102466 1013670203 /nfs/dbraw/zinc/67/02/03/1013670203.db2.gz LUPXATVTPVZZAX-DEOSSOPVSA-N 2 0 423.605 3.909 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000062646659 966721110 /nfs/dbraw/zinc/72/11/10/966721110.db2.gz VFHLTDDXUXKXNE-YADARESESA-N 2 0 400.611 3.769 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000538112221 1013675623 /nfs/dbraw/zinc/67/56/23/1013675623.db2.gz DBKHLVVPSPIVBV-LJQANCHMSA-N 2 0 422.411 3.653 20 0 HHADRP CN(CCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cc[nH+]cc1 ZINC000542787079 1013681057 /nfs/dbraw/zinc/68/10/57/1013681057.db2.gz QKXWTABJBBPEJK-UHFFFAOYSA-N 2 0 420.479 3.661 20 0 HHADRP CCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441456 966858347 /nfs/dbraw/zinc/85/83/47/966858347.db2.gz JSAZZVZJBRIPPY-UHFFFAOYSA-O 2 0 423.027 3.874 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000063464681 966868519 /nfs/dbraw/zinc/86/85/19/966868519.db2.gz NPGSMQQYGQUSLB-JOCHJYFZSA-N 2 0 400.611 3.852 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000064130690 967061123 /nfs/dbraw/zinc/06/11/23/967061123.db2.gz OTXPJOMVWHXCGG-UHFFFAOYSA-N 2 0 413.610 3.558 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000064237001 967101075 /nfs/dbraw/zinc/10/10/75/967101075.db2.gz NXQORSFLCXJBKE-GOTSBHOMSA-N 2 0 412.553 3.873 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064251166 967105668 /nfs/dbraw/zinc/10/56/68/967105668.db2.gz CWQRLMHPOJJCQO-UHFFFAOYSA-N 2 0 406.640 3.771 20 0 HHADRP CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141425 1013702946 /nfs/dbraw/zinc/70/29/46/1013702946.db2.gz MITCBTRRNSJXOT-YADARESESA-N 2 0 409.574 3.905 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000064644613 967259146 /nfs/dbraw/zinc/25/91/46/967259146.db2.gz PMTDURPTRSNESW-IBGZPJMESA-N 2 0 406.640 3.914 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196459 1013752852 /nfs/dbraw/zinc/75/28/52/1013752852.db2.gz IKONKFZGHAICTA-BKMJKUGQSA-N 2 0 422.617 3.599 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccn1C ZINC000538205712 1013759919 /nfs/dbraw/zinc/75/99/19/1013759919.db2.gz ZSPYRYOTVRYYDR-QGZVFWFLSA-N 2 0 409.500 3.692 20 0 HHADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000538208807 1013762672 /nfs/dbraw/zinc/76/26/72/1013762672.db2.gz VUBAJPZVURZGDZ-IBGZPJMESA-N 2 0 400.588 3.862 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000538210224 1013763854 /nfs/dbraw/zinc/76/38/54/1013763854.db2.gz DKWMLQLBKNGIHO-KRWDZBQOSA-N 2 0 416.516 3.786 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000542941763 1013774786 /nfs/dbraw/zinc/77/47/86/1013774786.db2.gz DSWKTMJBEMOIQR-SFHVURJKSA-N 2 0 402.583 3.806 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000047777553 968309371 /nfs/dbraw/zinc/30/93/71/968309371.db2.gz SEYUHELRGBMUIU-UXHICEINSA-N 2 0 402.514 3.548 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777648 968309740 /nfs/dbraw/zinc/30/97/40/968309740.db2.gz MVFWRZPMRXECAM-JOCHJYFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000065827095 968665422 /nfs/dbraw/zinc/66/54/22/968665422.db2.gz YOOYEFRLTBHZLZ-REWPJTCUSA-N 2 0 409.574 3.973 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000538278388 1013817003 /nfs/dbraw/zinc/81/70/03/1013817003.db2.gz VXOLWIZIVVEACS-OAQYLSRUSA-N 2 0 420.601 3.850 20 0 HHADRP COCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccccc1 ZINC000554208070 1013852156 /nfs/dbraw/zinc/85/21/56/1013852156.db2.gz AVFIXTGKTYGQLH-JOCHJYFZSA-N 2 0 423.601 3.785 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554219085 1013859009 /nfs/dbraw/zinc/85/90/09/1013859009.db2.gz UGPQNSPHEBEOPG-RBUKOAKNSA-N 2 0 404.555 3.626 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000110910341 969740000 /nfs/dbraw/zinc/74/00/00/969740000.db2.gz BTKWSAIAVHNKTQ-UHFFFAOYSA-N 2 0 405.586 3.678 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000228130694 970122458 /nfs/dbraw/zinc/12/24/58/970122458.db2.gz ZUHRIOFBCWDMPL-FGZHOGPDSA-N 2 0 411.615 3.989 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000236698758 970157584 /nfs/dbraw/zinc/15/75/84/970157584.db2.gz LREOEYPHIWKKDE-UHFFFAOYSA-N 2 0 416.363 3.565 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cc(F)cc3c2OCOC3)CC1 ZINC000236813516 970175731 /nfs/dbraw/zinc/17/57/31/970175731.db2.gz PLJUKHXLQOKECR-UHFFFAOYSA-N 2 0 413.537 3.557 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236839608 970178434 /nfs/dbraw/zinc/17/84/34/970178434.db2.gz GEPDKPDKQPWVKT-NRFANRHFSA-N 2 0 409.622 3.588 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849115 970179753 /nfs/dbraw/zinc/17/97/53/970179753.db2.gz LGQJSOJWJRAMAW-NRFANRHFSA-N 2 0 403.574 3.655 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000236849902 970180571 /nfs/dbraw/zinc/18/05/71/970180571.db2.gz KVTOMKNSIVLLCK-JOCHJYFZSA-N 2 0 417.601 3.963 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000236975164 970198156 /nfs/dbraw/zinc/19/81/56/970198156.db2.gz VWNKMQFOFAZZML-HNNXBMFYSA-N 2 0 423.424 3.688 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(N2CCCC2=O)cc1)C1CC[NH+](C)CC1 ZINC000237068257 970217195 /nfs/dbraw/zinc/21/71/95/970217195.db2.gz MJAGDJRTZRPZOL-UHFFFAOYSA-N 2 0 406.574 3.634 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000237403100 970278337 /nfs/dbraw/zinc/27/83/37/970278337.db2.gz NYZFPTUFOOFGNT-OPYAIIAOSA-N 2 0 410.986 3.877 20 0 HHADRP C[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)N1CC[NH+](C)CC1 ZINC000237409861 970280295 /nfs/dbraw/zinc/28/02/95/970280295.db2.gz RYRVXRCBDDDZJC-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000554546125 1013975089 /nfs/dbraw/zinc/97/50/89/1013975089.db2.gz YRBFLBZUBRPSKR-DEOSSOPVSA-N 2 0 410.558 3.651 20 0 HHADRP C[C@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000237560961 970313147 /nfs/dbraw/zinc/31/31/47/970313147.db2.gz LUZJSOCDWSBYGB-QGZVFWFLSA-N 2 0 404.002 3.684 20 0 HHADRP C[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)CN1CC[NH+](C)CC1 ZINC000237579948 970315816 /nfs/dbraw/zinc/31/58/16/970315816.db2.gz WORBYJIJBFWQMS-MRXNPFEDSA-N 2 0 406.368 3.682 20 0 HHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237609805 970322314 /nfs/dbraw/zinc/32/23/14/970322314.db2.gz DZQOYDMHMVTMKY-CALCHBBNSA-N 2 0 410.484 3.870 20 0 HHADRP Cc1nn(C)c(C)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237704702 970344371 /nfs/dbraw/zinc/34/43/71/970344371.db2.gz BDTVHYTZBZTKLC-UHFFFAOYSA-N 2 0 423.527 3.748 20 0 HHADRP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000554575222 1013980684 /nfs/dbraw/zinc/98/06/84/1013980684.db2.gz BKPOTXYVJTWGTB-REWPJTCUSA-N 2 0 400.611 3.659 20 0 HHADRP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000237855547 970382155 /nfs/dbraw/zinc/38/21/55/970382155.db2.gz NDKMSFMRVBWZDP-FQEVSTJZSA-N 2 0 404.986 3.528 20 0 HHADRP O=C(Nc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000237870937 970385526 /nfs/dbraw/zinc/38/55/26/970385526.db2.gz DWVZPZVRTYRDNP-UHFFFAOYSA-N 2 0 401.938 3.794 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3)c2)C1 ZINC000237915407 970392580 /nfs/dbraw/zinc/39/25/80/970392580.db2.gz PHOUFSXAMDIAMC-GOSISDBHSA-N 2 0 406.357 3.981 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)C1 ZINC000237934741 970398944 /nfs/dbraw/zinc/39/89/44/970398944.db2.gz AUNHGWYKHBVMQS-IBGZPJMESA-N 2 0 421.463 3.572 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000237965452 970407752 /nfs/dbraw/zinc/40/77/52/970407752.db2.gz YTHVIGBKDLXYTE-NRFANRHFSA-N 2 0 410.587 3.927 20 0 HHADRP Cc1cc(Br)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1Cl ZINC000326504247 972743289 /nfs/dbraw/zinc/74/32/89/972743289.db2.gz IVSYLTUUNMUEGJ-UHFFFAOYSA-N 2 0 418.807 3.757 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000398164274 972878037 /nfs/dbraw/zinc/87/80/37/972878037.db2.gz SRXLERZEWMWTEX-CZAAIQMYSA-N 2 0 403.364 3.983 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310136 973850986 /nfs/dbraw/zinc/85/09/86/973850986.db2.gz HQRQBPZLOSACFY-NRFANRHFSA-N 2 0 400.611 3.647 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410309326 973851245 /nfs/dbraw/zinc/85/12/45/973851245.db2.gz USPLKAUXXWGGBM-VWLOTQADSA-N 2 0 420.601 3.830 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351752 973941495 /nfs/dbraw/zinc/94/14/95/973941495.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 2 0 420.601 3.992 20 0 HHADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)CCC(F)(F)F ZINC000425995999 974109957 /nfs/dbraw/zinc/10/99/57/974109957.db2.gz NXSIUMKCLISUEY-WBVHZDCISA-N 2 0 420.545 3.705 20 0 HHADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1O ZINC000426161077 974274255 /nfs/dbraw/zinc/27/42/55/974274255.db2.gz LQCJDOHLVNWKFH-MSOLQXFVSA-N 2 0 415.553 3.964 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000426671416 974592736 /nfs/dbraw/zinc/59/27/36/974592736.db2.gz WDICPXSSTPCMAC-UHFFFAOYSA-N 2 0 407.558 3.882 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000426774689 974650748 /nfs/dbraw/zinc/65/07/48/974650748.db2.gz PNXJRKMMIWHWBL-HDICACEKSA-N 2 0 407.986 3.880 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775678 974651870 /nfs/dbraw/zinc/65/18/70/974651870.db2.gz UERWOPULXFNWHJ-CALCHBBNSA-N 2 0 422.411 3.745 20 0 HHADRP CC(C)N(C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000426785547 974658619 /nfs/dbraw/zinc/65/86/19/974658619.db2.gz QEYFBUYZMLUQJX-NHCUHLMSSA-N 2 0 401.595 3.639 20 0 HHADRP CC1CC[NH+](CC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CC1 ZINC000426802466 974670987 /nfs/dbraw/zinc/67/09/87/974670987.db2.gz YOXDWQDVBKFHQE-UHFFFAOYSA-N 2 0 422.411 3.604 20 0 HHADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426837502 974701739 /nfs/dbraw/zinc/70/17/39/974701739.db2.gz YHSIZKDUDQZSNH-AQNXPRMDSA-N 2 0 419.585 3.556 20 0 HHADRP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427674024 975234023 /nfs/dbraw/zinc/23/40/23/975234023.db2.gz YRNVGJIQGBTYQN-XPNTWCBSSA-N 2 0 418.622 3.761 20 0 HHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846670 975319162 /nfs/dbraw/zinc/31/91/62/975319162.db2.gz ANKNMWLWKUMMON-ICSRJNTNSA-N 2 0 405.464 3.834 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000428204067 975528736 /nfs/dbraw/zinc/52/87/36/975528736.db2.gz HWMXJODTTPMZFC-RJGXRXQPSA-N 2 0 407.606 3.827 20 0 HHADRP CC(C)O[C@@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000428369173 975688121 /nfs/dbraw/zinc/68/81/21/975688121.db2.gz HOCGEFMYRSCMQV-DEOSSOPVSA-N 2 0 415.622 3.857 20 0 HHADRP Oc1cccc2c1C[C@H]([NH2+]Cc1ccccc1C[NH2+][C@H]1Cc3cccc(O)c3C1)C2 ZINC000429314838 976584444 /nfs/dbraw/zinc/58/44/44/976584444.db2.gz GAEWKDHRZOMMLK-SZPZYZBQSA-N 2 0 400.522 3.612 20 0 HHADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429690608 976983198 /nfs/dbraw/zinc/98/31/98/976983198.db2.gz SNYBFELEBWJQKM-YUXAGFNASA-N 2 0 403.636 3.810 20 0 HHADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000429690606 976983437 /nfs/dbraw/zinc/98/34/37/976983437.db2.gz SNYBFELEBWJQKM-STZQEDGTSA-N 2 0 403.636 3.810 20 0 HHADRP Fc1ccc(C[N@@H+]2CCCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000429720847 977011455 /nfs/dbraw/zinc/01/14/55/977011455.db2.gz IVGFUNGETUJRCL-VWLOTQADSA-N 2 0 411.565 3.625 20 0 HHADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000430925682 977891045 /nfs/dbraw/zinc/89/10/45/977891045.db2.gz LYAMJKJUPNEGQR-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430933413 977897044 /nfs/dbraw/zinc/89/70/44/977897044.db2.gz KMYFRULWLBFBNU-FQEVSTJZSA-N 2 0 414.638 3.704 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000430978966 977924746 /nfs/dbraw/zinc/92/47/46/977924746.db2.gz MIRSIKJZNCOZIC-YZGWKJHDSA-N 2 0 400.592 3.703 20 0 HHADRP Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431102421 978019444 /nfs/dbraw/zinc/01/94/44/978019444.db2.gz SINNJTVYUDVFNO-GOSISDBHSA-N 2 0 412.582 3.709 20 0 HHADRP C[C@@H](CCSc1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000431603138 978378269 /nfs/dbraw/zinc/37/82/69/978378269.db2.gz JGMLWPGYFJJARD-IBGZPJMESA-N 2 0 405.652 3.973 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698102 978442941 /nfs/dbraw/zinc/44/29/41/978442941.db2.gz KUIGIWWJRQPPSQ-HYBUGGRVSA-N 2 0 408.590 3.991 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704399 978447673 /nfs/dbraw/zinc/44/76/73/978447673.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000431902339 978588245 /nfs/dbraw/zinc/58/82/45/978588245.db2.gz ONCUYWOUHRTVTF-REHUZNOOSA-N 2 0 413.606 3.709 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@H](c3ccccc3)[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000431903451 978588737 /nfs/dbraw/zinc/58/87/37/978588737.db2.gz UETYPNVVPGJPSJ-YOSAUDMPSA-N 2 0 409.574 3.605 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835934 978987951 /nfs/dbraw/zinc/98/79/51/978987951.db2.gz KFXTUMYQCFGJES-SQJMNOBHSA-N 2 0 405.586 3.954 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432942714 979018085 /nfs/dbraw/zinc/01/80/85/979018085.db2.gz HROCSUGJOZBRSQ-IBGZPJMESA-N 2 0 408.384 3.608 20 0 HHADRP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433078677 979061645 /nfs/dbraw/zinc/06/16/45/979061645.db2.gz WIOBWONWGQBLMI-UHFFFAOYSA-N 2 0 405.586 3.942 20 0 HHADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117826 979081127 /nfs/dbraw/zinc/08/11/27/979081127.db2.gz VKHKHUSEKJVBIM-FQEVSTJZSA-N 2 0 409.549 3.819 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCC(c2ccccc2)=N1 ZINC000433177002 979120205 /nfs/dbraw/zinc/12/02/05/979120205.db2.gz ROIYFOSVVDDFFU-UHFFFAOYSA-N 2 0 416.569 3.611 20 0 HHADRP COc1cc(C[NH+]2CCCC[C@@H]2C[C@H](C)O)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000433203438 979138678 /nfs/dbraw/zinc/13/86/78/979138678.db2.gz XOAMQSBXMMFFRC-UWXQAFAOSA-N 2 0 418.622 3.946 20 0 HHADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109063 /nfs/dbraw/zinc/10/90/63/980109063.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 2 0 410.606 3.701 20 0 HHADRP Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435692778 980989502 /nfs/dbraw/zinc/98/95/02/980989502.db2.gz KBUMESRYOUCMJG-QHCPKHFHSA-N 2 0 417.557 3.952 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435747617 981014232 /nfs/dbraw/zinc/01/42/32/981014232.db2.gz AADQNZBZVHKRFJ-OAQYLSRUSA-N 2 0 413.610 3.747 20 0 HHADRP O=C(c1ccccc1O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000436908563 981613906 /nfs/dbraw/zinc/61/39/06/981613906.db2.gz JNVBDBWUUBTDAB-WBDAEOGXSA-N 2 0 419.569 3.782 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000448205424 981617327 /nfs/dbraw/zinc/61/73/27/981617327.db2.gz PSUNDELAMMHPJY-NHCUHLMSSA-N 2 0 400.611 3.879 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000448214274 981628361 /nfs/dbraw/zinc/62/83/61/981628361.db2.gz PUIODCCFIAEYHE-OAQYLSRUSA-N 2 0 400.611 3.840 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448217958 981632580 /nfs/dbraw/zinc/63/25/80/981632580.db2.gz QXYJNPKXUKCHLJ-URXFXBBRSA-N 2 0 410.606 3.618 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448217960 981632591 /nfs/dbraw/zinc/63/25/91/981632591.db2.gz QXYJNPKXUKCHLJ-ZJSXRUAMSA-N 2 0 410.606 3.618 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218259 981632871 /nfs/dbraw/zinc/63/28/71/981632871.db2.gz UFWQRWWQCNXZIV-DUXKGJEZSA-N 2 0 404.624 3.789 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000448221357 981636044 /nfs/dbraw/zinc/63/60/44/981636044.db2.gz YFUGXEHIVAWQPS-FQEVSTJZSA-N 2 0 406.640 3.627 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000448467174 981802932 /nfs/dbraw/zinc/80/29/32/981802932.db2.gz PLJYOJUAHGTOGW-BJKOFHAPSA-N 2 0 414.638 3.908 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000448467175 981803394 /nfs/dbraw/zinc/80/33/94/981803394.db2.gz PLJYOJUAHGTOGW-DNQXCXABSA-N 2 0 414.638 3.908 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000448472121 981813195 /nfs/dbraw/zinc/81/31/95/981813195.db2.gz NNRRTMNVLASYNP-XZOQPEGZSA-N 2 0 400.611 3.518 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000448473738 981815802 /nfs/dbraw/zinc/81/58/02/981815802.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 2 0 400.611 3.660 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)[C@H]1c1cccs1 ZINC000448519679 981847134 /nfs/dbraw/zinc/84/71/34/981847134.db2.gz FHYAJUZIZGWOMQ-DBQGFPOUSA-N 2 0 416.635 3.789 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460472877 982266076 /nfs/dbraw/zinc/26/60/76/982266076.db2.gz ZLKDIZHHPNGJPA-YADHBBJMSA-N 2 0 410.606 3.557 20 0 HHADRP C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437787953 982356478 /nfs/dbraw/zinc/35/64/78/982356478.db2.gz SHPZVOPZHAKUCY-DENAFPEJSA-N 2 0 409.574 3.836 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(CC(F)(F)F)cc1 ZINC000438260951 982686671 /nfs/dbraw/zinc/68/66/71/982686671.db2.gz SFKPBGPFPGWKTC-UHFFFAOYSA-N 2 0 421.467 3.520 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000438306995 982713368 /nfs/dbraw/zinc/71/33/68/982713368.db2.gz SYCBGQODTNSNPL-HSZRJFAPSA-N 2 0 415.626 3.803 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000438840721 983109066 /nfs/dbraw/zinc/10/90/66/983109066.db2.gz NYPHORJSHDFZRB-VAMGGRTRSA-N 2 0 415.626 3.663 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000438846451 983113749 /nfs/dbraw/zinc/11/37/49/983113749.db2.gz BEIOSSBPCCDUMX-HBMCJLEFSA-N 2 0 415.626 3.664 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438864266 983129766 /nfs/dbraw/zinc/12/97/66/983129766.db2.gz JOCLGXNKGOIQAE-DENIHFKCSA-N 2 0 401.599 3.561 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)ccn2)CC1 ZINC000439143937 983271075 /nfs/dbraw/zinc/27/10/75/983271075.db2.gz TWYJAUKTTSMDRC-LJQANCHMSA-N 2 0 421.408 3.898 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197784 983305536 /nfs/dbraw/zinc/30/55/36/983305536.db2.gz JCHPQPOQWPGDHR-HYBUGGRVSA-N 2 0 421.589 3.743 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000439340049 983372247 /nfs/dbraw/zinc/37/22/47/983372247.db2.gz HYPLHDIGCSQTCQ-GOSISDBHSA-N 2 0 420.648 3.795 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000439361496 983379148 /nfs/dbraw/zinc/37/91/48/983379148.db2.gz VBKMRULPSCJSEJ-XLIONFOSSA-N 2 0 420.648 3.966 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439420587 983402115 /nfs/dbraw/zinc/40/21/15/983402115.db2.gz HNARWPANCAKNSY-SIKLNZKXSA-N 2 0 414.619 3.732 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000440185467 983674468 /nfs/dbraw/zinc/67/44/68/983674468.db2.gz JJDVVHYCUYFBDI-NFBKMPQASA-N 2 0 415.626 3.807 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](c2ccccc2)C1 ZINC000440326788 983722797 /nfs/dbraw/zinc/72/27/97/983722797.db2.gz LWJJIUAZEXPXJG-QFIPXVFZSA-N 2 0 407.587 3.674 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000440769831 983898494 /nfs/dbraw/zinc/89/84/94/983898494.db2.gz FYQDBNIJEBYKMH-GCJKJVERSA-N 2 0 406.574 3.840 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441181679 984104486 /nfs/dbraw/zinc/10/44/86/984104486.db2.gz IAVYAFKCZYPKAL-HXUWFJFHSA-N 2 0 409.521 3.837 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252899 984139800 /nfs/dbraw/zinc/13/98/00/984139800.db2.gz GZYDKDGXHWNTGZ-XOKHGSTOSA-N 2 0 400.350 3.506 20 0 HHADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000461801440 984788306 /nfs/dbraw/zinc/78/83/06/984788306.db2.gz FIAQNBMYJSVULT-NRFANRHFSA-N 2 0 400.611 3.805 20 0 HHADRP COCC[NH+]1CCC(Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000462070056 985042079 /nfs/dbraw/zinc/04/20/79/985042079.db2.gz VDIYMAWNIIJGTF-XMMPIXPASA-N 2 0 403.611 3.989 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCCOC)c3ccc(F)cc3)cn2)CC1 ZINC000442714756 985180949 /nfs/dbraw/zinc/18/09/49/985180949.db2.gz KTLNXNDAUPCQIK-QFIPXVFZSA-N 2 0 400.542 3.620 20 0 HHADRP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)s2)cc1 ZINC000442868765 985252563 /nfs/dbraw/zinc/25/25/63/985252563.db2.gz CVPBJKBTOWWGHS-MRXNPFEDSA-N 2 0 402.608 3.804 20 0 HHADRP CC[NH+](CC)CCOc1ccc(-c2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)cc1OC ZINC000443199190 985439341 /nfs/dbraw/zinc/43/93/41/985439341.db2.gz DABKEJPPDUMHQG-CALCHBBNSA-N 2 0 402.539 3.839 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C[NH+](C)C ZINC000443236495 985456789 /nfs/dbraw/zinc/45/67/89/985456789.db2.gz GFLGBGVPZOUBJX-MAUKXSAKSA-N 2 0 414.516 3.555 20 0 HHADRP C[C@@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462714189 985660573 /nfs/dbraw/zinc/66/05/73/985660573.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 2 0 420.601 3.717 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000462738873 985681932 /nfs/dbraw/zinc/68/19/32/985681932.db2.gz MAENWTQMGOLGRC-PMVMPFDFSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748833 985690021 /nfs/dbraw/zinc/69/00/21/985690021.db2.gz FSVRESFFKVSXHG-IFMALSPDSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044543 985703632 /nfs/dbraw/zinc/70/36/32/985703632.db2.gz JHICHVRCRIEISF-OXQOHEQNSA-N 2 0 421.632 3.706 20 0 HHADRP C[C@H](C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000462801729 985733781 /nfs/dbraw/zinc/73/37/81/985733781.db2.gz INTSJSAIWHPJME-ZJSXRUAMSA-N 3 0 404.618 3.604 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462803057 985735284 /nfs/dbraw/zinc/73/52/84/985735284.db2.gz PRRDGGWWWISUIZ-URXFXBBRSA-N 3 0 404.618 3.604 20 0 HHADRP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443600804 985777888 /nfs/dbraw/zinc/77/78/88/985777888.db2.gz GFODHGDLYDHYGP-LJQANCHMSA-N 2 0 415.578 3.697 20 0 HHADRP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443610696 985789510 /nfs/dbraw/zinc/78/95/10/985789510.db2.gz ZPFYHWBNGRXOBP-WOJBJXKFSA-N 2 0 401.595 3.849 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462879057 985804228 /nfs/dbraw/zinc/80/42/28/985804228.db2.gz PIGZLYRTOCSVRD-RCZVLFRGSA-N 3 0 418.645 3.995 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1 ZINC000463140414 986109208 /nfs/dbraw/zinc/10/92/08/986109208.db2.gz HDERZYHTGZUTNS-UHFFFAOYSA-N 2 0 402.608 3.931 20 0 HHADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000443916619 986118811 /nfs/dbraw/zinc/11/88/11/986118811.db2.gz FKSKZEYFWSIXJZ-UHFFFAOYSA-N 2 0 417.598 3.553 20 0 HHADRP Cc1csc(N2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)n1 ZINC000463156448 986127840 /nfs/dbraw/zinc/12/78/40/986127840.db2.gz NFIGUZMEXYMEAX-UHFFFAOYSA-N 2 0 400.592 3.685 20 0 HHADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468478236 986173628 /nfs/dbraw/zinc/17/36/28/986173628.db2.gz JUGQMMYOPJLPHD-FQEVSTJZSA-N 2 0 401.595 3.771 20 0 HHADRP Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000463262497 986231158 /nfs/dbraw/zinc/23/11/58/986231158.db2.gz AYGLRGDXAGBIRU-REWPJTCUSA-N 2 0 416.610 3.661 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000468628874 986346156 /nfs/dbraw/zinc/34/61/56/986346156.db2.gz RTDVTVDVBXOZGP-UHFFFAOYSA-N 2 0 418.379 3.969 20 0 HHADRP O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444205258 986384563 /nfs/dbraw/zinc/38/45/63/986384563.db2.gz LVDYTEVMDQIJAL-JOCHJYFZSA-N 2 0 417.619 3.598 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444543192 986732764 /nfs/dbraw/zinc/73/27/64/986732764.db2.gz JAQLUAMJFSKCBY-DEOSSOPVSA-N 2 0 421.585 3.742 20 0 HHADRP Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000469031935 986742165 /nfs/dbraw/zinc/74/21/65/986742165.db2.gz QHYSKYFGAZMROC-QHCPKHFHSA-N 2 0 422.573 3.878 20 0 HHADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783848 /nfs/dbraw/zinc/78/38/48/986783848.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 2 0 417.597 3.950 20 0 HHADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444962381 987096593 /nfs/dbraw/zinc/09/65/93/987096593.db2.gz UNYYUVLHURVHGC-QHCPKHFHSA-N 2 0 412.622 3.633 20 0 HHADRP C[C@H]([NH2+]C1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CCCC1)c1ccccc1 ZINC000469492075 987172765 /nfs/dbraw/zinc/17/27/65/987172765.db2.gz NNVRZXDOYHQTNV-NRFANRHFSA-N 2 0 413.606 3.801 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470067622 987963237 /nfs/dbraw/zinc/96/32/37/987963237.db2.gz SNQUHYCKWLBWGT-LPHOPBHVSA-N 2 0 414.516 3.728 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000470153490 988063418 /nfs/dbraw/zinc/06/34/18/988063418.db2.gz ZMXOTUXAUPHDJJ-QGZVFWFLSA-N 2 0 414.516 3.917 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463956401 988067773 /nfs/dbraw/zinc/06/77/73/988067773.db2.gz ZFRQRPIDJPEZKP-UNMCSNQZSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000470165386 988078557 /nfs/dbraw/zinc/07/85/57/988078557.db2.gz JNYYMUGEPVUAKO-RHSMWYFYSA-N 2 0 402.505 3.584 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1)C1CCOCC1 ZINC000464062956 988185334 /nfs/dbraw/zinc/18/53/34/988185334.db2.gz SKSKFGZXKVALQL-RJGXRXQPSA-N 2 0 416.606 3.861 20 0 HHADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470274558 988227420 /nfs/dbraw/zinc/22/74/20/988227420.db2.gz KUPIMYAYBRQJOR-DNVCBOLYSA-N 2 0 414.516 3.680 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284903 988241672 /nfs/dbraw/zinc/24/16/72/988241672.db2.gz SAPSYLFZKAKGFM-HSZRJFAPSA-N 2 0 400.611 3.803 20 0 HHADRP Brc1cc2cccnc2c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000470367203 988331179 /nfs/dbraw/zinc/33/11/79/988331179.db2.gz MIGJBEXSEJQDPZ-UHFFFAOYSA-N 2 0 404.352 3.542 20 0 HHADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675103 988699802 /nfs/dbraw/zinc/69/98/02/988699802.db2.gz PJKYGKIQRGXXRS-DEOSSOPVSA-N 2 0 400.526 3.984 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470738668 988776252 /nfs/dbraw/zinc/77/62/52/988776252.db2.gz XACRDVLMOBIEOE-IFMALSPDSA-N 2 0 412.622 3.934 20 0 HHADRP COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000470739842 988778404 /nfs/dbraw/zinc/77/84/04/988778404.db2.gz FZPOZZCUVJEEPB-UPVQGACJSA-N 2 0 424.589 3.604 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470744484 988783546 /nfs/dbraw/zinc/78/35/46/988783546.db2.gz GYMNJHQBNLPOKB-MQSCRBSSSA-N 2 0 400.611 3.660 20 0 HHADRP CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470748192 988788619 /nfs/dbraw/zinc/78/86/19/988788619.db2.gz VDAGWHDDPZLPHF-UXHICEINSA-N 2 0 400.592 3.657 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753554 988795527 /nfs/dbraw/zinc/79/55/27/988795527.db2.gz FHYVVMZHKKIDFX-RTWAWAEBSA-N 2 0 418.651 3.894 20 0 HHADRP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768944 988992853 /nfs/dbraw/zinc/99/28/53/988992853.db2.gz CPOWRDYQTIVXKW-VXKWHMMOSA-N 2 0 403.636 3.635 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000464829521 989068060 /nfs/dbraw/zinc/06/80/60/989068060.db2.gz OLIAGGQIRZDUCM-HSZRJFAPSA-N 2 0 400.611 3.696 20 0 HHADRP O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471007019 989074748 /nfs/dbraw/zinc/07/47/48/989074748.db2.gz LOTDMNXHHAXPJB-TWZJLLKVSA-N 2 0 406.570 3.505 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)CC1 ZINC000464880456 989143837 /nfs/dbraw/zinc/14/38/37/989143837.db2.gz XTLOOJQUWJNCNV-XMMPIXPASA-N 2 0 413.606 3.603 20 0 HHADRP COc1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000464984589 989289400 /nfs/dbraw/zinc/28/94/00/989289400.db2.gz OITATTAEDBBUNQ-QFIPXVFZSA-N 2 0 419.525 3.815 20 0 HHADRP c1c[nH]c([C@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](c5ncc[nH]5)C4)cc3)C2)n1 ZINC000471178862 989308999 /nfs/dbraw/zinc/30/89/99/989308999.db2.gz PSDWFNIPYXXYMX-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)c(NC[C@@H](c2ccco2)[NH+](C)C)nc1C ZINC000471242890 989388734 /nfs/dbraw/zinc/38/87/34/989388734.db2.gz HSRLUIUNSVRGNT-ROUUACIJSA-N 2 0 412.538 3.709 20 0 HHADRP Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)c(NC[C@@H](c2ccco2)[NH+](C)C)nc1C ZINC000471242888 989389184 /nfs/dbraw/zinc/38/91/84/989389184.db2.gz HSRLUIUNSVRGNT-HDICACEKSA-N 2 0 412.538 3.709 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471474730 989671179 /nfs/dbraw/zinc/67/11/79/989671179.db2.gz DSAQLRKARYSVDK-FCHUYYIVSA-N 2 0 410.562 3.628 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471496058 989693955 /nfs/dbraw/zinc/69/39/55/989693955.db2.gz KONGDWHMWJCOOW-VWNXMTODSA-N 2 0 406.574 3.645 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000471520504 989720334 /nfs/dbraw/zinc/72/03/34/989720334.db2.gz FLHRGPMKYJWWGL-DEOSSOPVSA-N 2 0 408.590 3.850 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000465393396 989743278 /nfs/dbraw/zinc/74/32/78/989743278.db2.gz CBQMQEYQJKMSGF-MDNUFGMLSA-N 2 0 400.611 3.659 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000465393397 989743637 /nfs/dbraw/zinc/74/36/37/989743637.db2.gz CBQMQEYQJKMSGF-MZYLBHOOSA-N 2 0 400.611 3.659 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000465423903 989768649 /nfs/dbraw/zinc/76/86/49/989768649.db2.gz AWYCHIVIWOFIEN-REWPJTCUSA-N 2 0 412.553 3.592 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437958 989783050 /nfs/dbraw/zinc/78/30/50/989783050.db2.gz XACKPONPLOXPHB-HYBUGGRVSA-N 2 0 424.589 3.604 20 0 HHADRP COc1cccc([C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[NH+](C)C)c1 ZINC000465437957 989783446 /nfs/dbraw/zinc/78/34/46/989783446.db2.gz XACKPONPLOXPHB-GBXCKJPGSA-N 2 0 424.589 3.604 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000471580261 989783999 /nfs/dbraw/zinc/78/39/99/989783999.db2.gz HFUFAYNAUTXKIK-UGSOOPFHSA-N 2 0 400.792 3.705 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459413 989800001 /nfs/dbraw/zinc/80/00/01/989800001.db2.gz UKHKTGQGEMODAN-ZVDOUQERSA-N 2 0 400.592 3.733 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000471610058 989814522 /nfs/dbraw/zinc/81/45/22/989814522.db2.gz DUVCNMSBHQYDKH-SCLBCKFNSA-N 2 0 400.792 3.705 20 0 HHADRP C[N@H+](CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471611227 989815299 /nfs/dbraw/zinc/81/52/99/989815299.db2.gz PMUWDRSALKMEKI-UHFFFAOYSA-N 2 0 418.548 3.746 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000465519171 989871487 /nfs/dbraw/zinc/87/14/87/989871487.db2.gz GAZXOGIOPQNTAQ-SXWKCWPCSA-N 2 0 400.611 3.790 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465528962 989888004 /nfs/dbraw/zinc/88/80/04/989888004.db2.gz UXCWELJHVWUBGE-SFTDATJTSA-N 2 0 407.002 3.993 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000465532513 989893104 /nfs/dbraw/zinc/89/31/04/989893104.db2.gz FZGFPVWIBJINEV-QFIPXVFZSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000465534729 989896345 /nfs/dbraw/zinc/89/63/45/989896345.db2.gz SSMFMSITXTYKTR-TXTKFYIRSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465534356 989896406 /nfs/dbraw/zinc/89/64/06/989896406.db2.gz PZWZLRNASAZTAL-XPNTWCBSSA-N 2 0 400.611 3.518 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000465551988 989915425 /nfs/dbraw/zinc/91/54/25/989915425.db2.gz ABDQGQOGLHMZHG-NZQKXSOJSA-N 2 0 400.611 3.934 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000465574611 989943072 /nfs/dbraw/zinc/94/30/72/989943072.db2.gz RBGFKQQNDSLAOV-HXUWFJFHSA-N 2 0 400.611 3.840 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000465633276 990019292 /nfs/dbraw/zinc/01/92/92/990019292.db2.gz PUKJXYAWVWSOBJ-XMMPIXPASA-N 2 0 408.590 3.802 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471858752 990031206 /nfs/dbraw/zinc/03/12/06/990031206.db2.gz SUOUIAPNPQFBBY-JLAWEPINSA-N 2 0 418.548 3.746 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000465724568 990110374 /nfs/dbraw/zinc/11/03/74/990110374.db2.gz SLUQUXJQJBJZPE-JWQCQUIFSA-N 2 0 422.617 3.713 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000465730123 990115536 /nfs/dbraw/zinc/11/55/36/990115536.db2.gz YHAWLHFFCPUZQQ-OALUTQOASA-N 2 0 414.516 3.738 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132648 /nfs/dbraw/zinc/13/26/48/990132648.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 2 0 400.592 3.562 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465753850 990139918 /nfs/dbraw/zinc/13/99/18/990139918.db2.gz KUGNDUZNKYXROR-FUPPJEDESA-N 2 0 414.638 3.906 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465760137 990145704 /nfs/dbraw/zinc/14/57/04/990145704.db2.gz SNSSOKRQWYKMOF-GGPKGHCWSA-N 2 0 406.640 3.941 20 0 HHADRP CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000465807681 990190475 /nfs/dbraw/zinc/19/04/75/990190475.db2.gz IEYBTARSYIBRIT-HSZRJFAPSA-N 2 0 423.605 3.565 20 0 HHADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819659 990202766 /nfs/dbraw/zinc/20/27/66/990202766.db2.gz VYJHOUUMZBUEGQ-PMACEKPBSA-N 2 0 404.624 3.524 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472046584 990214897 /nfs/dbraw/zinc/21/48/97/990214897.db2.gz ANSKSUSALNRMDI-HSZRJFAPSA-N 2 0 400.611 3.566 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472074974 990234819 /nfs/dbraw/zinc/23/48/19/990234819.db2.gz PWUUJNGIEVTUOR-SDUSCBPUSA-N 2 0 420.601 3.861 20 0 HHADRP C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000465872567 990986562 /nfs/dbraw/zinc/98/65/62/990986562.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 2 0 408.590 3.670 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466006903 991172383 /nfs/dbraw/zinc/17/23/83/991172383.db2.gz GZGQMZCZOHNIBU-UHFFFAOYSA-N 2 0 424.589 3.628 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000466054389 991225847 /nfs/dbraw/zinc/22/58/47/991225847.db2.gz WSTFWYIRUIKWQM-RDJZCZTQSA-N 2 0 415.409 3.939 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000466082784 991260137 /nfs/dbraw/zinc/26/01/37/991260137.db2.gz WNUOLMPIUAAUJY-SVFBPWRDSA-N 2 0 404.624 3.791 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291962 991541758 /nfs/dbraw/zinc/54/17/58/991541758.db2.gz WQTQVYLTGJWRPR-ZEQRLZLVSA-N 2 0 412.622 3.805 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291961 991541976 /nfs/dbraw/zinc/54/19/76/991541976.db2.gz WQTQVYLTGJWRPR-RPWUZVMVSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466872522 992193707 /nfs/dbraw/zinc/19/37/07/992193707.db2.gz LEXPMDFXKIYXLW-NHCUHLMSSA-N 2 0 422.617 3.747 20 0 HHADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000467211521 992536111 /nfs/dbraw/zinc/53/61/11/992536111.db2.gz MNXHYYNTULOXBW-UHFFFAOYSA-N 2 0 414.377 3.899 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000467384581 992699692 /nfs/dbraw/zinc/69/96/92/992699692.db2.gz XABVCZZEPDFUDH-KRWDZBQOSA-N 2 0 406.496 3.963 20 0 HHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467429006 992728233 /nfs/dbraw/zinc/72/82/33/992728233.db2.gz NOIIUDMFLRGJGM-OAQYLSRUSA-N 2 0 424.427 3.532 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1c1ccccc1 ZINC000472116376 993167912 /nfs/dbraw/zinc/16/79/12/993167912.db2.gz XIJMQZFUDGIYMM-TUNPWDSISA-N 2 0 424.511 3.536 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000472126361 993178845 /nfs/dbraw/zinc/17/88/45/993178845.db2.gz OOKBWFCQFJTHCB-SFHVURJKSA-N 2 0 414.981 3.708 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000472136655 993190860 /nfs/dbraw/zinc/19/08/60/993190860.db2.gz OJTMOULHMIVWGT-INIZCTEOSA-N 2 0 406.368 3.825 20 0 HHADRP CN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472291957 993307204 /nfs/dbraw/zinc/30/72/04/993307204.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 2 0 420.601 3.815 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472311382 993322883 /nfs/dbraw/zinc/32/28/83/993322883.db2.gz IEFDHTKBTNCZPJ-BJKOFHAPSA-N 2 0 412.622 3.806 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472366136 993363230 /nfs/dbraw/zinc/36/32/30/993363230.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 2 0 420.601 3.815 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)c1 ZINC000480741790 993608733 /nfs/dbraw/zinc/60/87/33/993608733.db2.gz ALLLCAVAWPWUBG-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000480771195 993635993 /nfs/dbraw/zinc/63/59/93/993635993.db2.gz URHRVAUERNRDQB-GOSISDBHSA-N 2 0 412.441 3.993 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781027 993648307 /nfs/dbraw/zinc/64/83/07/993648307.db2.gz PYJAOLCKPIQLPI-NVQXNPDNSA-N 2 0 422.617 3.553 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000480782680 993649142 /nfs/dbraw/zinc/64/91/42/993649142.db2.gz WRPHASUAEUOFLX-FQEVSTJZSA-N 2 0 424.589 3.512 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000480852592 993725511 /nfs/dbraw/zinc/72/55/11/993725511.db2.gz NEZBOEJJGHVBTK-UHFFFAOYSA-N 2 0 400.611 3.905 20 0 HHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000481049818 993892787 /nfs/dbraw/zinc/89/27/87/993892787.db2.gz NTWYNDPLLKTXOJ-YOEHRIQHSA-N 2 0 414.331 3.826 20 0 HHADRP C[NH+](C)[C@]1(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CCSC1 ZINC000481287153 994103609 /nfs/dbraw/zinc/10/36/09/994103609.db2.gz OWIKGQQFWMBQDT-QHCPKHFHSA-N 2 0 418.651 3.688 20 0 HHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000481303007 994118702 /nfs/dbraw/zinc/11/87/02/994118702.db2.gz AWZMAXIPUFRTRQ-NRFANRHFSA-N 2 0 408.590 3.894 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321911 994141196 /nfs/dbraw/zinc/14/11/96/994141196.db2.gz YOQXJXQYJVHTLQ-KCWXNJEJSA-N 2 0 413.631 3.673 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473508240 994358858 /nfs/dbraw/zinc/35/88/58/994358858.db2.gz QNYQIIMITMHNNW-SANMLTNESA-N 2 0 421.585 3.755 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473516642 994370787 /nfs/dbraw/zinc/37/07/87/994370787.db2.gz CYIFGGWNTRGRIK-KMFTYDHNSA-N 2 0 423.523 3.820 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000481546928 994379121 /nfs/dbraw/zinc/37/91/21/994379121.db2.gz RAQMCMSYAWMKMO-QGZVFWFLSA-N 2 0 404.551 3.792 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000481561618 994396245 /nfs/dbraw/zinc/39/62/45/994396245.db2.gz KQYXNJLICTUGFS-NQSCKRDGSA-N 2 0 422.491 3.945 20 0 HHADRP CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481571675 994407434 /nfs/dbraw/zinc/40/74/34/994407434.db2.gz YBDGWHUFVVKUBV-LJQANCHMSA-N 2 0 417.619 3.891 20 0 HHADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424290 /nfs/dbraw/zinc/42/42/90/994424290.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 2 0 421.560 3.628 20 0 HHADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481656420 994518607 /nfs/dbraw/zinc/51/86/07/994518607.db2.gz XVBFVBQNTXWNFH-LJQANCHMSA-N 2 0 416.031 3.945 20 0 HHADRP Cc1oc2ccc(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1C ZINC000481678383 994538036 /nfs/dbraw/zinc/53/80/36/994538036.db2.gz PNDRLMBSDGBQGC-UHFFFAOYSA-N 2 0 407.518 3.778 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000473734194 994631539 /nfs/dbraw/zinc/63/15/39/994631539.db2.gz GEGDGJLUEMOIHI-GZOXUSKESA-N 2 0 412.622 3.849 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819250 994746532 /nfs/dbraw/zinc/74/65/32/994746532.db2.gz FXAQLOCHLZIFNI-OFNKIYASSA-N 2 0 421.589 3.613 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)c2)CC1 ZINC000473820914 994749526 /nfs/dbraw/zinc/74/95/26/994749526.db2.gz DKODJJMDSYVDQW-XMMPIXPASA-N 2 0 421.589 3.787 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)c2)CC1 ZINC000473820913 994749671 /nfs/dbraw/zinc/74/96/71/994749671.db2.gz DKODJJMDSYVDQW-DEOSSOPVSA-N 2 0 421.589 3.787 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000473880462 994826752 /nfs/dbraw/zinc/82/67/52/994826752.db2.gz WRSHWXHXCFAXLE-PMACEKPBSA-N 2 0 408.590 3.704 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482084862 995024154 /nfs/dbraw/zinc/02/41/54/995024154.db2.gz QHSJGSJQCCPQGV-RPBOFIJWSA-N 2 0 419.569 3.999 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1)C1CCOCC1 ZINC000474055363 995044348 /nfs/dbraw/zinc/04/43/48/995044348.db2.gz SSGYJBOAJLACIK-IEZKXTBUSA-N 2 0 416.606 3.861 20 0 HHADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC(F)F ZINC000482117565 995064367 /nfs/dbraw/zinc/06/43/67/995064367.db2.gz CARHVULISROONY-HXUWFJFHSA-N 2 0 404.505 3.936 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000482238475 995220848 /nfs/dbraw/zinc/22/08/48/995220848.db2.gz YKRLUCNHWPJCLI-FQEVSTJZSA-N 2 0 421.463 3.654 20 0 HHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000482245266 995226227 /nfs/dbraw/zinc/22/62/27/995226227.db2.gz POGBCNWNSOVBTA-INIZCTEOSA-N 2 0 405.489 3.739 20 0 HHADRP Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000474239364 995237057 /nfs/dbraw/zinc/23/70/57/995237057.db2.gz OLRFQBRODRDBTR-DEOSSOPVSA-N 2 0 421.589 3.757 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482259342 995237215 /nfs/dbraw/zinc/23/72/15/995237215.db2.gz DMRTUQYDGCOXAP-UPVQGACJSA-N 2 0 412.622 3.803 20 0 HHADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000474347778 995327545 /nfs/dbraw/zinc/32/75/45/995327545.db2.gz LEROEURSAKSTBZ-UHFFFAOYSA-N 2 0 418.379 3.637 20 0 HHADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000474349794 995329612 /nfs/dbraw/zinc/32/96/12/995329612.db2.gz JHVZSMWFOZCJAR-UHFFFAOYSA-N 2 0 424.427 3.887 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474466225 995428351 /nfs/dbraw/zinc/42/83/51/995428351.db2.gz ZNDBCOQIPUJRNN-CYBMUJFWSA-N 2 0 408.306 3.584 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000474513517 995475025 /nfs/dbraw/zinc/47/50/25/995475025.db2.gz NGKMSLXWJDGPRF-NHCUHLMSSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000474513519 995475184 /nfs/dbraw/zinc/47/51/84/995475184.db2.gz NGKMSLXWJDGPRF-RMNGQBEXSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000474517049 995480993 /nfs/dbraw/zinc/48/09/93/995480993.db2.gz PDNQIYSIVPTABG-XPNTWCBSSA-N 2 0 412.622 3.803 20 0 HHADRP CN(c1ccccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1)C1CC[NH+](C)CC1 ZINC000482490172 995500023 /nfs/dbraw/zinc/50/00/23/995500023.db2.gz XKKOGGYMCOZXDX-UHFFFAOYSA-N 2 0 422.621 3.524 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482544389 995552458 /nfs/dbraw/zinc/55/24/58/995552458.db2.gz RWLSFMVNSHUDMT-QFBILLFUSA-N 2 0 400.592 3.665 20 0 HHADRP Cc1cccc(COc2ccc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545835 995554462 /nfs/dbraw/zinc/55/44/62/995554462.db2.gz ZZSIUXHJRJQHRJ-REWPJTCUSA-N 2 0 409.574 3.812 20 0 HHADRP Cc1c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482545992 995554661 /nfs/dbraw/zinc/55/46/61/995554661.db2.gz BMWUGSLDNFYRFJ-QGZVFWFLSA-N 2 0 411.525 3.549 20 0 HHADRP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000474615253 995567410 /nfs/dbraw/zinc/56/74/10/995567410.db2.gz QCSIDGSYYWYGAG-WABOPAKDSA-N 2 0 402.579 3.897 20 0 HHADRP COCCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000482570122 995574906 /nfs/dbraw/zinc/57/49/06/995574906.db2.gz SMILQGXODFGALX-HXUWFJFHSA-N 2 0 412.416 3.534 20 0 HHADRP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000482623791 995618760 /nfs/dbraw/zinc/61/87/60/995618760.db2.gz QSDANTHCVXNSSY-BVSLBCMMSA-N 2 0 400.611 3.659 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000474719954 995657493 /nfs/dbraw/zinc/65/74/93/995657493.db2.gz OFNULHVLXKSKBZ-MSYCTHLASA-N 2 0 409.574 3.674 20 0 HHADRP CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475009682 995866356 /nfs/dbraw/zinc/86/63/56/995866356.db2.gz RNUQKIHOOREAJS-VWNXMTODSA-N 2 0 424.589 3.604 20 0 HHADRP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475012585 995869037 /nfs/dbraw/zinc/86/90/37/995869037.db2.gz IYIILISDXQUODU-DNQXCXABSA-N 2 0 406.574 3.739 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475016359 995872525 /nfs/dbraw/zinc/87/25/25/995872525.db2.gz ONAJHEFQXZQPCJ-XMMPIXPASA-N 2 0 408.590 3.944 20 0 HHADRP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034138 995883879 /nfs/dbraw/zinc/88/38/79/995883879.db2.gz USSKDDFCZOMUOW-PMACEKPBSA-N 2 0 400.592 3.657 20 0 HHADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475118977 995933558 /nfs/dbraw/zinc/93/35/58/995933558.db2.gz NBVLFPWSMIFJSW-RUZDIDTESA-N 2 0 410.606 3.559 20 0 HHADRP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475130569 995941718 /nfs/dbraw/zinc/94/17/18/995941718.db2.gz QPDSBHJPKBVCEM-BJKOFHAPSA-N 2 0 406.574 3.739 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475139364 995947851 /nfs/dbraw/zinc/94/78/51/995947851.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 2 0 408.590 3.943 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000475147965 995954250 /nfs/dbraw/zinc/95/42/50/995954250.db2.gz ARXKLWHASCXYSK-KXBFYZLASA-N 2 0 409.452 3.655 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177221 995974557 /nfs/dbraw/zinc/97/45/57/995974557.db2.gz YMTDGDNHKNUKMY-QHCPKHFHSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000483201103 996034326 /nfs/dbraw/zinc/03/43/26/996034326.db2.gz OJMGHFKOCOBIDE-UTKZUKDTSA-N 2 0 421.607 3.775 20 0 HHADRP Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000483299495 996087146 /nfs/dbraw/zinc/08/71/46/996087146.db2.gz VULIGHYKMRYVRK-PMACEKPBSA-N 2 0 417.619 3.679 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C[C@H]1C ZINC000483526933 996233491 /nfs/dbraw/zinc/23/34/91/996233491.db2.gz BGVGGBODMNSYOA-UNWVZKJWSA-N 2 0 416.610 3.736 20 0 HHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483620966 996291030 /nfs/dbraw/zinc/29/10/30/996291030.db2.gz HCHGOGVVLCKXGW-MQSCRBSSSA-N 2 0 400.611 3.945 20 0 HHADRP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000483627395 996295323 /nfs/dbraw/zinc/29/53/23/996295323.db2.gz VGPBWIIBOYAGQS-YWZLYKJASA-N 2 0 409.496 3.831 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475736359 996335289 /nfs/dbraw/zinc/33/52/89/996335289.db2.gz GWSSSESCOCTVPN-UHFFFAOYSA-N 2 0 422.411 3.650 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737280 996336178 /nfs/dbraw/zinc/33/61/78/996336178.db2.gz LBPKYTAHOAQBKC-AZGAKELHSA-N 2 0 424.585 3.561 20 0 HHADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000483708250 996341107 /nfs/dbraw/zinc/34/11/07/996341107.db2.gz GVWNENQTSZPQKV-SFHVURJKSA-N 2 0 419.591 3.531 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483724828 996351148 /nfs/dbraw/zinc/35/11/48/996351148.db2.gz HKOXHKSFLSLDOS-MJUUVYJYSA-N 2 0 407.624 3.536 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000483724834 996351310 /nfs/dbraw/zinc/35/13/10/996351310.db2.gz HKOXHKSFLSLDOS-ZIBCJSCZSA-N 2 0 407.624 3.536 20 0 HHADRP C[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000483894009 996453981 /nfs/dbraw/zinc/45/39/81/996453981.db2.gz GBVVXPRUTWONJJ-UHFFFAOYSA-N 2 0 404.624 3.664 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000475952343 996496024 /nfs/dbraw/zinc/49/60/24/996496024.db2.gz BKQXDPNNHAPJKZ-QFIPXVFZSA-N 2 0 400.611 3.631 20 0 HHADRP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000483974563 996501068 /nfs/dbraw/zinc/50/10/68/996501068.db2.gz MFPNBIDRGNQKME-QPPBQGQZSA-N 2 0 408.590 3.718 20 0 HHADRP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2Br)CC1 ZINC000484178812 996619890 /nfs/dbraw/zinc/61/98/90/996619890.db2.gz YCDZGVKZUNSVHY-HXUWFJFHSA-N 2 0 421.354 3.918 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484711802 997050769 /nfs/dbraw/zinc/05/07/69/997050769.db2.gz BDFHBMNPLFBBLR-QFBILLFUSA-N 2 0 414.516 3.681 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716785 997056709 /nfs/dbraw/zinc/05/67/09/997056709.db2.gz VMIBHKSLZPPNBK-KCZVDYSFSA-N 2 0 423.605 3.589 20 0 HHADRP C[N@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258885 /nfs/dbraw/zinc/25/88/85/997258885.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 2 0 406.574 3.613 20 0 HHADRP CN(C(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476722455 997268652 /nfs/dbraw/zinc/26/86/52/997268652.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 2 0 411.512 3.628 20 0 HHADRP C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000476906097 997512016 /nfs/dbraw/zinc/51/20/16/997512016.db2.gz MFGDLEMMMPRDEE-HYBUGGRVSA-N 2 0 406.574 3.745 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000476978475 997598045 /nfs/dbraw/zinc/59/80/45/997598045.db2.gz CEPRFDUXBKWROC-SFHVURJKSA-N 2 0 423.548 3.881 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000476988682 997614209 /nfs/dbraw/zinc/61/42/09/997614209.db2.gz SYGUXNIAOHRXOF-GOSISDBHSA-N 2 0 401.551 3.720 20 0 HHADRP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccc(C[NH+]4CC[C@H]5[C@H](CCC[N@H+]5C)C4)cc3)CC[C@H]21 ZINC000485336069 997752138 /nfs/dbraw/zinc/75/21/38/997752138.db2.gz IDFOOGRQCOZFHU-POTDNYQPSA-N 4 0 410.650 3.519 20 0 HHADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218149 997891385 /nfs/dbraw/zinc/89/13/85/997891385.db2.gz FXNVLSMUNWVVQS-NOZRDPDXSA-N 2 0 421.585 3.828 20 0 HHADRP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218155 997891465 /nfs/dbraw/zinc/89/14/65/997891465.db2.gz FXNVLSMUNWVVQS-ZCYQVOJMSA-N 2 0 421.585 3.828 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000485501372 997956312 /nfs/dbraw/zinc/95/63/12/997956312.db2.gz KUSZFQCVWSVAFU-LADGPHEKSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1 ZINC000477359618 998048476 /nfs/dbraw/zinc/04/84/76/998048476.db2.gz LOKRVFZRHUIUNO-GOSISDBHSA-N 2 0 418.532 3.559 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000477377464 998065035 /nfs/dbraw/zinc/06/50/35/998065035.db2.gz GZZURWNSSVKMJC-FYYLOGMGSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477440116 998138798 /nfs/dbraw/zinc/13/87/98/998138798.db2.gz QSVJWCFGBIOTNI-UZLBHIALSA-N 2 0 416.006 3.663 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000485713383 998180411 /nfs/dbraw/zinc/18/04/11/998180411.db2.gz CGOANXJDJDZDCT-UHFFFAOYSA-N 2 0 410.400 3.509 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000477523265 998242946 /nfs/dbraw/zinc/24/29/46/998242946.db2.gz JUYOEAPSNFLXSL-LJQANCHMSA-N 2 0 415.603 3.601 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250096 /nfs/dbraw/zinc/25/00/96/998250096.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 2 0 412.622 3.585 20 0 HHADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486331900 998715814 /nfs/dbraw/zinc/71/58/14/998715814.db2.gz KOYVDNCUSQWYGT-GGAORHGYSA-N 2 0 400.611 3.708 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)nc2)CC1 ZINC000478329948 998892640 /nfs/dbraw/zinc/89/26/40/998892640.db2.gz VNTMUBKNSJOKNL-UHFFFAOYSA-N 2 0 421.589 3.850 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478411947 998943606 /nfs/dbraw/zinc/94/36/06/998943606.db2.gz DJARICRXGCKDDA-JOCHJYFZSA-N 2 0 400.611 3.662 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478416024 998946374 /nfs/dbraw/zinc/94/63/74/998946374.db2.gz INJLRWLZPBJFPK-YLJYHZDGSA-N 2 0 424.992 3.893 20 0 HHADRP CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2Br)C2CCCC2)CC1 ZINC000486804946 998947547 /nfs/dbraw/zinc/94/75/47/998947547.db2.gz SRUVTMBCOJYZGF-UHFFFAOYSA-N 2 0 422.411 3.794 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C[NH+]1CCCC1 ZINC000478423088 998949866 /nfs/dbraw/zinc/94/98/66/998949866.db2.gz XCMYOKRPPKQNEV-RUZDIDTESA-N 2 0 412.622 3.806 20 0 HHADRP CC(C)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000487208947 999097159 /nfs/dbraw/zinc/09/71/59/999097159.db2.gz KIHALJLLWRFFAJ-MKDIIBRNSA-N 2 0 420.548 3.803 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000478807656 999150547 /nfs/dbraw/zinc/15/05/47/999150547.db2.gz RIUSUGJVBNEGPB-GBXCKJPGSA-N 2 0 408.590 3.684 20 0 HHADRP COCCC1(C[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000478911218 999206115 /nfs/dbraw/zinc/20/61/15/999206115.db2.gz MSFQQNGSQSVMCN-NRFANRHFSA-N 2 0 415.622 3.732 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000487556456 999212798 /nfs/dbraw/zinc/21/27/98/999212798.db2.gz JZWZCAUGUUULEB-UHFFFAOYSA-N 2 0 411.615 3.748 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479246485 999344680 /nfs/dbraw/zinc/34/46/80/999344680.db2.gz DJMVJNCSBNLYPT-GFCCVEGCSA-N 2 0 409.290 3.823 20 0 HHADRP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488009648 999346649 /nfs/dbraw/zinc/34/66/49/999346649.db2.gz URLSBTFVSTVFCE-RXVVDRJESA-N 2 0 412.553 3.597 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479327086 999386824 /nfs/dbraw/zinc/38/68/24/999386824.db2.gz QMQLBKSURFIDRW-SFHVURJKSA-N 2 0 403.592 3.643 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000479341102 999393812 /nfs/dbraw/zinc/39/38/12/999393812.db2.gz YPTBZSYJISFSOV-SFHVURJKSA-N 2 0 403.592 3.642 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000479347032 999396404 /nfs/dbraw/zinc/39/64/04/999396404.db2.gz OVZBSHBFVRBVRQ-QHCPKHFHSA-N 2 0 409.574 3.618 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000479357090 999401528 /nfs/dbraw/zinc/40/15/28/999401528.db2.gz HNMUQTOQTFKOFM-OFNKIYASSA-N 2 0 400.611 3.790 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438985 999417812 /nfs/dbraw/zinc/41/78/12/999417812.db2.gz PIHZHTWHBWSRBI-UKILVPOCSA-N 2 0 416.569 3.996 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479452871 999424223 /nfs/dbraw/zinc/42/42/23/999424223.db2.gz IKOHPKNNYIWQFB-DYXWJJEUSA-N 2 0 415.603 3.512 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478537 999434795 /nfs/dbraw/zinc/43/47/95/999434795.db2.gz NKIZRSBLBKBERQ-WQUXRXDGSA-N 2 0 405.549 3.518 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000488334723 999445573 /nfs/dbraw/zinc/44/55/73/999445573.db2.gz XDAMRRVXXOAWBD-KMDXXIMOSA-N 2 0 422.573 3.575 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000488334726 999445651 /nfs/dbraw/zinc/44/56/51/999445651.db2.gz XDAMRRVXXOAWBD-WXFUMESZSA-N 2 0 422.573 3.575 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000488378437 999465452 /nfs/dbraw/zinc/46/54/52/999465452.db2.gz VSNVQYPTMNBDBE-QGZVFWFLSA-N 2 0 402.608 3.697 20 0 HHADRP Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000488995481 999667340 /nfs/dbraw/zinc/66/73/40/999667340.db2.gz IECFCWPTVBCWIZ-LEWJYISDSA-N 2 0 406.574 3.699 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000480029802 999693556 /nfs/dbraw/zinc/69/35/56/999693556.db2.gz MYOGJRTVJCYKDF-NRFANRHFSA-N 2 0 423.605 3.685 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489222235 999725251 /nfs/dbraw/zinc/72/52/51/999725251.db2.gz GYMQSZNSGNTNPV-FQEVSTJZSA-N 2 0 406.640 3.868 20 0 HHADRP CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000480159955 999733599 /nfs/dbraw/zinc/73/35/99/999733599.db2.gz NHFMPDSUGSVZJU-XXBNENTESA-N 2 0 417.619 3.965 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278576 999735652 /nfs/dbraw/zinc/73/56/52/999735652.db2.gz RSIUXSUAPYAVFP-ZEQRLZLVSA-N 2 0 424.589 3.743 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238138 999753388 /nfs/dbraw/zinc/75/33/88/999753388.db2.gz ALWMXJYKIKIAPF-VSKRKVRLSA-N 2 0 423.601 3.983 20 0 HHADRP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000489396112 999758347 /nfs/dbraw/zinc/75/83/47/999758347.db2.gz UFLFDYBMMLHSJZ-VEYUFSJPSA-N 4 0 410.650 3.519 20 0 HHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329048 999772508 /nfs/dbraw/zinc/77/25/08/999772508.db2.gz GATGLZLNQACHOM-RHSMWYFYSA-N 2 0 417.413 3.768 20 0 HHADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)c(F)c1 ZINC000489587517 999798156 /nfs/dbraw/zinc/79/81/56/999798156.db2.gz PXCTWWRSLDEOJZ-AWEZNQCLSA-N 2 0 407.331 3.586 20 0 HHADRP Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OC(C)C ZINC000489594392 999799119 /nfs/dbraw/zinc/79/91/19/999799119.db2.gz XKNKXIVRUYOXLG-UHFFFAOYSA-N 2 0 411.550 3.511 20 0 HHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](C)CC1 ZINC000480550696 999824325 /nfs/dbraw/zinc/82/43/25/999824325.db2.gz MLKWEAGVFULXQX-PBHICJAKSA-N 2 0 421.479 3.812 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000489737063 999828030 /nfs/dbraw/zinc/82/80/30/999828030.db2.gz DYJKLSNSRCRFGS-QFIPXVFZSA-N 2 0 400.611 3.505 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000480571226 999829255 /nfs/dbraw/zinc/82/92/55/999829255.db2.gz ZEHMFBOSANEBCN-QHCPKHFHSA-N 2 0 412.578 3.638 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747032 999829962 /nfs/dbraw/zinc/82/99/62/999829962.db2.gz VUSPEDKFSGNWJJ-FGZHOGPDSA-N 2 0 404.562 3.892 20 0 HHADRP c1c[nH]c([C@@H]2CCC[NH+](Cc3ccccc3C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000489747034 999830031 /nfs/dbraw/zinc/83/00/31/999830031.db2.gz VUSPEDKFSGNWJJ-SZPZYZBQSA-N 2 0 404.562 3.892 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000480608501 999839545 /nfs/dbraw/zinc/83/95/45/999839545.db2.gz JTEMEOJQJWYODU-CJFMBICVSA-N 2 0 411.590 3.603 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489802537 999841312 /nfs/dbraw/zinc/84/13/12/999841312.db2.gz CRSBSXHWDRLDQV-RBUKOAKNSA-N 2 0 414.516 3.651 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822576 999844036 /nfs/dbraw/zinc/84/40/36/999844036.db2.gz BJSDFTISAIHZJH-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489824317 999844549 /nfs/dbraw/zinc/84/45/49/999844549.db2.gz DTSHLMMJLFOLCI-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000489836422 999846842 /nfs/dbraw/zinc/84/68/42/999846842.db2.gz QLBGXLQZIRUHFP-FUPPJEDESA-N 2 0 400.611 3.851 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000489844101 999848306 /nfs/dbraw/zinc/84/83/06/999848306.db2.gz XMVIAPBHFLZBSQ-GBXCKJPGSA-N 2 0 424.589 3.796 20 0 HHADRP COc1cccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000489869840 999851929 /nfs/dbraw/zinc/85/19/29/999851929.db2.gz AVVAQORHDJQMIB-DEOSSOPVSA-N 2 0 424.589 3.604 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(NC(=O)NC(C)C)cc3)cn2)CC1 ZINC000480690698 999860122 /nfs/dbraw/zinc/86/01/22/999860122.db2.gz BBGCZCCQWYJKGM-IBGZPJMESA-N 2 0 424.593 3.604 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490124850 999896747 /nfs/dbraw/zinc/89/67/47/999896747.db2.gz LTCVRCXKNVTOEC-QFIPXVFZSA-N 2 0 403.517 3.995 20 0 HHADRP C[C@@H]1C[N@H+](CC/C=C/c2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490649359 999988741 /nfs/dbraw/zinc/98/87/41/999988741.db2.gz OKUFADQPFMBPBV-NCOWTXHESA-N 2 0 406.412 3.810 20 0 HHADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490769786 1000003708 /nfs/dbraw/zinc/00/37/08/1000003708.db2.gz NPJACZVZXFHJED-GVXSCFBNSA-N 2 0 405.586 3.925 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000490952845 1000026729 /nfs/dbraw/zinc/02/67/29/1000026729.db2.gz SUKYRTAGKQKNSJ-IBGZPJMESA-N 2 0 418.651 3.910 20 0 HHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491259880 1000059657 /nfs/dbraw/zinc/05/96/57/1000059657.db2.gz RVWHTTRHYFIIIM-UHFFFAOYSA-N 2 0 401.514 3.841 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000491310821 1000063797 /nfs/dbraw/zinc/06/37/97/1000063797.db2.gz SBXYXIKSINILQF-TZIWHRDSSA-N 2 0 424.593 3.572 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cc(Br)cs1 ZINC000491866514 1000098497 /nfs/dbraw/zinc/09/84/97/1000098497.db2.gz IDFTUNKKQICVHW-CYBMUJFWSA-N 2 0 416.429 3.788 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000492226258 1000116317 /nfs/dbraw/zinc/11/63/17/1000116317.db2.gz VDTZUFWGFAOSKI-VWLOTQADSA-N 2 0 407.558 3.744 20 0 HHADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492370545 1000123743 /nfs/dbraw/zinc/12/37/43/1000123743.db2.gz AURLZOXGGUJCJJ-UHFFFAOYSA-N 2 0 400.519 3.544 20 0 HHADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000493077028 1000156595 /nfs/dbraw/zinc/15/65/95/1000156595.db2.gz IIEIWUPUGMTXTB-UHFFFAOYSA-N 2 0 409.496 3.614 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC3 ZINC000493209148 1000163130 /nfs/dbraw/zinc/16/31/30/1000163130.db2.gz XSVMPLRKFGRNPG-LJQANCHMSA-N 2 0 410.606 3.550 20 0 HHADRP O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493499810 1000176374 /nfs/dbraw/zinc/17/63/74/1000176374.db2.gz HAXANSPIZISYHJ-RPBOFIJWSA-N 2 0 405.586 3.900 20 0 HHADRP Cc1nc2ccc(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2s1 ZINC000494027819 1000274850 /nfs/dbraw/zinc/27/48/50/1000274850.db2.gz OANZOQHBLNPXOJ-UHFFFAOYSA-N 2 0 408.571 3.720 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000504583796 1000280362 /nfs/dbraw/zinc/28/03/62/1000280362.db2.gz ZXJXSTKHXUFLPP-GOSISDBHSA-N 2 0 412.553 3.520 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000504653546 1000310465 /nfs/dbraw/zinc/31/04/65/1000310465.db2.gz DPMGVEPYTOVRPR-SZPZYZBQSA-N 2 0 414.638 3.549 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000504779487 1000366647 /nfs/dbraw/zinc/36/66/47/1000366647.db2.gz RNJQTNDXNKZYPE-UHFFFAOYSA-N 2 0 424.589 3.722 20 0 HHADRP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504887138 1000428218 /nfs/dbraw/zinc/42/82/18/1000428218.db2.gz AIBPLBJVIABBPN-KNQAVFIVSA-N 2 0 410.562 3.553 20 0 HHADRP Cc1ccc(C)c(OCC[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000494579787 1000562874 /nfs/dbraw/zinc/56/28/74/1000562874.db2.gz MKFMYLUPXSDSFI-UHFFFAOYSA-N 2 0 423.601 3.642 20 0 HHADRP COC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000494648500 1000587795 /nfs/dbraw/zinc/58/77/95/1000587795.db2.gz LBDZCRIRDPKFIS-QFIPXVFZSA-N 2 0 415.965 3.643 20 0 HHADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000494871849 1000706473 /nfs/dbraw/zinc/70/64/73/1000706473.db2.gz DAWAUHPNAQQSDB-WIOPSUGQSA-N 2 0 411.565 3.701 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000495085212 1000824026 /nfs/dbraw/zinc/82/40/26/1000824026.db2.gz KVDDMPVQXLJRGR-FQEVSTJZSA-N 2 0 423.601 3.750 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000495299363 1000957837 /nfs/dbraw/zinc/95/78/37/1000957837.db2.gz KBBCUFKNVKACHD-IBGZPJMESA-N 2 0 420.598 3.707 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000505737629 1001000272 /nfs/dbraw/zinc/00/02/72/1001000272.db2.gz GXYQBYCUCYDMJF-QFIPXVFZSA-N 2 0 419.573 3.514 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505760875 1001010143 /nfs/dbraw/zinc/01/01/43/1001010143.db2.gz ZJZAPGPBXOMXJE-NZSAHSFTSA-N 2 0 411.512 3.683 20 0 HHADRP CN(C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000495449180 1001016215 /nfs/dbraw/zinc/01/62/15/1001016215.db2.gz AVBLIXUCUUBXLT-WCRBZPEASA-N 2 0 419.013 3.819 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1Cl ZINC000505790186 1001024858 /nfs/dbraw/zinc/02/48/58/1001024858.db2.gz PJOUZPVNIQGWQV-OAHLLOKOSA-N 2 0 416.791 3.591 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000505802954 1001034367 /nfs/dbraw/zinc/03/43/67/1001034367.db2.gz SCWREUNMXBIDDI-NRFANRHFSA-N 2 0 414.619 3.536 20 0 HHADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1Br ZINC000506051182 1001192168 /nfs/dbraw/zinc/19/21/68/1001192168.db2.gz INSAOSDCDLWTGD-UHFFFAOYSA-N 2 0 411.384 3.782 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497515093 1001414049 /nfs/dbraw/zinc/41/40/49/1001414049.db2.gz CIZAGTCEVNIYTH-FQEVSTJZSA-N 2 0 406.368 3.749 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[NH+]2CCCC2)o1 ZINC000506470535 1001426816 /nfs/dbraw/zinc/42/68/16/1001426816.db2.gz SIFURNFRHVISOO-RBBKRZOGSA-N 2 0 413.537 3.892 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000497619834 1001461138 /nfs/dbraw/zinc/46/11/38/1001461138.db2.gz FCQNASNNQFEELN-RBBKRZOGSA-N 2 0 419.013 3.678 20 0 HHADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506907750 1001589273 /nfs/dbraw/zinc/58/92/73/1001589273.db2.gz HVUPXBJGKCTMIA-UHFFFAOYSA-N 2 0 410.562 3.556 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000506934166 1001601638 /nfs/dbraw/zinc/60/16/38/1001601638.db2.gz OIAKFMGUTURZTL-NHCUHLMSSA-N 2 0 422.683 3.644 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022097 1001608929 /nfs/dbraw/zinc/60/89/29/1001608929.db2.gz CVAUQBPTLKHQJK-LMNJBCLMSA-N 2 0 418.582 3.872 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498115563 1001647286 /nfs/dbraw/zinc/64/72/86/1001647286.db2.gz AWKRMUQJLZHAEJ-ZEYPLWLESA-N 2 0 412.553 3.638 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000498155333 1001666880 /nfs/dbraw/zinc/66/68/80/1001666880.db2.gz INTWGSHFZYZSSE-KZTDQWPFSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000506949418 1001723771 /nfs/dbraw/zinc/72/37/71/1001723771.db2.gz IVHSEFFDPDYSMM-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)CC(C)C ZINC000507052974 1001783385 /nfs/dbraw/zinc/78/33/85/1001783385.db2.gz KJSLFZVLZNBZIJ-TZIWHRDSSA-N 2 0 403.615 3.865 20 0 HHADRP Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000507184360 1001874429 /nfs/dbraw/zinc/87/44/29/1001874429.db2.gz RWUAQVZTVQANTN-OAQYLSRUSA-N 2 0 409.599 3.972 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000498460183 1001887620 /nfs/dbraw/zinc/88/76/20/1001887620.db2.gz AWHHCWNZROEJNY-FQEVSTJZSA-N 2 0 413.537 3.754 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000498514765 1001938727 /nfs/dbraw/zinc/93/87/27/1001938727.db2.gz PWRVZLMEZYKGST-UHFFFAOYSA-N 2 0 412.537 3.595 20 0 HHADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507505471 1002117306 /nfs/dbraw/zinc/11/73/06/1002117306.db2.gz DUKKHUMGKGEXTF-CCSDVLNMSA-N 2 0 400.513 3.724 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898947 1002289596 /nfs/dbraw/zinc/28/95/96/1002289596.db2.gz UCTVBKURGSOSKR-YFXJRYMSSA-N 2 0 412.553 3.781 20 0 HHADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498901019 1002292309 /nfs/dbraw/zinc/29/23/09/1002292309.db2.gz LFBZTXRTUWDKPR-GGAORHGYSA-N 2 0 400.611 3.947 20 0 HHADRP O=C1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187961 1002577274 /nfs/dbraw/zinc/57/72/74/1002577274.db2.gz FPZKALXSGSWIDJ-JBXUNAHCSA-N 2 0 403.570 3.820 20 0 HHADRP CCc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)ncn1 ZINC000499239811 1002631078 /nfs/dbraw/zinc/63/10/78/1002631078.db2.gz QANQVOXNANQXGT-BKFWDETESA-N 2 0 405.590 3.793 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)C1 ZINC000508131864 1002663959 /nfs/dbraw/zinc/66/39/59/1002663959.db2.gz LLDLBCFDANQZFM-BGYRXZFFSA-N 2 0 400.611 3.648 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698067 1003135998 /nfs/dbraw/zinc/13/59/98/1003135998.db2.gz NLTDMMLIAZHKGC-NGYIFUPDSA-N 2 0 407.558 3.804 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508718988 1003158845 /nfs/dbraw/zinc/15/88/45/1003158845.db2.gz OOMSCOCFWQTULM-RNJDCESWSA-N 3 0 420.645 3.865 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721438 1003161911 /nfs/dbraw/zinc/16/19/11/1003161911.db2.gz URHFTYZCBNTAAS-FCEUIQTBSA-N 2 0 409.574 3.783 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508908400 1003348020 /nfs/dbraw/zinc/34/80/20/1003348020.db2.gz SIEJLVVCMLKVQS-QZNHQXDQSA-N 2 0 400.611 3.975 20 0 HHADRP Cc1c2cccc(Cl)c2oc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500033452 1003356592 /nfs/dbraw/zinc/35/65/92/1003356592.db2.gz WJHXZWNUOXDZBV-UHFFFAOYSA-N 2 0 412.921 3.732 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500143033 1003501931 /nfs/dbraw/zinc/50/19/31/1003501931.db2.gz XAKNWLGXXLQMIV-XMMPIXPASA-N 2 0 406.574 3.746 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039298 1003509264 /nfs/dbraw/zinc/50/92/64/1003509264.db2.gz PMFJMJFLIUTAAG-SESVDKBCSA-N 2 0 407.002 3.849 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000500601780 1003816722 /nfs/dbraw/zinc/81/67/22/1003816722.db2.gz MUSKZOWCIHAVMO-GGAORHGYSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719522 1003919024 /nfs/dbraw/zinc/91/90/24/1003919024.db2.gz IGQCVGFEDKVAKF-PMACEKPBSA-N 2 0 415.626 3.696 20 0 HHADRP Cn1cc(-c2ccc(C[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)s2)cn1 ZINC000509537744 1003931731 /nfs/dbraw/zinc/93/17/31/1003931731.db2.gz HFTURYHWDMSOFX-UHFFFAOYSA-N 2 0 423.630 3.836 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000500753053 1003937863 /nfs/dbraw/zinc/93/78/63/1003937863.db2.gz HORDYNAXEJEGCI-HXUWFJFHSA-N 2 0 406.640 3.724 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604391 1003974275 /nfs/dbraw/zinc/97/42/75/1003974275.db2.gz SWZMASLESVOBLA-GHTZIAJQSA-N 2 0 413.566 3.662 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1)C1CC1 ZINC000512122239 1004038142 /nfs/dbraw/zinc/03/81/42/1004038142.db2.gz KYHRWOCXEHNRHT-UHFFFAOYSA-N 2 0 406.574 3.671 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000512171563 1004074726 /nfs/dbraw/zinc/07/47/26/1004074726.db2.gz HKKZYILGYQANPV-DEOSSOPVSA-N 2 0 422.617 3.891 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500979519 1004091968 /nfs/dbraw/zinc/09/19/68/1004091968.db2.gz QCQUTPNAQMFGNM-UHFFFAOYSA-N 2 0 413.437 3.922 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC000501005235 1004110397 /nfs/dbraw/zinc/11/03/97/1004110397.db2.gz AQDAXFQCYCYUFF-HSZRJFAPSA-N 2 0 422.608 3.886 20 0 HHADRP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046594 1004148352 /nfs/dbraw/zinc/14/83/52/1004148352.db2.gz QJZWZHLDLGQUMI-UHFFFAOYSA-N 2 0 406.983 3.603 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060650 1004162391 /nfs/dbraw/zinc/16/23/91/1004162391.db2.gz BPZQAZDKOPNZMC-INIZCTEOSA-N 2 0 416.953 3.919 20 0 HHADRP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512265206 1004166262 /nfs/dbraw/zinc/16/62/62/1004166262.db2.gz OWTGRDQCEYKYFQ-LJQANCHMSA-N 2 0 423.605 3.540 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000512269545 1004170356 /nfs/dbraw/zinc/17/03/56/1004170356.db2.gz KJSXSLLVOBZKMA-UHFFFAOYSA-N 2 0 415.603 3.792 20 0 HHADRP CC(C)c1ccc(OCCNC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501069302 1004171559 /nfs/dbraw/zinc/17/15/59/1004171559.db2.gz OLHGGLKKPZINMR-UHFFFAOYSA-N 2 0 424.589 3.548 20 0 HHADRP C[C@@H](CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000501069653 1004172631 /nfs/dbraw/zinc/17/26/31/1004172631.db2.gz IHBYYSFQSQJGJP-NRFANRHFSA-N 2 0 423.605 3.850 20 0 HHADRP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512280715 1004182151 /nfs/dbraw/zinc/18/21/51/1004182151.db2.gz PLWNYOJPMAQWPT-KMDXXIMOSA-N 2 0 412.599 3.622 20 0 HHADRP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512280716 1004182218 /nfs/dbraw/zinc/18/22/18/1004182218.db2.gz PLWNYOJPMAQWPT-RBZQAINGSA-N 2 0 412.599 3.622 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501082719 1004187567 /nfs/dbraw/zinc/18/75/67/1004187567.db2.gz AKZOTTLNEMPTHZ-WIYYLYMNSA-N 2 0 424.992 3.989 20 0 HHADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090535 1004196587 /nfs/dbraw/zinc/19/65/87/1004196587.db2.gz SNASVSAHGASCBH-MRXNPFEDSA-N 2 0 418.488 3.858 20 0 HHADRP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000501174888 1004255262 /nfs/dbraw/zinc/25/52/62/1004255262.db2.gz XCGMOQXOXVSLCB-HSZRJFAPSA-N 2 0 400.611 3.838 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[NH+]2CCCC2)o1 ZINC000510042503 1004284868 /nfs/dbraw/zinc/28/48/68/1004284868.db2.gz HAKLXABMLLTBAX-BGYRXZFFSA-N 2 0 414.550 3.763 20 0 HHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000501218738 1004287877 /nfs/dbraw/zinc/28/78/77/1004287877.db2.gz RKJDYSUNZQVQKF-UHFFFAOYSA-N 2 0 400.519 3.972 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000501337972 1004355797 /nfs/dbraw/zinc/35/57/97/1004355797.db2.gz ZKRJWCNMMXDGMF-FCHUYYIVSA-N 2 0 410.562 3.553 20 0 HHADRP CC[C@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501348259 1004360237 /nfs/dbraw/zinc/36/02/37/1004360237.db2.gz CWQUBXRSENCUOZ-HSZRJFAPSA-N 2 0 400.611 3.587 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501357182 1004365422 /nfs/dbraw/zinc/36/54/22/1004365422.db2.gz JNDKOVUHKMYTCQ-XZOQPEGZSA-N 2 0 412.553 3.565 20 0 HHADRP CC[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375355 1004375424 /nfs/dbraw/zinc/37/54/24/1004375424.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 2 0 400.611 3.635 20 0 HHADRP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)N(Cc2ccccc2)C1 ZINC000512626889 1004439780 /nfs/dbraw/zinc/43/97/80/1004439780.db2.gz XJBSZPFXRJJPGE-KUDLYRENSA-N 2 0 419.613 3.512 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501503362 1004471917 /nfs/dbraw/zinc/47/19/17/1004471917.db2.gz PCMKDLWAZSPFBJ-QZTJIDSGSA-N 2 0 407.002 3.724 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710943 1004509848 /nfs/dbraw/zinc/50/98/48/1004509848.db2.gz CLEZMDAWXODRKZ-IRLDBZIGSA-N 2 0 412.622 3.945 20 0 HHADRP CC[C@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510455158 1004577908 /nfs/dbraw/zinc/57/79/08/1004577908.db2.gz GPWOAFRWDKRUMM-DHIUTWEWSA-N 2 0 424.589 3.861 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)[NH+](C)C)cc1 ZINC000512820095 1004579215 /nfs/dbraw/zinc/57/92/15/1004579215.db2.gz JGQVIANVPMALKX-QFIPXVFZSA-N 2 0 404.599 3.592 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000510462743 1004583548 /nfs/dbraw/zinc/58/35/48/1004583548.db2.gz XPEKMFLIOUATAH-YADHBBJMSA-N 2 0 410.562 3.689 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)[NH+]2CCCC2)o1 ZINC000510464508 1004584863 /nfs/dbraw/zinc/58/48/63/1004584863.db2.gz KQQPVUQAZIUPAE-QHCPKHFHSA-N 2 0 424.589 3.997 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000512837347 1004596610 /nfs/dbraw/zinc/59/66/10/1004596610.db2.gz HYVWBRZDBYZBBO-LJQANCHMSA-N 2 0 424.511 3.550 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000512911767 1004681753 /nfs/dbraw/zinc/68/17/53/1004681753.db2.gz JWTWDSAGJHRKIT-JTHBVZDNSA-N 2 0 416.610 3.736 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000501763166 1004699116 /nfs/dbraw/zinc/69/91/16/1004699116.db2.gz AILONHOEXBFCLI-IBGZPJMESA-N 2 0 412.578 3.632 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000501771523 1004710668 /nfs/dbraw/zinc/71/06/68/1004710668.db2.gz GWOOKJWJQPOYMS-XMMPIXPASA-N 2 0 415.622 3.593 20 0 HHADRP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580985 1004728647 /nfs/dbraw/zinc/72/86/47/1004728647.db2.gz QSSQQJQOMVEJSF-DWQJTFDBSA-N 2 0 412.622 3.849 20 0 HHADRP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000501810957 1004751431 /nfs/dbraw/zinc/75/14/31/1004751431.db2.gz UCBVFNDYXBJEPL-YKSBVNFPSA-N 2 0 406.574 3.570 20 0 HHADRP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000501813506 1004752980 /nfs/dbraw/zinc/75/29/80/1004752980.db2.gz BVISYQLQURQMFF-NRFANRHFSA-N 2 0 421.651 3.654 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501857967 1004780520 /nfs/dbraw/zinc/78/05/20/1004780520.db2.gz MFHVPRGOCPXOIJ-POGFHVCPSA-N 2 0 424.633 3.947 20 0 HHADRP O=C1COc2ccc(C[NH2+]CCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2N1 ZINC000510692540 1004801430 /nfs/dbraw/zinc/80/14/30/1004801430.db2.gz FJWVWPOZYWEMIC-UHFFFAOYSA-N 2 0 407.558 3.842 20 0 HHADRP Clc1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc2c1OCCO2 ZINC000513110479 1004812463 /nfs/dbraw/zinc/81/24/63/1004812463.db2.gz PETRLVIFVLFANA-UHFFFAOYSA-N 2 0 415.965 3.803 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccsc1 ZINC000510883091 1004909442 /nfs/dbraw/zinc/90/94/42/1004909442.db2.gz OCXBGQIGLKIIIZ-LEWJYISDSA-N 2 0 414.619 3.951 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510937657 1004943965 /nfs/dbraw/zinc/94/39/65/1004943965.db2.gz PFBBKXYFSGJOKD-XLIONFOSSA-N 2 0 422.976 3.742 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950807 1004950377 /nfs/dbraw/zinc/95/03/77/1004950377.db2.gz NCUVUSMVGJWQSM-TZIWHRDSSA-N 2 0 401.348 3.793 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2)CC1 ZINC000513485242 1004986029 /nfs/dbraw/zinc/98/60/29/1004986029.db2.gz OWXSDCBDNLIHJW-HSZRJFAPSA-N 2 0 419.573 3.653 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511080247 1005009724 /nfs/dbraw/zinc/00/97/24/1005009724.db2.gz ICHFYRPECULOSG-GOSISDBHSA-N 2 0 411.512 3.874 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511228749 1005082742 /nfs/dbraw/zinc/08/27/42/1005082742.db2.gz OLJISTIEKXNDNB-UGKGYDQZSA-N 2 0 400.611 3.933 20 0 HHADRP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)C1=CC[NH+](C)CC1 ZINC000511245355 1005088651 /nfs/dbraw/zinc/08/86/51/1005088651.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 2 0 410.606 3.867 20 0 HHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H]2CCC[C@H]21 ZINC000513713599 1005092683 /nfs/dbraw/zinc/09/26/83/1005092683.db2.gz QJOIUCOMACWWSG-FDFHNCONSA-N 2 0 417.550 3.589 20 0 HHADRP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+](C)Cc1ccccc1 ZINC000511254133 1005093804 /nfs/dbraw/zinc/09/38/04/1005093804.db2.gz YHFHAUGTJIFTQE-RZUBCFFCSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264638 1005097186 /nfs/dbraw/zinc/09/71/86/1005097186.db2.gz GNAPRKGDUHLXKV-RBBKRZOGSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268878 1005100000 /nfs/dbraw/zinc/10/00/00/1005100000.db2.gz NCULMYUMXLEBPA-ICSRJNTNSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511292748 1005111401 /nfs/dbraw/zinc/11/14/01/1005111401.db2.gz KBAPVHAQTGJLFJ-ACIOBRDBSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680493 1005177430 /nfs/dbraw/zinc/17/74/30/1005177430.db2.gz AOAGUDFHIRGHSG-GHTZIAJQSA-N 2 0 409.578 3.546 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)CC1 ZINC000502795109 1005220701 /nfs/dbraw/zinc/22/07/01/1005220701.db2.gz WOAZHQCIHWVICX-XVAXZDLZSA-N 2 0 402.583 3.759 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511562456 1005225910 /nfs/dbraw/zinc/22/59/10/1005225910.db2.gz VATYEDFZSXVSGE-LZBANZJXSA-N 2 0 400.611 3.707 20 0 HHADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)CC2)CC1 ZINC000502829688 1005236016 /nfs/dbraw/zinc/23/60/16/1005236016.db2.gz NKOBCKYZLJMVJD-XPPIMPSXSA-N 2 0 400.611 3.502 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000502831025 1005236480 /nfs/dbraw/zinc/23/64/80/1005236480.db2.gz PRFVACMHTGNCPJ-HSZRJFAPSA-N 2 0 416.610 3.643 20 0 HHADRP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086548 1005259609 /nfs/dbraw/zinc/25/96/09/1005259609.db2.gz BEYQFDZQSZNIMS-DPDIENECSA-N 2 0 409.977 3.703 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000502892161 1005261814 /nfs/dbraw/zinc/26/18/14/1005261814.db2.gz BKAQLEVEVCPWDM-NRFANRHFSA-N 2 0 400.611 3.984 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000514094344 1005262520 /nfs/dbraw/zinc/26/25/20/1005262520.db2.gz KNKGOWXYXKPOGN-JTHBVZDNSA-N 2 0 415.626 3.590 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000514101945 1005266180 /nfs/dbraw/zinc/26/61/80/1005266180.db2.gz IUGWQMIMXRBSTL-HSZRJFAPSA-N 2 0 414.638 3.991 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514108113 1005269232 /nfs/dbraw/zinc/26/92/32/1005269232.db2.gz VJQOGGHXZVOELL-FYYLOGMGSA-N 2 0 415.626 3.732 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000514171703 1005297989 /nfs/dbraw/zinc/29/79/89/1005297989.db2.gz FYVCQJZRULZFGT-VWLOTQADSA-N 2 0 422.617 3.509 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514190443 1005305139 /nfs/dbraw/zinc/30/51/39/1005305139.db2.gz PEPNINVLUAMRSB-DHIUTWEWSA-N 2 0 412.553 3.873 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)[NH+]1CCCC1 ZINC000514196858 1005307701 /nfs/dbraw/zinc/30/77/01/1005307701.db2.gz DQEJZCIVGNFHTL-PKTZIBPZSA-N 2 0 424.589 3.743 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000514235045 1005325670 /nfs/dbraw/zinc/32/56/70/1005325670.db2.gz WIIXHQGNFDWZLI-HSZRJFAPSA-N 2 0 423.582 3.887 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238512 1005327022 /nfs/dbraw/zinc/32/70/22/1005327022.db2.gz FDOZKLJRXDIEMV-PLRSXRBSSA-N 2 0 405.586 3.895 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000503209936 1005369179 /nfs/dbraw/zinc/36/91/79/1005369179.db2.gz WELUKKJXBLCMBM-PKTZIBPZSA-N 2 0 424.589 3.589 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccco1 ZINC000503337287 1005393145 /nfs/dbraw/zinc/39/31/45/1005393145.db2.gz CYJMYJCXJCEDNJ-LEWJYISDSA-N 2 0 404.599 3.960 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[NH+](C)C)cc1 ZINC000503339510 1005393511 /nfs/dbraw/zinc/39/35/11/1005393511.db2.gz FZYRYYPIZFNEMY-JTHBVZDNSA-N 2 0 400.611 3.751 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)CC1 ZINC000503386845 1005404920 /nfs/dbraw/zinc/40/49/20/1005404920.db2.gz FIXGWJOGDXQWKX-UPVQGACJSA-N 2 0 412.622 3.977 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)C2)CC1 ZINC000503391281 1005406191 /nfs/dbraw/zinc/40/61/91/1005406191.db2.gz OIIHNGLJODSKMM-NRFANRHFSA-N 2 0 422.683 3.502 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000503443200 1005421901 /nfs/dbraw/zinc/42/19/01/1005421901.db2.gz OKXNCLUEGYBGLB-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503504853 1005439340 /nfs/dbraw/zinc/43/93/40/1005439340.db2.gz RXSZDTPGWWGBER-PKTZIBPZSA-N 2 0 424.589 3.670 20 0 HHADRP c1cc(Oc2ccccc2)oc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000503557677 1005452066 /nfs/dbraw/zinc/45/20/66/1005452066.db2.gz LIKWQMWVFDWSSJ-UHFFFAOYSA-N 2 0 407.518 3.554 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000503957595 1005518914 /nfs/dbraw/zinc/51/89/14/1005518914.db2.gz JOBULQHCOCDTJX-UHFFFAOYSA-N 2 0 414.981 3.865 20 0 HHADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000504087686 1005550040 /nfs/dbraw/zinc/55/00/40/1005550040.db2.gz OQQNNFSSQPGXMJ-UHFFFAOYSA-N 2 0 403.574 3.683 20 0 HHADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504277213 1005587995 /nfs/dbraw/zinc/58/79/95/1005587995.db2.gz PQPUFQOJMAWTKL-UHFFFAOYSA-N 2 0 423.605 3.731 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000504402474 1005619406 /nfs/dbraw/zinc/61/94/06/1005619406.db2.gz AMVPZFBKUKPJFP-GOTSBHOMSA-N 2 0 416.610 3.733 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)c2ccccc2)CC1 ZINC000504414412 1005622507 /nfs/dbraw/zinc/62/25/07/1005622507.db2.gz QUBZXTUTABATDE-XMMPIXPASA-N 2 0 423.605 3.628 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000514564311 1006037120 /nfs/dbraw/zinc/03/71/20/1006037120.db2.gz DTIJJVAMKZKFOH-QHCPKHFHSA-N 2 0 412.553 3.914 20 0 HHADRP Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000514635767 1006063993 /nfs/dbraw/zinc/06/39/93/1006063993.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 2 0 416.569 3.532 20 0 HHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000514758007 1006109617 /nfs/dbraw/zinc/10/96/17/1006109617.db2.gz HTCWIOOQRJWQAT-UHFFFAOYSA-N 2 0 401.982 3.988 20 0 HHADRP Cc1cccc2ncc(C[NH2+]Cc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)n21 ZINC000531380732 1006163421 /nfs/dbraw/zinc/16/34/21/1006163421.db2.gz XEAAULBKDCFMDD-UHFFFAOYSA-N 2 0 417.479 3.703 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226362 1006223499 /nfs/dbraw/zinc/22/34/99/1006223499.db2.gz KHINQDTWCTXGFX-LZJOCLMNSA-N 2 0 422.976 3.788 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534236109 1006240385 /nfs/dbraw/zinc/24/03/85/1006240385.db2.gz UDKDAFRGHONMCL-UHFFFAOYSA-N 2 0 400.542 3.729 20 0 HHADRP C[C@@H](CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000534258374 1006267294 /nfs/dbraw/zinc/26/72/94/1006267294.db2.gz XRNDEVBZMNEPLU-SFHVURJKSA-N 2 0 400.542 3.597 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000534259568 1006269190 /nfs/dbraw/zinc/26/91/90/1006269190.db2.gz CIIKPFOAIAPFCN-HXUWFJFHSA-N 2 0 404.574 3.685 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(-c4ccccc4)nc3C(C)(C)C)ccn2)CC1 ZINC000531566988 1006276494 /nfs/dbraw/zinc/27/64/94/1006276494.db2.gz SRGYCJCMFNGUBQ-UHFFFAOYSA-N 2 0 418.589 3.606 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000531704350 1006367173 /nfs/dbraw/zinc/36/71/73/1006367173.db2.gz DRGDOSWUTNWWJM-VQTJNVASSA-N 2 0 418.601 3.799 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(OC)c1 ZINC000531711945 1006371941 /nfs/dbraw/zinc/37/19/41/1006371941.db2.gz UJIWQMATZAOTAA-AZUAARDMSA-N 2 0 411.546 3.675 20 0 HHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000531715213 1006373823 /nfs/dbraw/zinc/37/38/23/1006373823.db2.gz ABCQMOUJVSHVRF-RVKKMQEKSA-N 2 0 401.414 3.879 20 0 HHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000531735353 1006388012 /nfs/dbraw/zinc/38/80/12/1006388012.db2.gz FOSGAXYUYUSJON-QRVBRYPASA-N 2 0 400.588 3.897 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000531785492 1006425797 /nfs/dbraw/zinc/42/57/97/1006425797.db2.gz HSBCBOMZZUGVCY-UHFFFAOYSA-N 2 0 409.553 3.577 20 0 HHADRP COc1cc2c(cc1C[NH2+]CCCC[NH+]1CCN(c3ccccc3)CC1)O[C@H](C)C2 ZINC000515479178 1006492210 /nfs/dbraw/zinc/49/22/10/1006492210.db2.gz XHRLPNSLNQOMIM-HXUWFJFHSA-N 2 0 409.574 3.711 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000515518743 1006511433 /nfs/dbraw/zinc/51/14/33/1006511433.db2.gz MXIYZWXNLBCKLA-WOJBJXKFSA-N 2 0 409.574 3.722 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000531940281 1006533350 /nfs/dbraw/zinc/53/33/50/1006533350.db2.gz GSZVTUZKJUTWBX-NRFANRHFSA-N 2 0 421.589 3.592 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531939636 1006533601 /nfs/dbraw/zinc/53/36/01/1006533601.db2.gz FOIXPWXYEKTAGW-DVECYGJZSA-N 2 0 406.574 3.601 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000532015463 1006577259 /nfs/dbraw/zinc/57/72/59/1006577259.db2.gz MQYVEEQCXOEZBM-GOTSBHOMSA-N 2 0 420.557 3.908 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000538349761 1006616715 /nfs/dbraw/zinc/61/67/15/1006616715.db2.gz LDPKNMOCDGWXCT-UHFFFAOYSA-N 2 0 410.986 3.867 20 0 HHADRP CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000532107448 1006641883 /nfs/dbraw/zinc/64/18/83/1006641883.db2.gz JUUSAANXXNMROG-UHFFFAOYSA-N 2 0 408.590 3.647 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1F ZINC000538388932 1006658296 /nfs/dbraw/zinc/65/82/96/1006658296.db2.gz KSMQVKADSVYCPT-IBGZPJMESA-N 2 0 413.537 3.528 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000515790669 1006673729 /nfs/dbraw/zinc/67/37/29/1006673729.db2.gz QJFFRJVYOOVMRO-HSZRJFAPSA-N 2 0 412.553 3.914 20 0 HHADRP CC1(C)CN([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000532215916 1006727435 /nfs/dbraw/zinc/72/74/35/1006727435.db2.gz BFPQFBHWGVWQPN-JOCHJYFZSA-N 2 0 406.014 3.956 20 0 HHADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532409904 1006855071 /nfs/dbraw/zinc/85/50/71/1006855071.db2.gz HZBCTMLOIYNULZ-QRVBRYPASA-N 2 0 422.013 3.681 20 0 HHADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000532489836 1006929832 /nfs/dbraw/zinc/92/98/32/1006929832.db2.gz BVZWGNGMCKJTOT-OAHLLOKOSA-N 2 0 401.473 3.513 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000516204421 1006942005 /nfs/dbraw/zinc/94/20/05/1006942005.db2.gz ZCQPNYXVNJPULG-RBBKRZOGSA-N 2 0 421.589 3.704 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000516215041 1006951400 /nfs/dbraw/zinc/95/14/00/1006951400.db2.gz CLZKEZYSHDESQQ-UHFFFAOYSA-N 2 0 417.642 3.528 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)cc1)C(C)C ZINC000534920706 1006956622 /nfs/dbraw/zinc/95/66/22/1006956622.db2.gz TWABXEMINPXGDU-RPBOFIJWSA-N 2 0 423.601 3.530 20 0 HHADRP FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(Cl)c1 ZINC000532543077 1006976277 /nfs/dbraw/zinc/97/62/77/1006976277.db2.gz QFIHDXXIMCTZFF-MRXNPFEDSA-N 2 0 402.892 3.797 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534941581 1006981537 /nfs/dbraw/zinc/98/15/37/1006981537.db2.gz RNIMVNXRSAWZHZ-HGHGUNKESA-N 2 0 424.992 3.749 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534958840 1007003731 /nfs/dbraw/zinc/00/37/31/1007003731.db2.gz ISTJHCKZZIMTJH-SQGPQFPESA-N 2 0 410.965 3.646 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000534959561 1007005489 /nfs/dbraw/zinc/00/54/89/1007005489.db2.gz BIKPXUWCUILYMZ-MMOPVJDHSA-N 2 0 424.992 3.892 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532579041 1007012769 /nfs/dbraw/zinc/01/27/69/1007012769.db2.gz FWTAIZFKAKRJGQ-URXFXBBRSA-N 2 0 405.586 3.720 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCc2sccc2C1 ZINC000534965379 1007016198 /nfs/dbraw/zinc/01/61/98/1007016198.db2.gz SVIDUCDINFTYIM-UHFFFAOYSA-N 2 0 409.599 3.621 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581646 1007167181 /nfs/dbraw/zinc/16/71/81/1007167181.db2.gz HNHRFVTWCULQJE-UGKGYDQZSA-N 2 0 412.553 3.734 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000516601867 1007184207 /nfs/dbraw/zinc/18/42/07/1007184207.db2.gz UDFRJPZPQYLZST-HXUWFJFHSA-N 2 0 400.611 3.982 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1)CC1CC1 ZINC000538915922 1007200711 /nfs/dbraw/zinc/20/07/11/1007200711.db2.gz BBFPMJOSZGWDCR-HSZRJFAPSA-N 2 0 400.611 3.833 20 0 HHADRP CC[NH+]1CCC(Nc2cc(NC3CC[NH+](CC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000516672032 1007219920 /nfs/dbraw/zinc/21/99/20/1007219920.db2.gz ZUZSSJITWKOAFE-UHFFFAOYSA-N 2 0 408.594 3.936 20 0 HHADRP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944951 1007229259 /nfs/dbraw/zinc/22/92/59/1007229259.db2.gz CJDFPJDXDGYVJF-FQEVSTJZSA-N 2 0 406.574 3.988 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945855 1007230375 /nfs/dbraw/zinc/23/03/75/1007230375.db2.gz SOBMSVJMWPDGDE-INIZCTEOSA-N 2 0 402.489 3.925 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)c2)C1 ZINC000535201094 1007249117 /nfs/dbraw/zinc/24/91/17/1007249117.db2.gz OZASFNRVEOLCKR-SFHVURJKSA-N 2 0 423.454 3.832 20 0 HHADRP Cc1cc2ncc([C@H](C)[NH2+]CCCC[NH+]3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986227 1007281003 /nfs/dbraw/zinc/28/10/03/1007281003.db2.gz PKXNOMOPJHZKBY-NRFANRHFSA-N 2 0 420.605 3.595 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532968108 1007335668 /nfs/dbraw/zinc/33/56/68/1007335668.db2.gz SUPFUMAESLLXSI-OAQYLSRUSA-N 2 0 409.578 3.768 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000539042715 1007339723 /nfs/dbraw/zinc/33/97/23/1007339723.db2.gz GYMXPAPWRQSUPM-IRFCIJBXSA-N 2 0 415.603 3.546 20 0 HHADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000539042751 1007340008 /nfs/dbraw/zinc/34/00/08/1007340008.db2.gz JLOZDTDXJCONSF-ZIFCJYIRSA-N 2 0 405.384 3.924 20 0 HHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000539063776 1007357000 /nfs/dbraw/zinc/35/70/00/1007357000.db2.gz VDGFOCYQJKBFTG-KYNGSXCRSA-N 2 0 411.384 3.876 20 0 HHADRP C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539065160 1007358410 /nfs/dbraw/zinc/35/84/10/1007358410.db2.gz LCNHHTUFKNIMSE-YWZLYKJASA-N 2 0 407.352 3.774 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000539075614 1007367113 /nfs/dbraw/zinc/36/71/13/1007367113.db2.gz JWQZILSUTYWUGK-BZUAXINKSA-N 2 0 401.364 3.998 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)[C@@H](C)C1 ZINC000539083134 1007372804 /nfs/dbraw/zinc/37/28/04/1007372804.db2.gz WPRMWCZDIBOHQY-FDDCHVKYSA-N 2 0 411.546 3.646 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000539091498 1007381108 /nfs/dbraw/zinc/38/11/08/1007381108.db2.gz WTMVAMCIAJVZPU-HXUWFJFHSA-N 2 0 424.589 3.907 20 0 HHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000539091496 1007381120 /nfs/dbraw/zinc/38/11/20/1007381120.db2.gz WTMVAMCIAJVZPU-FQEVSTJZSA-N 2 0 424.589 3.907 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc(-c4ccccc4)nc3)CC2)CC1 ZINC000533025560 1007386651 /nfs/dbraw/zinc/38/66/51/1007386651.db2.gz USCNQMTVSHSSDB-UHFFFAOYSA-N 2 0 407.606 3.772 20 0 HHADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000539104206 1007391356 /nfs/dbraw/zinc/39/13/56/1007391356.db2.gz BKKVMHULDYSQDY-INIZCTEOSA-N 2 0 405.384 3.844 20 0 HHADRP CCC1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153200 1007491946 /nfs/dbraw/zinc/49/19/46/1007491946.db2.gz RQLJUPKFEBJZQC-UHFFFAOYSA-N 2 0 400.611 3.851 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226230 1007511879 /nfs/dbraw/zinc/51/18/79/1007511879.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 2 0 406.618 3.790 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000533226741 1007549016 /nfs/dbraw/zinc/54/90/16/1007549016.db2.gz VXDNKUKVIBILJJ-NRFANRHFSA-N 2 0 403.636 3.753 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000539311320 1007610107 /nfs/dbraw/zinc/61/01/07/1007610107.db2.gz JJSBIJVEHKJJQN-LJQANCHMSA-N 2 0 412.553 3.874 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000539311319 1007610302 /nfs/dbraw/zinc/61/03/02/1007610302.db2.gz JJSBIJVEHKJJQN-IBGZPJMESA-N 2 0 412.553 3.874 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2nc3ccccc3n2C)CC1 ZINC000539313065 1007612075 /nfs/dbraw/zinc/61/20/75/1007612075.db2.gz OFNKEIKMYOGYLQ-GOSISDBHSA-N 2 0 409.553 3.748 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000535686065 1007717819 /nfs/dbraw/zinc/71/78/19/1007717819.db2.gz NNYRDSZWUJTMHC-UHFFFAOYSA-N 2 0 412.553 3.873 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000517497508 1007720400 /nfs/dbraw/zinc/72/04/00/1007720400.db2.gz BHJDFPWOBZQSKR-JWQCQUIFSA-N 2 0 414.553 3.667 20 0 HHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000533439507 1007755454 /nfs/dbraw/zinc/75/54/54/1007755454.db2.gz OBKNMUDKIBCGIG-FCHUYYIVSA-N 2 0 405.627 3.569 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC[NH+](C)CC1 ZINC000539448581 1007759518 /nfs/dbraw/zinc/75/95/18/1007759518.db2.gz XHZZYVYBWAMMOU-UHFFFAOYSA-N 2 0 420.601 3.629 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000539514797 1007825135 /nfs/dbraw/zinc/82/51/35/1007825135.db2.gz DTOSAHRLLQYVMP-UHFFFAOYSA-N 2 0 415.965 3.917 20 0 HHADRP Cc1cc(C)n2c(C[NH2+]CCc3ccc(OCC[NH+]4C[C@@H](C)[C@H](C)C4)cc3)cnc2n1 ZINC000539553976 1007866621 /nfs/dbraw/zinc/86/66/21/1007866621.db2.gz MPBNQXJPTJTJAE-RTBURBONSA-N 2 0 421.589 3.645 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533593039 1007891121 /nfs/dbraw/zinc/89/11/21/1007891121.db2.gz RRLFXDMSBFLVMJ-PKTZIBPZSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000535937354 1007966380 /nfs/dbraw/zinc/96/63/80/1007966380.db2.gz NHTXERMVWYFAIG-JCTONOIOSA-N 2 0 412.622 3.660 20 0 HHADRP Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533737374 1008063083 /nfs/dbraw/zinc/06/30/83/1008063083.db2.gz SLFATDBKJQLLLE-QGZVFWFLSA-N 2 0 421.655 3.836 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccnc3ccccc23)CC1)Cc1ccccc1 ZINC000539836091 1008128376 /nfs/dbraw/zinc/12/83/76/1008128376.db2.gz REIVPOVXHMGVFU-UHFFFAOYSA-N 2 0 416.569 3.695 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000518051739 1008129762 /nfs/dbraw/zinc/12/97/62/1008129762.db2.gz RCYBNQLIPGTTFP-HXUWFJFHSA-N 2 0 409.574 3.789 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000533813594 1008130044 /nfs/dbraw/zinc/13/00/44/1008130044.db2.gz RRZGHWTZPGMYSV-YKSBVNFPSA-N 2 0 408.590 3.684 20 0 HHADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539951948 1008202708 /nfs/dbraw/zinc/20/27/08/1008202708.db2.gz YUVVYYJQLMIBMF-BGYRXZFFSA-N 2 0 401.599 3.592 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000539979840 1008218503 /nfs/dbraw/zinc/21/85/03/1008218503.db2.gz QFOOBMSLNQJERM-KRWDZBQOSA-N 2 0 410.027 3.626 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Br)s2)[C@@H](c2ccccc2)C1 ZINC000518268173 1008234249 /nfs/dbraw/zinc/23/42/49/1008234249.db2.gz GMGYDIVMZDZBPD-GOSISDBHSA-N 2 0 408.409 3.979 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000540044212 1008253238 /nfs/dbraw/zinc/25/32/38/1008253238.db2.gz PNALAESMDXUBKR-NRFANRHFSA-N 2 0 414.500 3.704 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044087 1008253661 /nfs/dbraw/zinc/25/36/61/1008253661.db2.gz PXOBLBURDWLRLL-GOSISDBHSA-N 2 0 414.981 3.978 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCc1ccc(Cl)cc1 ZINC000540046158 1008255929 /nfs/dbraw/zinc/25/59/29/1008255929.db2.gz WHSSRHPJIXSGHA-UHFFFAOYSA-N 2 0 414.981 3.632 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3ccc(Br)cc32)ccn1 ZINC000540143218 1008309781 /nfs/dbraw/zinc/30/97/81/1008309781.db2.gz NPGFAHZCSFEVPE-IBGZPJMESA-N 2 0 404.352 3.952 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000518459896 1008316950 /nfs/dbraw/zinc/31/69/50/1008316950.db2.gz JRHLZDNAEMGEPQ-SIKLNZKXSA-N 2 0 416.610 3.642 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540161525 1008317403 /nfs/dbraw/zinc/31/74/03/1008317403.db2.gz QURJZGSNTDDBQG-HSQYWUDLSA-N 2 0 402.583 3.589 20 0 HHADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518471710 1008320214 /nfs/dbraw/zinc/32/02/14/1008320214.db2.gz QCWYSNZQLJZZHE-DEOSSOPVSA-N 2 0 420.601 3.515 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000518471711 1008320346 /nfs/dbraw/zinc/32/03/46/1008320346.db2.gz QCWYSNZQLJZZHE-XMMPIXPASA-N 2 0 420.601 3.515 20 0 HHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1(N3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000518475227 1008320981 /nfs/dbraw/zinc/32/09/81/1008320981.db2.gz QELWARZFUBIVNZ-IBGZPJMESA-N 2 0 417.594 3.682 20 0 HHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000540172398 1008321533 /nfs/dbraw/zinc/32/15/33/1008321533.db2.gz CFLGLKITISUUDM-HSZRJFAPSA-N 2 0 407.558 3.824 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000540172736 1008322036 /nfs/dbraw/zinc/32/20/36/1008322036.db2.gz UXTKMEHOKLKASN-DHLKQENFSA-N 2 0 421.585 3.770 20 0 HHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518573420 1008351464 /nfs/dbraw/zinc/35/14/64/1008351464.db2.gz POLVOUQPXFGGGG-GGAORHGYSA-N 2 0 421.585 3.922 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(Br)cc3)C3CC3)cn2)CC1 ZINC000540262679 1008359780 /nfs/dbraw/zinc/35/97/80/1008359780.db2.gz FCVAAOLGTYFWCH-OAQYLSRUSA-N 2 0 415.379 3.837 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000540407016 1008419857 /nfs/dbraw/zinc/41/98/57/1008419857.db2.gz DVTLSNQLOTVSBZ-OALUTQOASA-N 2 0 406.590 3.652 20 0 HHADRP CC(C)COc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000540465154 1008441931 /nfs/dbraw/zinc/44/19/31/1008441931.db2.gz HXWPOXXWZSSIMS-UHFFFAOYSA-N 2 0 403.611 3.637 20 0 HHADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000548950904 1008536228 /nfs/dbraw/zinc/53/62/28/1008536228.db2.gz ZHFDGAMRJFTOOG-UMEGOILYSA-N 2 0 424.585 3.897 20 0 HHADRP CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476167 1008582584 /nfs/dbraw/zinc/58/25/84/1008582584.db2.gz MFRGMLAMJFLVLD-XMMPIXPASA-N 2 0 423.626 3.972 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549034440 1008601932 /nfs/dbraw/zinc/60/19/32/1008601932.db2.gz QXMGGSVPWQQUHH-XMMPIXPASA-N 2 0 406.574 3.804 20 0 HHADRP C[C@H](CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC1 ZINC000519205180 1008610374 /nfs/dbraw/zinc/61/03/74/1008610374.db2.gz SLVCLFGJRUYXBZ-OAHLLOKOSA-N 2 0 415.409 3.939 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000543074774 1008652503 /nfs/dbraw/zinc/65/25/03/1008652503.db2.gz XLWGUOLFZJBQFE-PBHICJAKSA-N 2 0 409.596 3.580 20 0 HHADRP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545562087 1008658221 /nfs/dbraw/zinc/65/82/21/1008658221.db2.gz TUIXMPWDEPZKIM-VWLOTQADSA-N 2 0 420.601 3.565 20 0 HHADRP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762437 /nfs/dbraw/zinc/76/24/37/1008762437.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 2 0 409.549 3.819 20 0 HHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204623 1008776596 /nfs/dbraw/zinc/77/65/96/1008776596.db2.gz KWNFZMZQUVNVFM-GOTSBHOMSA-N 2 0 412.622 3.660 20 0 HHADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519413605 1008794926 /nfs/dbraw/zinc/79/49/26/1008794926.db2.gz PACSTXYNQIKODP-OAQYLSRUSA-N 2 0 415.528 3.767 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000519669035 1008953526 /nfs/dbraw/zinc/95/35/26/1008953526.db2.gz CFXCMVCLDSJFDK-ZDUSSCGKSA-N 2 0 408.306 3.584 20 0 HHADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000545952768 1009015505 /nfs/dbraw/zinc/01/55/05/1009015505.db2.gz BSOCVFSKBYADEH-FNEOHHHZSA-N 2 0 408.590 3.899 20 0 HHADRP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545981182 1009032245 /nfs/dbraw/zinc/03/22/45/1009032245.db2.gz SDMSBRNPZZMMMY-OSFYOIPJSA-N 2 0 415.603 3.513 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458602 1009042102 /nfs/dbraw/zinc/04/21/02/1009042102.db2.gz GYADJAKHYMLBEG-BQFCYCMXSA-N 2 0 400.485 3.688 20 0 HHADRP C[N@H+](CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000546016399 1009049574 /nfs/dbraw/zinc/04/95/74/1009049574.db2.gz HCOHFBLKTZFGAS-UHFFFAOYSA-N 2 0 422.013 3.954 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923864 1009079795 /nfs/dbraw/zinc/07/97/95/1009079795.db2.gz SNTKLKFZIQBPMN-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000549490474 1009092254 /nfs/dbraw/zinc/09/22/54/1009092254.db2.gz QIENRBYBCFACMM-OAQYLSRUSA-N 2 0 415.969 3.554 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)[C@H](c2ccccc2)C1 ZINC000543603665 1009208526 /nfs/dbraw/zinc/20/85/26/1009208526.db2.gz JVICSMQGMSJGPA-DQEYMECFSA-N 2 0 401.558 3.534 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000520067935 1009230326 /nfs/dbraw/zinc/23/03/26/1009230326.db2.gz OLBJJKHDJKCWGU-JOCHJYFZSA-N 2 0 400.542 3.510 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775957 1009344664 /nfs/dbraw/zinc/34/46/64/1009344664.db2.gz SJMTUURQWDAFJF-UWJYYQICSA-N 2 0 414.546 3.520 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]CCS(=O)(=O)c3ccccc3)cc2)C1 ZINC000549806590 1009414469 /nfs/dbraw/zinc/41/44/69/1009414469.db2.gz ZHUJVRBJZSCMLI-PMACEKPBSA-N 2 0 400.588 3.728 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000543871838 1009441170 /nfs/dbraw/zinc/44/11/70/1009441170.db2.gz BHFVJHOALCDPQJ-UGKGYDQZSA-N 2 0 401.595 3.849 20 0 HHADRP CC(C)Cn1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000543873419 1009444093 /nfs/dbraw/zinc/44/40/93/1009444093.db2.gz QKVNCGBGLKAPAR-UHFFFAOYSA-N 2 0 409.500 3.600 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000543998238 1009598891 /nfs/dbraw/zinc/59/88/91/1009598891.db2.gz PDUWOMXHFMVCAC-ZWKOTPCHSA-N 2 0 400.567 3.606 20 0 HHADRP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000544039221 1009641908 /nfs/dbraw/zinc/64/19/08/1009641908.db2.gz CJEGRRDUWQLFPU-CQSZACIVSA-N 2 0 409.596 3.580 20 0 HHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000550123204 1009714642 /nfs/dbraw/zinc/71/46/42/1009714642.db2.gz SIVKSIHAFCRTGW-UHFFFAOYSA-N 2 0 417.981 3.797 20 0 HHADRP C[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+]1CCCC1 ZINC000520710330 1009777309 /nfs/dbraw/zinc/77/73/09/1009777309.db2.gz NIAAMYZQHDIQHS-GOSISDBHSA-N 2 0 407.002 3.583 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000544332650 1009956668 /nfs/dbraw/zinc/95/66/68/1009956668.db2.gz UUWNGOANWNGUPG-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP O=C1CC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360548 1009987613 /nfs/dbraw/zinc/98/76/13/1009987613.db2.gz LNFQCAUESYUXEY-HSZRJFAPSA-N 2 0 406.574 3.648 20 0 HHADRP CC1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000544374360 1010001525 /nfs/dbraw/zinc/00/15/25/1010001525.db2.gz KCEUTPICDUGRAA-UHFFFAOYSA-N 2 0 405.586 3.853 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000521062635 1010082126 /nfs/dbraw/zinc/08/21/26/1010082126.db2.gz PZUKORFUXJPUBC-HXUWFJFHSA-N 2 0 418.969 3.843 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000521068880 1010086521 /nfs/dbraw/zinc/08/65/21/1010086521.db2.gz PDVACXGBHSOTBI-LJQANCHMSA-N 2 0 408.999 3.778 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000544686031 1010299131 /nfs/dbraw/zinc/29/91/31/1010299131.db2.gz PPGOVXNVGKJPME-UHFFFAOYSA-N 2 0 413.591 3.637 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547508238 1010333348 /nfs/dbraw/zinc/33/33/48/1010333348.db2.gz DOGLONPTPQVJMI-AVCGJXAMSA-N 2 0 419.548 3.899 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511430 1010334227 /nfs/dbraw/zinc/33/42/27/1010334227.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 2 0 412.647 3.537 20 0 HHADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000521524698 1010437653 /nfs/dbraw/zinc/43/76/53/1010437653.db2.gz XBFRXLSATBBTAJ-JOCHJYFZSA-N 2 0 416.610 3.567 20 0 HHADRP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827431 1010441634 /nfs/dbraw/zinc/44/16/34/1010441634.db2.gz PNYDWLULYYUMEQ-XXDDBKGRSA-N 2 0 415.647 3.621 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000551267113 1010483799 /nfs/dbraw/zinc/48/37/99/1010483799.db2.gz LFHONFHOWSXCCL-OSFYOIPJSA-N 2 0 415.603 3.689 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155803 1010547751 /nfs/dbraw/zinc/54/77/51/1010547751.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 2 0 407.602 3.908 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000521697082 1010558380 /nfs/dbraw/zinc/55/83/80/1010558380.db2.gz NLRQQDNAICYGEX-QFIPXVFZSA-N 2 0 413.610 3.619 20 0 HHADRP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483056 1010641732 /nfs/dbraw/zinc/64/17/32/1010641732.db2.gz QWSHSUZUJOENSG-UNMCSNQZSA-N 2 0 407.606 3.935 20 0 HHADRP Cc1ccc(SCC(F)(F)F)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000548521072 1010655981 /nfs/dbraw/zinc/65/59/81/1010655981.db2.gz CCJTVECRWUQUFL-UHFFFAOYSA-N 2 0 406.518 3.607 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC3 ZINC000545192018 1010679052 /nfs/dbraw/zinc/67/90/52/1010679052.db2.gz VAXFUJWEOSISOW-LEWJYISDSA-N 2 0 419.569 3.780 20 0 HHADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545302519 1010722145 /nfs/dbraw/zinc/72/21/45/1010722145.db2.gz AVRZOAISEORVBO-SBHAEUEKSA-N 2 0 405.542 3.561 20 0 HHADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545302520 1010722440 /nfs/dbraw/zinc/72/24/40/1010722440.db2.gz AVRZOAISEORVBO-SFHLNBCPSA-N 2 0 405.542 3.561 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1F ZINC000521938530 1010726023 /nfs/dbraw/zinc/72/60/23/1010726023.db2.gz HZIORTVLRZMQIX-FPOVZHCZSA-N 2 0 401.526 3.986 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000522277650 1010900520 /nfs/dbraw/zinc/90/05/20/1010900520.db2.gz SHUHSXYKKXLZPX-VXKWHMMOSA-N 2 0 410.562 3.689 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000522406693 1010987387 /nfs/dbraw/zinc/98/73/87/1010987387.db2.gz SJDGXIBJOWMADV-BJKOFHAPSA-N 2 0 421.589 3.619 20 0 HHADRP CCCN(C(=O)NC[C@@H]1CC[NH+](CCC)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522433683 1011009491 /nfs/dbraw/zinc/00/94/91/1011009491.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 2 0 400.611 3.805 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000522596925 1011100529 /nfs/dbraw/zinc/10/05/29/1011100529.db2.gz OCCLRVSWOMYAHR-JSXRDJHFSA-N 2 0 400.611 3.878 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000522631457 1011124582 /nfs/dbraw/zinc/12/45/82/1011124582.db2.gz PKUWFMZZPUOSET-AQNXPRMDSA-N 2 0 406.640 3.627 20 0 HHADRP CC1(C)CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000522742549 1011189239 /nfs/dbraw/zinc/18/92/39/1011189239.db2.gz QEUUPFURXKHIFK-HSZRJFAPSA-N 2 0 421.589 3.706 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000522836685 1011274409 /nfs/dbraw/zinc/27/44/09/1011274409.db2.gz PABSFBNXPRBGNP-FQEVSTJZSA-N 2 0 424.589 3.976 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccccc1-c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000536162800 1011291238 /nfs/dbraw/zinc/29/12/38/1011291238.db2.gz HWEHEWYPVZDKPZ-UHFFFAOYSA-N 2 0 403.574 3.907 20 0 HHADRP COc1cccc(N2CC[C@@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000540697648 1011349743 /nfs/dbraw/zinc/34/97/43/1011349743.db2.gz HOJQMOCKLCESBA-OAQYLSRUSA-N 2 0 408.590 3.594 20 0 HHADRP COc1cccc(N2CC[C@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000540697644 1011349890 /nfs/dbraw/zinc/34/98/90/1011349890.db2.gz HOJQMOCKLCESBA-NRFANRHFSA-N 2 0 408.590 3.594 20 0 HHADRP O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523008179 1011464437 /nfs/dbraw/zinc/46/44/37/1011464437.db2.gz KDJYZCVWHNKTLS-QHCPKHFHSA-N 2 0 409.549 3.602 20 0 HHADRP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000536302011 1011490765 /nfs/dbraw/zinc/49/07/65/1011490765.db2.gz JLFJJJJIZYTIJR-JOCHJYFZSA-N 2 0 404.514 3.906 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990550 1011624116 /nfs/dbraw/zinc/62/41/16/1011624116.db2.gz NGFLEZYWMXTQIJ-APWZRJJASA-N 2 0 403.558 3.973 20 0 HHADRP CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000541025632 1011659712 /nfs/dbraw/zinc/65/97/12/1011659712.db2.gz ZPODXIMJCVYUSL-SFHVURJKSA-N 2 0 406.530 3.684 20 0 HHADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000541032910 1011667195 /nfs/dbraw/zinc/66/71/95/1011667195.db2.gz CVBGOLKZCACYAL-FYYLOGMGSA-N 2 0 416.610 3.929 20 0 HHADRP Cc1nccn1C[C@@H](C)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536482157 1011694183 /nfs/dbraw/zinc/69/41/83/1011694183.db2.gz OLDIAZOUNBSQQZ-FQEVSTJZSA-N 2 0 409.578 3.525 20 0 HHADRP O=c1[nH]c(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000536486610 1011699677 /nfs/dbraw/zinc/69/96/77/1011699677.db2.gz ULSNOXMTZCCWNF-UHFFFAOYSA-N 2 0 402.542 3.866 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000541088904 1011732190 /nfs/dbraw/zinc/73/21/90/1011732190.db2.gz FZWHFUJULCQVSZ-UHFFFAOYSA-N 2 0 403.574 3.909 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C2)CC1 ZINC000536663432 1011813213 /nfs/dbraw/zinc/81/32/13/1011813213.db2.gz KLYSGGLPSNEYPF-HSZRJFAPSA-N 2 0 409.622 3.770 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc(-c4ccccn4)s3)CC2)CC1 ZINC000536664566 1011814278 /nfs/dbraw/zinc/81/42/78/1011814278.db2.gz PWALBDLHYDQMMW-UHFFFAOYSA-N 2 0 413.635 3.833 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156113 1011817564 /nfs/dbraw/zinc/81/75/64/1011817564.db2.gz SPQVEZRXCUHUFV-HSZRJFAPSA-N 2 0 408.030 3.941 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523340567 1011819374 /nfs/dbraw/zinc/81/93/74/1011819374.db2.gz KPGCDWYDXDUBBC-NRFANRHFSA-N 2 0 414.981 3.537 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)Cc1ccccc1 ZINC000536678152 1011839439 /nfs/dbraw/zinc/83/94/39/1011839439.db2.gz DEXOYPPUYIMHQV-UHFFFAOYSA-N 2 0 405.995 3.862 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@@H](C)O1 ZINC000536709757 1011882138 /nfs/dbraw/zinc/88/21/38/1011882138.db2.gz NGHSBGSOHZQETI-QZTJIDSGSA-N 2 0 400.542 3.927 20 0 HHADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000541218988 1011891905 /nfs/dbraw/zinc/89/19/05/1011891905.db2.gz XOIVKNPYTLIMHM-MRXNPFEDSA-N 2 0 400.567 3.605 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000536747415 1011934010 /nfs/dbraw/zinc/93/40/10/1011934010.db2.gz XAKKATZSCZNQIG-OAQYLSRUSA-N 2 0 415.607 3.742 20 0 HHADRP Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(OCC[NH+](C)C)c1 ZINC000523447977 1011945670 /nfs/dbraw/zinc/94/56/70/1011945670.db2.gz DQDOUJJIZFROMO-OAQYLSRUSA-N 2 0 404.599 3.813 20 0 HHADRP CC1(C)CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000536767941 1011969039 /nfs/dbraw/zinc/96/90/39/1011969039.db2.gz MECOSVLFMJNXGI-UHFFFAOYSA-N 2 0 421.589 3.604 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)[C@H](C)C1 ZINC000536806275 1012028339 /nfs/dbraw/zinc/02/83/39/1012028339.db2.gz KYNDYVPLQXVCKL-IFMALSPDSA-N 2 0 416.606 3.996 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NCC[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000523523366 1012049699 /nfs/dbraw/zinc/04/96/99/1012049699.db2.gz JYNDRIVCKUCYGE-QHCPKHFHSA-N 2 0 424.589 3.653 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000536825150 1012053263 /nfs/dbraw/zinc/05/32/63/1012053263.db2.gz FBQKKNHNDIFFPM-CQSZACIVSA-N 2 0 408.340 3.644 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839919 1012069844 /nfs/dbraw/zinc/06/98/44/1012069844.db2.gz QUOQWBFKILQIPU-HKBOAZHASA-N 2 0 411.590 3.942 20 0 HHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536855736 1012088293 /nfs/dbraw/zinc/08/82/93/1012088293.db2.gz CBYFVRBJZJXBOH-QRVBRYPASA-N 2 0 410.002 3.556 20 0 HHADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000552090930 1012106158 /nfs/dbraw/zinc/10/61/58/1012106158.db2.gz XMFHTJDRJRDGMJ-UIBIWLFHSA-N 2 0 407.628 3.696 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876585 1012120833 /nfs/dbraw/zinc/12/08/33/1012120833.db2.gz OJVMHXZGABHPLC-OFNKIYASSA-N 2 0 401.595 3.539 20 0 HHADRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1)CC(C)C ZINC000536885478 1012134875 /nfs/dbraw/zinc/13/48/75/1012134875.db2.gz LNGQJBCBTXKTHI-UHFFFAOYSA-N 2 0 403.567 3.824 20 0 HHADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000552223260 1012236355 /nfs/dbraw/zinc/23/63/55/1012236355.db2.gz KEWYEEABOKXBDF-YLJYHZDGSA-N 2 0 401.576 3.564 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000523655951 1012249332 /nfs/dbraw/zinc/24/93/32/1012249332.db2.gz ZEXNMBYIHJKPMZ-IAGOWNOFSA-N 2 0 400.394 3.829 20 0 HHADRP COc1cccc(N2C[C@H]([NH2+]C3CCC([N@H+](C)Cc4ccccc4)CC3)CC2=O)c1 ZINC000552247319 1012258871 /nfs/dbraw/zinc/25/88/71/1012258871.db2.gz KLYBCPGYRNSYMW-ATKRNPRHSA-N 2 0 407.558 3.833 20 0 HHADRP Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(OCC[NH+]4C[C@H](C)[C@@H](C)C4)cc3)cc12 ZINC000537024017 1012330513 /nfs/dbraw/zinc/33/05/13/1012330513.db2.gz UMZSGVBGWZBCSF-OALUTQOASA-N 2 0 421.589 3.576 20 0 HHADRP C[NH+](C)Cc1cccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000537048877 1012372299 /nfs/dbraw/zinc/37/22/99/1012372299.db2.gz HTYRQKRIZFSVAK-UHFFFAOYSA-N 2 0 410.562 3.587 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccsc1 ZINC000523813191 1012489969 /nfs/dbraw/zinc/48/99/69/1012489969.db2.gz KEQPOHQZEPTRNW-JOCHJYFZSA-N 2 0 414.619 3.701 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000537146278 1012540705 /nfs/dbraw/zinc/54/07/05/1012540705.db2.gz ZNPOTFBRQQWHJX-JOCHJYFZSA-N 2 0 402.583 3.682 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)c1ccccc1O2 ZINC000537166896 1012569432 /nfs/dbraw/zinc/56/94/32/1012569432.db2.gz ICOKJPANCRDXBA-DEOSSOPVSA-N 2 0 421.585 3.597 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)c1ccccc1O2 ZINC000537197956 1012616008 /nfs/dbraw/zinc/61/60/08/1012616008.db2.gz OGJLJDVCZCGHHU-QHCPKHFHSA-N 3 0 406.574 3.876 20 0 HHADRP CCCOc1c(Cl)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000541759571 1012620803 /nfs/dbraw/zinc/62/08/03/1012620803.db2.gz NKXKBXVWYNKUJJ-UHFFFAOYSA-N 2 0 424.029 3.987 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541812108 1012697723 /nfs/dbraw/zinc/69/77/23/1012697723.db2.gz CFFWYRLTSDVQFI-FAKFISEUSA-N 2 0 400.611 3.515 20 0 HHADRP CN1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752349 /nfs/dbraw/zinc/75/23/49/1012752349.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 2 0 424.658 3.537 20 0 HHADRP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)oc21 ZINC000537305480 1012762410 /nfs/dbraw/zinc/76/24/10/1012762410.db2.gz VLUZQAFZFPUTHD-QGZVFWFLSA-N 2 0 409.530 3.974 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915048 1012773036 /nfs/dbraw/zinc/77/30/36/1012773036.db2.gz WDWZPEPKNKLPSQ-DYESRHJHSA-N 2 0 407.558 3.724 20 0 HHADRP CSC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000541916993 1012774645 /nfs/dbraw/zinc/77/46/45/1012774645.db2.gz WNVYBLFLNMGUJU-RTBURBONSA-N 2 0 403.558 3.971 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552780665 1012784889 /nfs/dbraw/zinc/78/48/89/1012784889.db2.gz KNBDVZKAHUGNEB-UHFFFAOYSA-N 2 0 421.541 3.897 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCC2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000541961708 1012823359 /nfs/dbraw/zinc/82/33/59/1012823359.db2.gz CWWBXNPUHLDLEK-QHCPKHFHSA-N 2 0 416.610 3.929 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985058 1012861128 /nfs/dbraw/zinc/86/11/28/1012861128.db2.gz VUAXFXAEEMVMCC-QHCPKHFHSA-N 2 0 419.613 3.752 20 0 HHADRP COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000537398442 1012882004 /nfs/dbraw/zinc/88/20/04/1012882004.db2.gz KNFGGDVHADMZNU-OAQYLSRUSA-N 2 0 408.590 3.594 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000524169990 1012963113 /nfs/dbraw/zinc/96/31/13/1012963113.db2.gz ONFNXRKRZGMZKZ-HSZRJFAPSA-N 2 0 424.589 3.970 20 0 HHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000524169991 1012963641 /nfs/dbraw/zinc/96/36/41/1012963641.db2.gz ONFNXRKRZGMZKZ-QHCPKHFHSA-N 2 0 424.589 3.970 20 0 HHADRP O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000615098570 1072144674 /nfs/dbraw/zinc/14/46/74/1072144674.db2.gz FCPGOCFMDCMSDQ-DEOSSOPVSA-N 2 0 409.549 3.745 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760467018 1072372598 /nfs/dbraw/zinc/37/25/98/1072372598.db2.gz MYAACUYMGJJQQF-UHFFFAOYSA-N 2 0 410.631 3.721 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2c2cccnc2)CC1 ZINC001168303723 1072468571 /nfs/dbraw/zinc/46/85/71/1072468571.db2.gz ANSLHKYSZXAWPS-WCHWRFHJSA-N 2 0 402.583 3.842 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000586855804 1072477212 /nfs/dbraw/zinc/47/72/12/1072477212.db2.gz RSVLONAAAHZNHM-FQEVSTJZSA-N 2 0 400.611 3.708 20 0 HHADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3Br)CC2)CC1 ZINC001168312446 1072493310 /nfs/dbraw/zinc/49/33/10/1072493310.db2.gz XFHCYEBFSAGRMH-HFFNAHSWSA-N 2 0 422.411 3.953 20 0 HHADRP C[NH+](C)C1CCC([NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)CC1 ZINC001168318907 1072497783 /nfs/dbraw/zinc/49/77/83/1072497783.db2.gz IEQDAKIKCWBMDT-UHFFFAOYSA-N 2 0 404.562 3.844 20 0 HHADRP CCC[N@H+]([C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168324794 1072503726 /nfs/dbraw/zinc/50/37/26/1072503726.db2.gz XHUYKJBJSBCLRD-KLAILNCOSA-N 2 0 409.596 3.755 20 0 HHADRP CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)OC2)CC1 ZINC001168351178 1072533279 /nfs/dbraw/zinc/53/32/79/1072533279.db2.gz KIVYRTRTSUHPFQ-OAQYLSRUSA-N 2 0 421.626 3.647 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000479417592 1072815298 /nfs/dbraw/zinc/81/52/98/1072815298.db2.gz JFKWUVHBYUOHAG-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554919974 1072952580 /nfs/dbraw/zinc/95/25/80/1072952580.db2.gz QWJWXAOXNKDBSR-DEOSSOPVSA-N 2 0 414.638 3.705 20 0 HHADRP Cc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(-c2cnn(C)c2)c1 ZINC000554910390 1072957383 /nfs/dbraw/zinc/95/73/83/1072957383.db2.gz IOMPFTHGGKVBOR-FQEVSTJZSA-N 2 0 404.558 3.906 20 0 HHADRP Cc1ccc2cc(Cl)cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2n1 ZINC001142613599 1072997359 /nfs/dbraw/zinc/99/73/59/1072997359.db2.gz XFMCWSCQOZQZHA-UHFFFAOYSA-N 2 0 423.948 3.534 20 0 HHADRP CC(C)[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CC[NH+](C)CC1 ZINC000554978350 1073019384 /nfs/dbraw/zinc/01/93/84/1073019384.db2.gz JAESFSPZCWRUKI-KRWDZBQOSA-N 2 0 422.333 3.830 20 0 HHADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC001649004106 1073143609 /nfs/dbraw/zinc/14/36/09/1073143609.db2.gz AXXVQSWROWJTMN-IBGZPJMESA-N 2 0 413.009 3.628 20 0 HHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709381 1073155015 /nfs/dbraw/zinc/15/50/15/1073155015.db2.gz AKMRXPOHFKZUNG-ZSYWTGECSA-N 2 0 422.013 3.727 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccco1 ZINC000572192298 1073224647 /nfs/dbraw/zinc/22/46/47/1073224647.db2.gz ACIMWIVMXOOPSR-OAGGEKHMSA-N 2 0 403.489 3.688 20 0 HHADRP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600022777 1073399314 /nfs/dbraw/zinc/39/93/14/1073399314.db2.gz QKWKDHLEHWINEQ-HXUWFJFHSA-N 2 0 409.574 3.909 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccs1 ZINC000590147296 1073589213 /nfs/dbraw/zinc/58/92/13/1073589213.db2.gz OCRYFKOSCQQHJY-VQTJNVASSA-N 2 0 400.592 3.877 20 0 HHADRP O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596838 /nfs/dbraw/zinc/59/68/38/1073596838.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 2 0 403.570 3.747 20 0 HHADRP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc(OC)c1 ZINC000555611967 1073675316 /nfs/dbraw/zinc/67/53/16/1073675316.db2.gz FVTWTBWSFYPWHK-JOCHJYFZSA-N 2 0 410.558 3.722 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H](C(F)(F)F)C1 ZINC001168366493 1074075799 /nfs/dbraw/zinc/07/57/99/1074075799.db2.gz UMEXCLSURGYCKV-IAGOWNOFSA-N 2 0 405.505 3.638 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000591092151 1074107117 /nfs/dbraw/zinc/10/71/17/1074107117.db2.gz HMXSHCSLIGSPKC-NZQKXSOJSA-N 2 0 409.574 3.973 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591100110 1074115949 /nfs/dbraw/zinc/11/59/49/1074115949.db2.gz LNTQWJJCZPMSAL-LEWJYISDSA-N 2 0 401.595 3.790 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001126962620 1074153698 /nfs/dbraw/zinc/15/36/98/1074153698.db2.gz ZNVNNVISDBZYJK-WIVXBSKCSA-N 2 0 405.586 3.781 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000591423563 1074284735 /nfs/dbraw/zinc/28/47/35/1074284735.db2.gz STWFERHIVONAJZ-GOSISDBHSA-N 2 0 401.595 3.979 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557116 1074405005 /nfs/dbraw/zinc/40/50/05/1074405005.db2.gz BHAOHBGCXHCJLH-WIYYLYMNSA-N 2 0 407.002 3.897 20 0 HHADRP C[C@@H](CC[NH+](C)C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000591579594 1074423744 /nfs/dbraw/zinc/42/37/44/1074423744.db2.gz XZQITNOPVZWKMH-HNNXBMFYSA-N 2 0 403.398 3.797 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711888 1074501506 /nfs/dbraw/zinc/50/15/06/1074501506.db2.gz BKEYFARYTQHYQL-LJQANCHMSA-N 2 0 414.619 3.857 20 0 HHADRP Cc1ccncc1CCC[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000573725710 1074638318 /nfs/dbraw/zinc/63/83/18/1074638318.db2.gz MGDMDMJXKKPDRJ-UHFFFAOYSA-N 2 0 406.496 3.883 20 0 HHADRP COc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000573962126 1074743904 /nfs/dbraw/zinc/74/39/04/1074743904.db2.gz PHRDYYKEBQPOFK-UHFFFAOYSA-N 2 0 411.590 3.732 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000592463763 1074761257 /nfs/dbraw/zinc/76/12/57/1074761257.db2.gz AYYUWAGSYDZJSF-KRWDZBQOSA-N 2 0 405.945 3.784 20 0 HHADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592475298 1074763315 /nfs/dbraw/zinc/76/33/15/1074763315.db2.gz QQWHVDCIWPSEIO-LAUBAEHRSA-N 2 0 404.986 3.793 20 0 HHADRP CC(C)[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000593499619 1075204409 /nfs/dbraw/zinc/20/44/09/1075204409.db2.gz CDUUEFBABROLQO-QFIPXVFZSA-N 2 0 404.599 3.895 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000593502047 1075205304 /nfs/dbraw/zinc/20/53/04/1075205304.db2.gz OUOJYQUQJNZDTI-NRFANRHFSA-N 2 0 414.550 3.959 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000593501732 1075205322 /nfs/dbraw/zinc/20/53/22/1075205322.db2.gz MKUCJMARGPMXMK-UHFFFAOYSA-N 2 0 420.623 3.500 20 0 HHADRP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001168405676 1075363640 /nfs/dbraw/zinc/36/36/40/1075363640.db2.gz ZKXAJHGMELEZSY-NHCUHLMSSA-N 2 0 413.606 3.567 20 0 HHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000575020535 1075444297 /nfs/dbraw/zinc/44/42/97/1075444297.db2.gz UQVDKKNXZDKDJR-OAHLLOKOSA-N 2 0 412.391 3.667 20 0 HHADRP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000595963724 1075526252 /nfs/dbraw/zinc/52/62/52/1075526252.db2.gz GLAQMRZKDNRRGA-UHFFFAOYSA-N 2 0 408.546 3.815 20 0 HHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628644 719069459 /nfs/dbraw/zinc/06/94/59/719069459.db2.gz TUADCYWLTBTMCB-CTNGQTDRSA-N 2 0 411.981 3.698 20 0 HHADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679618 719649920 /nfs/dbraw/zinc/64/99/20/719649920.db2.gz IRRLQSDUFKBNKX-QFIPXVFZSA-N 2 0 410.610 3.690 20 0 HHADRP Cc1cc(C)[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683372 719657727 /nfs/dbraw/zinc/65/77/27/719657727.db2.gz VDPXJRDTRVSDCT-OAQYLSRUSA-N 2 0 420.601 3.792 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164839880 720701897 /nfs/dbraw/zinc/70/18/97/720701897.db2.gz CLTIHWKDYKBNBP-QHCPKHFHSA-N 2 0 406.574 3.942 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000524236776 1013046556 /nfs/dbraw/zinc/04/65/56/1013046556.db2.gz XRLZFFZWXTXWSR-UHFFFAOYSA-N 2 0 408.590 3.944 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000301388033 970900956 /nfs/dbraw/zinc/90/09/56/970900956.db2.gz DLGMTVCRYIKDLL-GOSISDBHSA-N 2 0 417.395 3.830 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)Cc2cccc(OC)n2)CC1 ZINC000542146647 1013081264 /nfs/dbraw/zinc/08/12/64/1013081264.db2.gz JCWMZASKVOHJSQ-ZWKOTPCHSA-N 2 0 400.542 3.653 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121028 971513524 /nfs/dbraw/zinc/51/35/24/971513524.db2.gz FSDSVIMGCASUOO-IRXDYDNUSA-N 2 0 400.485 3.949 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303164424 971537550 /nfs/dbraw/zinc/53/75/50/971537550.db2.gz FRVZLOQCUUNFTR-VXKWHMMOSA-N 2 0 412.622 3.731 20 0 HHADRP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172056 971541324 /nfs/dbraw/zinc/54/13/24/971541324.db2.gz VUVWDWCFUVKEMS-RXVVDRJESA-N 2 0 411.512 3.679 20 0 HHADRP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172054 971541361 /nfs/dbraw/zinc/54/13/61/971541361.db2.gz VUVWDWCFUVKEMS-GHTZIAJQSA-N 2 0 411.512 3.679 20 0 HHADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000524300483 1013112206 /nfs/dbraw/zinc/11/22/06/1013112206.db2.gz RVFRQGIXOIVZNB-LPHOPBHVSA-N 2 0 400.394 3.860 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000303491489 971789426 /nfs/dbraw/zinc/78/94/26/971789426.db2.gz SFYRPTSGAWBIQZ-REWPJTCUSA-N 2 0 424.589 3.652 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000303520126 971821246 /nfs/dbraw/zinc/82/12/46/971821246.db2.gz YVVZSEKSURFMEE-RDPSFJRHSA-N 2 0 424.589 3.652 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303651611 971931140 /nfs/dbraw/zinc/93/11/40/971931140.db2.gz KOMXJPWYXBHNNH-HBMCJLEFSA-N 2 0 400.611 3.879 20 0 HHADRP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303735844 971988693 /nfs/dbraw/zinc/98/86/93/971988693.db2.gz GMJPQYDUSLGUKG-DNRQZRRGSA-N 2 0 405.586 3.945 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000303777329 972021835 /nfs/dbraw/zinc/02/18/35/972021835.db2.gz CKKJCESCMOJDAP-LJQANCHMSA-N 2 0 412.553 3.693 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000542185554 1013125951 /nfs/dbraw/zinc/12/59/51/1013125951.db2.gz MBEKXMXJHFPETN-CNNODRBYSA-N 2 0 423.557 3.691 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@@H](C)O1 ZINC000303820075 972051780 /nfs/dbraw/zinc/05/17/80/972051780.db2.gz JVZLYCKTTIWNMH-IAGOWNOFSA-N 2 0 418.969 3.754 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000537622746 1013171183 /nfs/dbraw/zinc/17/11/83/1013171183.db2.gz ISEULBDPKZAMTG-UHFFFAOYSA-N 2 0 400.542 3.705 20 0 HHADRP C[NH+]1CCCC12CCN(Cc1cccc(CN3CCC4(CCC[N@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220155 /nfs/dbraw/zinc/22/01/55/1013220155.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 2 0 410.650 3.807 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000537660762 1013221460 /nfs/dbraw/zinc/22/14/60/1013221460.db2.gz GPQDMTPKOWGLNV-KDURUIRLSA-N 2 0 400.542 3.723 20 0 HHADRP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OCc1ccccn1 ZINC000537661916 1013222864 /nfs/dbraw/zinc/22/28/64/1013222864.db2.gz VYBKSFSLAXNFRQ-RUZDIDTESA-N 2 0 422.617 3.878 20 0 HHADRP COc1ccccc1O[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000537777190 1013340192 /nfs/dbraw/zinc/34/01/92/1013340192.db2.gz FLTRHVNGRNNZFD-QGZVFWFLSA-N 2 0 403.954 3.658 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844483 1013407420 /nfs/dbraw/zinc/40/74/20/1013407420.db2.gz IZYXFHXWXMMXJW-UHFFFAOYSA-N 2 0 416.953 3.921 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000542464032 1013412416 /nfs/dbraw/zinc/41/24/16/1013412416.db2.gz WDZJLNZLDWUIJU-ROUUACIJSA-N 2 0 400.567 3.606 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000048816718 964065095 /nfs/dbraw/zinc/06/50/95/964065095.db2.gz YEUGIYZAUICFLG-GBESFXJTSA-N 2 0 410.558 3.918 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531468 1013474064 /nfs/dbraw/zinc/47/40/64/1013474064.db2.gz KXYDJSZBGFJPMF-UXLLHSPISA-N 2 0 401.378 3.976 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000050136927 964274318 /nfs/dbraw/zinc/27/43/18/964274318.db2.gz UXIHIVSWHVCJIX-IBGZPJMESA-N 2 0 418.607 3.635 20 0 HHADRP C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000537897891 1013481920 /nfs/dbraw/zinc/48/19/20/1013481920.db2.gz VKSHNGWVNRNTGG-OAQYLSRUSA-N 2 0 421.589 3.604 20 0 HHADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026174466 964475113 /nfs/dbraw/zinc/47/51/13/964475113.db2.gz OFYXGKIVRYSADO-OAQYLSRUSA-N 2 0 420.601 3.919 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)CC1 ZINC000542591403 1013531813 /nfs/dbraw/zinc/53/18/13/1013531813.db2.gz GQUHCFFFLBZWEY-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000537968726 1013545510 /nfs/dbraw/zinc/54/55/10/1013545510.db2.gz UQUXZMXAHBYJMN-BRWVUGGUSA-N 2 0 415.500 3.902 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Br)c1 ZINC000537968398 1013545787 /nfs/dbraw/zinc/54/57/87/1013545787.db2.gz DQWNWRFKJDBKDG-CQSZACIVSA-N 2 0 422.342 3.730 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000537970447 1013547834 /nfs/dbraw/zinc/54/78/34/1013547834.db2.gz VINNIARKBGLGNT-LJQANCHMSA-N 2 0 402.542 3.891 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537972581 1013549536 /nfs/dbraw/zinc/54/95/36/1013549536.db2.gz QZVAJMVCIJJEQE-HSZRJFAPSA-N 2 0 407.558 3.824 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561524 /nfs/dbraw/zinc/56/15/24/1013561524.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 2 0 401.639 3.796 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057176776 965329464 /nfs/dbraw/zinc/32/94/64/965329464.db2.gz KYSPCIGEXKFVKF-JOCHJYFZSA-N 2 0 409.549 3.819 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000057854841 965565679 /nfs/dbraw/zinc/56/56/79/965565679.db2.gz FWONWXBITCZJAM-DEOSSOPVSA-N 2 0 412.622 3.977 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2)CC1 ZINC000057854509 965565964 /nfs/dbraw/zinc/56/59/64/965565964.db2.gz KECFJQCZHNPHQP-QHCPKHFHSA-N 2 0 400.611 3.833 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720010 965621398 /nfs/dbraw/zinc/62/13/98/965621398.db2.gz RVQXURNJAXGKGQ-YKSBVNFPSA-N 2 0 406.574 3.917 20 0 HHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030513425 965712877 /nfs/dbraw/zinc/71/28/77/965712877.db2.gz SOXZGIWGRJBJSM-QFIPXVFZSA-N 2 0 422.617 3.649 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000030919154 965832983 /nfs/dbraw/zinc/83/29/83/965832983.db2.gz JHWFPUIHQIEABD-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000058678243 965839905 /nfs/dbraw/zinc/83/99/05/965839905.db2.gz OBLITAKKWXQPCY-HSZRJFAPSA-N 2 0 400.611 3.851 20 0 HHADRP CCOc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OCC(C)C ZINC000542689911 1013608926 /nfs/dbraw/zinc/60/89/26/1013608926.db2.gz ACSQAPCONFHOGM-UHFFFAOYSA-N 2 0 417.638 3.970 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000059037721 965997982 /nfs/dbraw/zinc/99/79/82/965997982.db2.gz GELWIAZOIRTWHZ-JOCHJYFZSA-N 2 0 400.542 3.770 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc4[nH]c(=O)oc4c3)C(C)C)cn2)CC1 ZINC000538059812 1013636582 /nfs/dbraw/zinc/63/65/82/1013636582.db2.gz FYECDMPFLMIGRP-QFIPXVFZSA-N 2 0 409.534 3.557 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000060954423 966335552 /nfs/dbraw/zinc/33/55/52/966335552.db2.gz WPONNFLPLAILIC-BJKOFHAPSA-N 2 0 424.589 3.824 20 0 HHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000060979440 966342769 /nfs/dbraw/zinc/34/27/69/966342769.db2.gz DFZRJUUZEKIOOK-UHFFFAOYSA-N 2 0 410.587 3.862 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)CC1 ZINC000061198774 966394994 /nfs/dbraw/zinc/39/49/94/966394994.db2.gz DBLVEQFKQRSKBG-UHFFFAOYSA-N 2 0 400.611 3.554 20 0 HHADRP CC[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000061521197 966487704 /nfs/dbraw/zinc/48/77/04/966487704.db2.gz WWHURYHUHVKIKX-VWLOTQADSA-N 2 0 420.601 3.919 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056846044 966490831 /nfs/dbraw/zinc/49/08/31/966490831.db2.gz JSNVESLLXWMOPF-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000062503110 966693368 /nfs/dbraw/zinc/69/33/68/966693368.db2.gz IHDRHXKTUDUAQJ-QFIPXVFZSA-N 2 0 418.532 3.649 20 0 HHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100459 1013669379 /nfs/dbraw/zinc/66/93/79/1013669379.db2.gz FFPANPVEFXVTPA-FQEVSTJZSA-N 2 0 402.410 3.670 20 0 HHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000553882128 1013674442 /nfs/dbraw/zinc/67/44/42/1013674442.db2.gz AXBLMEUKPCMANJ-VWLOTQADSA-N 2 0 422.617 3.949 20 0 HHADRP CC(C)[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000063148503 966761734 /nfs/dbraw/zinc/76/17/34/966761734.db2.gz DTKHFZNJWFLKHQ-HSZRJFAPSA-N 2 0 416.679 3.872 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150769 966764167 /nfs/dbraw/zinc/76/41/67/966764167.db2.gz KIBWSDNXADPUOB-HYBUGGRVSA-N 2 0 422.642 3.951 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043137168 966914247 /nfs/dbraw/zinc/91/42/47/966914247.db2.gz UPFPKDPKHXCSFI-JOCHJYFZSA-N 2 0 410.562 3.724 20 0 HHADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000043391243 966964377 /nfs/dbraw/zinc/96/43/77/966964377.db2.gz MNZQXTFSMRXQCV-JOCHJYFZSA-N 2 0 416.610 3.929 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)c(C)c2)CC1 ZINC000043521998 966991037 /nfs/dbraw/zinc/99/10/37/966991037.db2.gz GGNHWQUDZJCGBN-OAQYLSRUSA-N 2 0 415.607 3.623 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043800393 967036913 /nfs/dbraw/zinc/03/69/13/967036913.db2.gz GEAQCZZGYRLKSQ-UHFFFAOYSA-N 2 0 409.578 3.602 20 0 HHADRP COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000542834368 1013697527 /nfs/dbraw/zinc/69/75/27/1013697527.db2.gz BPQFFUHROYSLBN-YFNKSVMNSA-N 2 0 407.558 3.662 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000064237582 967102043 /nfs/dbraw/zinc/10/20/43/967102043.db2.gz QOVGMHLFSGOIRT-ZEQRLZLVSA-N 2 0 408.590 3.604 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000064244567 967104280 /nfs/dbraw/zinc/10/42/80/967104280.db2.gz DYLGIVCDTQXOJQ-UHFFFAOYSA-N 2 0 414.619 3.911 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064251170 967105192 /nfs/dbraw/zinc/10/51/92/967105192.db2.gz LFPDSPXIYHAADE-LJQANCHMSA-N 2 0 406.640 3.771 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000064251242 967105361 /nfs/dbraw/zinc/10/53/61/967105361.db2.gz KMVOTESAFZGZMC-UHFFFAOYSA-N 2 0 400.592 3.521 20 0 HHADRP CSC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542846032 1013705172 /nfs/dbraw/zinc/70/51/72/1013705172.db2.gz JFGCHUBGFIMAEB-IBGZPJMESA-N 2 0 403.558 3.973 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000538157858 1013719171 /nfs/dbraw/zinc/71/91/71/1013719171.db2.gz NGWGOAFLAJMTQV-FQEVSTJZSA-N 2 0 400.567 3.501 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000065438954 967466121 /nfs/dbraw/zinc/46/61/21/967466121.db2.gz YMVZHSCTAOWQMU-UNMCSNQZSA-N 2 0 421.589 3.786 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000065470234 967483544 /nfs/dbraw/zinc/48/35/44/967483544.db2.gz FTPVIYVBSUOWCL-VQTJNVASSA-N 2 0 400.592 3.796 20 0 HHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000065549321 967514704 /nfs/dbraw/zinc/51/47/04/967514704.db2.gz FNOVHVRDPGVUDC-SFHVURJKSA-N 2 0 404.574 3.600 20 0 HHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515807 /nfs/dbraw/zinc/51/58/07/967515807.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 2 0 400.611 3.723 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000045789394 967552945 /nfs/dbraw/zinc/55/29/45/967552945.db2.gz GNFJNEBBPGXGST-OAQYLSRUSA-N 2 0 412.622 3.936 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196461 1013752875 /nfs/dbraw/zinc/75/28/75/1013752875.db2.gz IKONKFZGHAICTA-NVQXNPDNSA-N 2 0 422.617 3.599 20 0 HHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196458 1013752931 /nfs/dbraw/zinc/75/29/31/1013752931.db2.gz IKONKFZGHAICTA-ATIYNZHBSA-N 2 0 422.617 3.599 20 0 HHADRP CC[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000047306006 968132914 /nfs/dbraw/zinc/13/29/14/968132914.db2.gz AMPHZZJZYQNVKJ-VWLOTQADSA-N 2 0 405.586 3.852 20 0 HHADRP COc1cccc([C@@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268521 1013809040 /nfs/dbraw/zinc/80/90/40/1013809040.db2.gz IODNNQOGFIDZOH-XZOQPEGZSA-N 2 0 409.574 3.876 20 0 HHADRP COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000072027246 968940665 /nfs/dbraw/zinc/94/06/65/968940665.db2.gz IHDQCJOQJJARHA-BJKOFHAPSA-N 2 0 407.558 3.613 20 0 HHADRP COc1c(C)cc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072074068 968975621 /nfs/dbraw/zinc/97/56/21/968975621.db2.gz OMANRAPPULSXGZ-NRFANRHFSA-N 2 0 423.601 3.913 20 0 HHADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097325 968990246 /nfs/dbraw/zinc/99/02/46/968990246.db2.gz VGDNWCRPXUNRME-IBGZPJMESA-N 2 0 423.557 3.629 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000108531889 969391112 /nfs/dbraw/zinc/39/11/12/969391112.db2.gz IHPWZQXLHPCPFI-UHFFFAOYSA-N 2 0 409.574 3.931 20 0 HHADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000109339332 969501965 /nfs/dbraw/zinc/50/19/65/969501965.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 2 0 409.549 3.772 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccco1 ZINC000109900347 969590271 /nfs/dbraw/zinc/59/02/71/969590271.db2.gz OZFCUNQITBZVJJ-JOCHJYFZSA-N 2 0 412.578 3.623 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000110121325 969625812 /nfs/dbraw/zinc/62/58/12/969625812.db2.gz MWMJAXRPEPNGAK-UHFFFAOYSA-N 2 0 408.590 3.917 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)C1 ZINC000110149172 969629913 /nfs/dbraw/zinc/62/99/13/969629913.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 2 0 411.512 3.678 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000110430681 969667311 /nfs/dbraw/zinc/66/73/11/969667311.db2.gz CLMIRBYJPHHPGG-VIZSFHNOSA-N 2 0 418.622 3.545 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1)C(C)C ZINC000110600769 969694785 /nfs/dbraw/zinc/69/47/85/969694785.db2.gz XYJKYOAXNYPOEF-RUZDIDTESA-N 2 0 422.617 3.635 20 0 HHADRP CC[NH+](CC)[C@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000111045291 969766876 /nfs/dbraw/zinc/76/68/76/969766876.db2.gz VFWCNQDNTJCOJT-DEOSSOPVSA-N 2 0 408.590 3.846 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000554377036 1013925365 /nfs/dbraw/zinc/92/53/65/1013925365.db2.gz BYIKQXUQHNITEN-UHFFFAOYSA-N 2 0 401.599 3.525 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccsc1 ZINC000139943690 970055262 /nfs/dbraw/zinc/05/52/62/970055262.db2.gz SGOFASNUMYHNLT-FQEVSTJZSA-N 2 0 418.632 3.764 20 0 HHADRP c1[nH]nc(-c2cccnc2)c1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000236712189 970161382 /nfs/dbraw/zinc/16/13/82/970161382.db2.gz OAXXMXTWAIOQNH-UHFFFAOYSA-N 2 0 405.546 3.633 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000236801707 970174506 /nfs/dbraw/zinc/17/45/06/970174506.db2.gz OWSFWLUALMWEOH-VWLOTQADSA-N 2 0 411.590 3.829 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000236815032 970175582 /nfs/dbraw/zinc/17/55/82/970175582.db2.gz FSBAUTDTGTXFLZ-UHFFFAOYSA-N 2 0 418.589 3.706 20 0 HHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000236882905 970184461 /nfs/dbraw/zinc/18/44/61/970184461.db2.gz HSZVKQVMSUYJMT-UHFFFAOYSA-N 2 0 420.557 3.990 20 0 HHADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)(N2CCCCC2)CC1 ZINC000237066026 970216585 /nfs/dbraw/zinc/21/65/85/970216585.db2.gz ZCKDEPLQCOEUAV-UHFFFAOYSA-N 2 0 408.590 3.701 20 0 HHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000237083848 970219584 /nfs/dbraw/zinc/21/95/84/970219584.db2.gz TUDKOZBKXRVMSA-UHFFFAOYSA-N 2 0 421.564 3.714 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000237191500 970239005 /nfs/dbraw/zinc/23/90/05/970239005.db2.gz PVQMPYVFMRKDDA-UHFFFAOYSA-N 2 0 414.500 3.998 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000237318458 970261316 /nfs/dbraw/zinc/26/13/16/970261316.db2.gz PHYKVVHQBGMPOG-XMMPIXPASA-N 2 0 421.585 3.660 20 0 HHADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000145488485 970262989 /nfs/dbraw/zinc/26/29/89/970262989.db2.gz DHBKABRUPJIPCN-JOCHJYFZSA-N 2 0 414.594 3.557 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000237402794 970278419 /nfs/dbraw/zinc/27/84/19/970278419.db2.gz CIMYIGPXIOEZOC-HZPDHXFCSA-N 2 0 409.368 3.704 20 0 HHADRP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)CN1CC[NH+](C)CC1 ZINC000237419152 970281899 /nfs/dbraw/zinc/28/18/99/970281899.db2.gz SBMMFWBJBCCTIG-FQEVSTJZSA-N 2 0 423.630 3.633 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000237502057 970303597 /nfs/dbraw/zinc/30/35/97/970303597.db2.gz UUJXNYUOYPQBRN-HNNXBMFYSA-N 2 0 408.409 3.903 20 0 HHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000237502431 970303653 /nfs/dbraw/zinc/30/36/53/970303653.db2.gz OOFFECHUIOYXHN-QFIPXVFZSA-N 2 0 417.601 3.632 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000148966012 970377762 /nfs/dbraw/zinc/37/77/62/970377762.db2.gz ONOOXGWTPMJDFK-UTKZUKDTSA-N 2 0 418.582 3.701 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000237880196 970388106 /nfs/dbraw/zinc/38/81/06/970388106.db2.gz RYCMWQUGCVETKR-OAQYLSRUSA-N 2 0 404.986 3.528 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237924329 970395355 /nfs/dbraw/zinc/39/53/55/970395355.db2.gz MJACXJFPNAIVJO-RUZDIDTESA-N 2 0 414.553 3.736 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC3CCCC3)c2)C1 ZINC000237922632 970395593 /nfs/dbraw/zinc/39/55/93/970395593.db2.gz YNAXJTKKWCOROX-HSZRJFAPSA-N 2 0 421.585 3.995 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000237934120 970397919 /nfs/dbraw/zinc/39/79/19/970397919.db2.gz JDQCRAWBQOVDLS-SFHVURJKSA-N 2 0 406.357 3.981 20 0 HHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000237965668 970407436 /nfs/dbraw/zinc/40/74/36/970407436.db2.gz VPMVHYQBEGALLR-SFHVURJKSA-N 2 0 424.408 3.899 20 0 HHADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195606780 970549411 /nfs/dbraw/zinc/54/94/11/970549411.db2.gz WAANTTQRXPERKN-BJKOFHAPSA-N 2 0 406.574 3.787 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000410312518 973855917 /nfs/dbraw/zinc/85/59/17/973855917.db2.gz SBPDHZFZWGLONO-UHFFFAOYSA-N 2 0 420.601 3.611 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000410392800 973990676 /nfs/dbraw/zinc/99/06/76/973990676.db2.gz MCEPPAXOFCUVEH-HXUWFJFHSA-N 2 0 408.590 3.980 20 0 HHADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1O ZINC000426161265 974274367 /nfs/dbraw/zinc/27/43/67/974274367.db2.gz LQCJDOHLVNWKFH-ZWKOTPCHSA-N 2 0 415.553 3.964 20 0 HHADRP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426813956 974679874 /nfs/dbraw/zinc/67/98/74/974679874.db2.gz AXWQEWURLWSFMJ-ZCNNSNEGSA-N 2 0 424.589 3.773 20 0 HHADRP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426814229 974680094 /nfs/dbraw/zinc/68/00/94/974680094.db2.gz DKEBYYZXAQBHCH-NJDAHSKKSA-N 2 0 405.627 3.593 20 0 HHADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426820670 974686015 /nfs/dbraw/zinc/68/60/15/974686015.db2.gz MKROIMGIWPRQAY-CEXWTWQISA-N 2 0 422.013 3.556 20 0 HHADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426826907 974691925 /nfs/dbraw/zinc/69/19/25/974691925.db2.gz QIKBDCCHEZAQBL-LNRXMEIDSA-N 2 0 415.622 3.772 20 0 HHADRP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426827108 974692144 /nfs/dbraw/zinc/69/21/44/974692144.db2.gz HIPLNYUILHMBMR-QRVBRYPASA-N 2 0 422.013 3.556 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830481 974694908 /nfs/dbraw/zinc/69/49/08/974694908.db2.gz YMBRBDHFIOOISK-BDTNDASRSA-N 2 0 415.622 3.553 20 0 HHADRP C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356692 975074875 /nfs/dbraw/zinc/07/48/75/975074875.db2.gz HMPCUPNWGMIYKZ-SFTDATJTSA-N 2 0 413.606 3.634 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283286 975596620 /nfs/dbraw/zinc/59/66/20/975596620.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 2 0 420.601 3.787 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428534072 975829486 /nfs/dbraw/zinc/82/94/86/975829486.db2.gz DTHDFXPEKKENEL-NOZRDPDXSA-N 2 0 411.565 3.614 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428534074 975829782 /nfs/dbraw/zinc/82/97/82/975829782.db2.gz DTHDFXPEKKENEL-ZCYQVOJMSA-N 2 0 411.565 3.614 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900504 976202482 /nfs/dbraw/zinc/20/24/82/976202482.db2.gz HVNCBYOTCPNANS-IRLDBZIGSA-N 2 0 424.589 3.968 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429331310 976596383 /nfs/dbraw/zinc/59/63/83/976596383.db2.gz VBRKSODGYSQTIV-FQEVSTJZSA-N 2 0 421.541 3.515 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429602758 976883784 /nfs/dbraw/zinc/88/37/84/976883784.db2.gz QCEUHIIONFIENQ-YADHBBJMSA-N 2 0 424.593 3.587 20 0 HHADRP Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429602757 976884257 /nfs/dbraw/zinc/88/42/57/976884257.db2.gz QCEUHIIONFIENQ-VXKWHMMOSA-N 2 0 424.593 3.587 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000430020116 977275713 /nfs/dbraw/zinc/27/57/13/977275713.db2.gz IZKJXNUSLUIQQF-PMACEKPBSA-N 2 0 420.557 3.780 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000430935106 977899870 /nfs/dbraw/zinc/89/98/70/977899870.db2.gz RYSBHBMDAKVZMC-UHFFFAOYSA-N 2 0 421.029 3.797 20 0 HHADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430955561 977911702 /nfs/dbraw/zinc/91/17/02/977911702.db2.gz ZEVBHHYMWKHXQL-NRFANRHFSA-N 2 0 414.638 3.759 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431138351 978042861 /nfs/dbraw/zinc/04/28/61/978042861.db2.gz MEAAKCCCSWIJRR-UHFFFAOYSA-N 2 0 412.582 3.574 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157843 978058487 /nfs/dbraw/zinc/05/84/87/978058487.db2.gz ZBYICHMMXMDPOR-QFIPXVFZSA-N 2 0 424.593 3.587 20 0 HHADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431354779 978231962 /nfs/dbraw/zinc/23/19/62/978231962.db2.gz ZMWGWMVPZIZZGX-RUZDIDTESA-N 2 0 405.586 3.926 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000431628826 978395390 /nfs/dbraw/zinc/39/53/90/978395390.db2.gz AIISLCJPDKYUQM-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000431650700 978410111 /nfs/dbraw/zinc/41/01/11/978410111.db2.gz VZQQIFPJYJYMSX-UHFFFAOYSA-N 2 0 400.611 3.840 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000431677032 978429679 /nfs/dbraw/zinc/42/96/79/978429679.db2.gz TVRKKCOPPRHJMX-UCFCWBNQSA-N 2 0 424.589 3.650 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000431677030 978429843 /nfs/dbraw/zinc/42/98/43/978429843.db2.gz TVRKKCOPPRHJMX-CKUXNOBLSA-N 2 0 424.589 3.650 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431698104 978442819 /nfs/dbraw/zinc/44/28/19/978442819.db2.gz KUIGIWWJRQPPSQ-YKSBVNFPSA-N 2 0 408.590 3.991 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699929 978444374 /nfs/dbraw/zinc/44/43/74/978444374.db2.gz SXTDTZPFAJKYJG-NFBKMPQASA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](C)[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000431751586 978483878 /nfs/dbraw/zinc/48/38/78/978483878.db2.gz DXEFIEDZBOIAGO-DEOSSOPVSA-N 2 0 406.574 3.850 20 0 HHADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000431774663 978502880 /nfs/dbraw/zinc/50/28/80/978502880.db2.gz FTNAIFXSXWFJJA-DEOSSOPVSA-N 2 0 413.606 3.821 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854704 978553848 /nfs/dbraw/zinc/55/38/48/978553848.db2.gz PNHLMOJJVBMSQL-VIZSFHNOSA-N 2 0 405.627 3.521 20 0 HHADRP C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCC[C@H](C)C1 ZINC000431920825 978602153 /nfs/dbraw/zinc/60/21/53/978602153.db2.gz VKLDBZDPELXNDY-VXKWHMMOSA-N 2 0 412.622 3.805 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](CC)CC)cc1 ZINC000431976364 978626723 /nfs/dbraw/zinc/62/67/23/978626723.db2.gz CJOBUZLBWSJXPO-GLCCWIKHSA-N 2 0 400.611 3.946 20 0 HHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000432426368 978807320 /nfs/dbraw/zinc/80/73/20/978807320.db2.gz ZNLPGRUHINFRFV-SVFBPWRDSA-N 2 0 408.558 3.925 20 0 HHADRP CC[C@@]1(CO)CCC[N@H+](Cc2cc(C[NH+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975733 /nfs/dbraw/zinc/97/57/33/978975733.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 2 0 418.622 3.664 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835933 978988004 /nfs/dbraw/zinc/98/80/04/978988004.db2.gz KFXTUMYQCFGJES-PXDATVDWSA-N 2 0 405.586 3.954 20 0 HHADRP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050380 979052207 /nfs/dbraw/zinc/05/22/07/979052207.db2.gz BKTJMXVVYUSIKI-QFIPXVFZSA-N 2 0 405.586 3.722 20 0 HHADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433270534 979204816 /nfs/dbraw/zinc/20/48/16/979204816.db2.gz KXINQXLDZFRVQG-IBGZPJMESA-N 2 0 408.384 3.608 20 0 HHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433366009 979257722 /nfs/dbraw/zinc/25/77/22/979257722.db2.gz NJVJQSNAULLCAQ-KKSFZXQISA-N 2 0 403.929 3.964 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000433387972 979269676 /nfs/dbraw/zinc/26/96/76/979269676.db2.gz SOQLKNYCQDXDEC-RZUBCFFCSA-N 2 0 421.601 3.698 20 0 HHADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449237 980188590 /nfs/dbraw/zinc/18/85/90/980188590.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 2 0 409.496 3.574 20 0 HHADRP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434642061 980314000 /nfs/dbraw/zinc/31/40/00/980314000.db2.gz CJTAKHSCQSKENM-UHFFFAOYSA-N 2 0 416.525 3.998 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521265 980917050 /nfs/dbraw/zinc/91/70/50/980917050.db2.gz GJKPJZOGXPMARF-NNWRFLSQSA-N 2 0 424.593 3.585 20 0 HHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000436379744 981337264 /nfs/dbraw/zinc/33/72/64/981337264.db2.gz RVHDHONZNIQELI-JOCHJYFZSA-N 2 0 422.573 3.519 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436406374 981351479 /nfs/dbraw/zinc/35/14/79/981351479.db2.gz GEGJKYUCQXARNZ-BEFAXECRSA-N 2 0 419.919 3.665 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448206414 981618700 /nfs/dbraw/zinc/61/87/00/981618700.db2.gz UZAMBXSHPHUXIZ-IZIIKQMZSA-N 2 0 410.606 3.870 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214364 981628471 /nfs/dbraw/zinc/62/84/71/981628471.db2.gz SKJAIBFBDZCKAS-NHTMILBNSA-N 2 0 412.622 3.598 20 0 HHADRP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235345 981644799 /nfs/dbraw/zinc/64/47/99/981644799.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 0 417.623 3.856 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000448467387 981804558 /nfs/dbraw/zinc/80/45/58/981804558.db2.gz QHMCCIJFVPYCJN-JOCHJYFZSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818828 /nfs/dbraw/zinc/81/88/28/981818828.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 2 0 400.611 3.660 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000460100035 981875969 /nfs/dbraw/zinc/87/59/69/981875969.db2.gz CSSYRHQVXRPJNI-AOHZBQACSA-N 2 0 424.564 3.592 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460171632 981943034 /nfs/dbraw/zinc/94/30/34/981943034.db2.gz XBOGKMBPXIFDQY-GMKZXUHWSA-N 2 0 412.622 3.662 20 0 HHADRP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460319293 982097009 /nfs/dbraw/zinc/09/70/09/982097009.db2.gz NRWAHSAMDZCSLW-ZEQRLZLVSA-N 2 0 412.622 3.806 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000437573634 982205400 /nfs/dbraw/zinc/20/54/00/982205400.db2.gz BYQJZDWMBXVVHX-LJQANCHMSA-N 2 0 422.017 3.820 20 0 HHADRP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000437644371 982263818 /nfs/dbraw/zinc/26/38/18/982263818.db2.gz VYFZRYGHGGHVEX-LADGPHEKSA-N 2 0 412.622 3.647 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460553201 982339049 /nfs/dbraw/zinc/33/90/49/982339049.db2.gz WYGSCUIESVVBLI-JTHBVZDNSA-N 2 0 424.564 3.551 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000438081445 982577315 /nfs/dbraw/zinc/57/73/15/982577315.db2.gz QGZUUWKYZMHLPN-UHFFFAOYSA-N 2 0 424.589 3.628 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000438087415 982580622 /nfs/dbraw/zinc/58/06/22/982580622.db2.gz LEKISBRIQHHZSL-GOSISDBHSA-N 2 0 412.578 3.727 20 0 HHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C[C@@H](C)O1 ZINC000438114910 982595031 /nfs/dbraw/zinc/59/50/31/982595031.db2.gz PLYOQCRFOHRSBD-WOJBJXKFSA-N 2 0 414.569 3.782 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000438159167 982622181 /nfs/dbraw/zinc/62/21/81/982622181.db2.gz YAVZMBLHJSYYFR-QHCPKHFHSA-N 2 0 422.658 3.564 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000461088144 982782873 /nfs/dbraw/zinc/78/28/73/982782873.db2.gz LXDPALDZWSWEEK-CTOYRMGLSA-N 2 0 402.579 3.753 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438502557 982843907 /nfs/dbraw/zinc/84/39/07/982843907.db2.gz CLRQYARVMVHFPE-HXUWFJFHSA-N 2 0 411.550 3.754 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438635010 982954286 /nfs/dbraw/zinc/95/42/86/982954286.db2.gz ZTWAZBDKSQEIAA-QGZVFWFLSA-N 2 0 400.489 3.671 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438837232 983105923 /nfs/dbraw/zinc/10/59/23/983105923.db2.gz INCGRXULOBEVBV-HXUWFJFHSA-N 2 0 423.605 3.947 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438864268 983129813 /nfs/dbraw/zinc/12/98/13/983129813.db2.gz JOCLGXNKGOIQAE-KNQAVFIVSA-N 2 0 401.599 3.561 20 0 HHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000438865652 983130561 /nfs/dbraw/zinc/13/05/61/983130561.db2.gz RZHPEHZIJSNONN-WOJBJXKFSA-N 2 0 415.626 3.807 20 0 HHADRP CC(C)[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)N1CC[NH+](C)CC1 ZINC000439148051 983272917 /nfs/dbraw/zinc/27/29/17/983272917.db2.gz QGGYLHWPKHQGQR-MAUKXSAKSA-N 2 0 400.430 3.823 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000439198316 983305808 /nfs/dbraw/zinc/30/58/08/983305808.db2.gz CHLKPAVMVUESRU-FQEVSTJZSA-N 2 0 415.626 3.664 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCc1ccccc1F ZINC000439595239 983464818 /nfs/dbraw/zinc/46/48/18/983464818.db2.gz JGFWWQGEBSXVQG-GOSISDBHSA-N 2 0 409.505 3.845 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000439763153 983528872 /nfs/dbraw/zinc/52/88/72/983528872.db2.gz VEYLSDIFCFFSJH-KRWDZBQOSA-N 2 0 406.530 3.845 20 0 HHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765069 983529492 /nfs/dbraw/zinc/52/94/92/983529492.db2.gz DRKCYOLPWHJVDG-REWPJTCUSA-N 2 0 406.574 3.635 20 0 HHADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000440175964 983670334 /nfs/dbraw/zinc/67/03/34/983670334.db2.gz NTVRQXGHPOFGFL-XXBNENTESA-N 2 0 415.626 3.807 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000440834271 983929218 /nfs/dbraw/zinc/92/92/18/983929218.db2.gz OJFVLBWQQBZYJT-UHFFFAOYSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000441057626 984047473 /nfs/dbraw/zinc/04/74/73/984047473.db2.gz AHRBZVQMDVVHEG-RXFWQSSRSA-N 2 0 405.586 3.666 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000441252891 984139681 /nfs/dbraw/zinc/13/96/81/984139681.db2.gz GZYDKDGXHWNTGZ-COXVUDFISA-N 2 0 400.350 3.506 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1(C)C ZINC000441382136 984221184 /nfs/dbraw/zinc/22/11/84/984221184.db2.gz NGXQKLKBLIIMKO-UHFFFAOYSA-N 2 0 418.029 3.939 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000441533589 984308183 /nfs/dbraw/zinc/30/81/83/984308183.db2.gz NLKIHOZFPMWDIS-UHFFFAOYSA-N 2 0 400.611 3.660 20 0 HHADRP CC(C)[C@H](C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)N1CC[NH+](C)CC1 ZINC000461796809 984784196 /nfs/dbraw/zinc/78/41/96/984784196.db2.gz JMBVMVGWNLVKPX-VWLOTQADSA-N 2 0 415.572 3.980 20 0 HHADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000462024600 985002040 /nfs/dbraw/zinc/00/20/40/985002040.db2.gz CSBHGBSQELNDBC-UHFFFAOYSA-N 2 0 406.574 3.823 20 0 HHADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874812 985254296 /nfs/dbraw/zinc/25/42/96/985254296.db2.gz NYLCEDXCBVMHFA-ZDUSSCGKSA-N 2 0 407.452 3.566 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462520337 985470296 /nfs/dbraw/zinc/47/02/96/985470296.db2.gz HDTDJCAZWWLAFN-YADARESESA-N 2 0 424.564 3.610 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532005 985480686 /nfs/dbraw/zinc/48/06/86/985480686.db2.gz XZPJQMQMJKICHY-YKSBVNFPSA-N 2 0 406.574 3.602 20 0 HHADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)s1 ZINC000443310159 985485562 /nfs/dbraw/zinc/48/55/62/985485562.db2.gz IKBPQYSWKVRGSR-HIFRSBDPSA-N 2 0 410.381 3.580 20 0 HHADRP CC(C)C[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468016410 985668926 /nfs/dbraw/zinc/66/89/26/985668926.db2.gz IUZIMOBHRFUOPV-XXBNENTESA-N 2 0 400.611 3.926 20 0 HHADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n(C)c1C ZINC000462785817 985720601 /nfs/dbraw/zinc/72/06/01/985720601.db2.gz SAVKKIDTWOZUDZ-UHFFFAOYSA-N 2 0 403.954 3.775 20 0 HHADRP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000462791383 985725040 /nfs/dbraw/zinc/72/50/40/985725040.db2.gz OSNFVKZGAVTYES-UHFFFAOYSA-N 2 0 410.558 3.888 20 0 HHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824455 985748103 /nfs/dbraw/zinc/74/81/03/985748103.db2.gz YPXCXCLKIDAFAK-UGKGYDQZSA-N 2 0 410.599 3.793 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000462917661 985851300 /nfs/dbraw/zinc/85/13/00/985851300.db2.gz XDJHPYWQBQAZLV-FQEVSTJZSA-N 2 0 419.411 3.720 20 0 HHADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1(C)C ZINC000463015381 985970384 /nfs/dbraw/zinc/97/03/84/985970384.db2.gz WZIACWMBCMAXBR-PKTZIBPZSA-N 2 0 404.595 3.858 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3c3ccc(F)cc3)c2)C1 ZINC000468430616 986128942 /nfs/dbraw/zinc/12/89/42/986128942.db2.gz RWIIGBZTVXVORJ-NHTMILBNSA-N 2 0 409.549 3.949 20 0 HHADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000463189732 986161532 /nfs/dbraw/zinc/16/15/32/986161532.db2.gz KPJINYNAMUJVFK-DMKHAHDWSA-N 2 0 407.602 3.512 20 0 HHADRP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444201684 986381278 /nfs/dbraw/zinc/38/12/78/986381278.db2.gz CLESYOXIVBLYPP-NRFANRHFSA-N 2 0 409.578 3.626 20 0 HHADRP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000463447631 986427738 /nfs/dbraw/zinc/42/77/38/986427738.db2.gz ZQVGRUYCIZJGGB-UXHICEINSA-N 2 0 411.384 3.671 20 0 HHADRP COc1ccc(Cn2nc(C)c(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)c2C)cc1 ZINC000463744454 986732886 /nfs/dbraw/zinc/73/28/86/986732886.db2.gz IBJQPQDCIAMSPX-UHFFFAOYSA-N 2 0 419.573 3.958 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000469039537 986749345 /nfs/dbraw/zinc/74/93/45/986749345.db2.gz PIFXHPNKOJVCBI-NQIIRXRSSA-N 2 0 412.544 3.537 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000469051361 986761739 /nfs/dbraw/zinc/76/17/39/986761739.db2.gz UMSKLEAYAFIWMI-JOCHJYFZSA-N 2 0 412.622 3.557 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000444714976 986888184 /nfs/dbraw/zinc/88/81/84/986888184.db2.gz BUSWASHRUIFHDY-IBGZPJMESA-N 2 0 407.558 3.659 20 0 HHADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000444738228 986906679 /nfs/dbraw/zinc/90/66/79/986906679.db2.gz RRXAXBVAKYXBCU-HNAYVOBHSA-N 2 0 404.352 3.519 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000469433556 987120289 /nfs/dbraw/zinc/12/02/89/987120289.db2.gz FYJTXBKSPLQFPF-XMMPIXPASA-N 2 0 423.605 3.502 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000469491193 987172102 /nfs/dbraw/zinc/17/21/02/987172102.db2.gz CQJBZVYRCPREGP-UHFFFAOYSA-N 2 0 420.601 3.565 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000469713447 987368416 /nfs/dbraw/zinc/36/84/16/987368416.db2.gz OSDRCXFFNSMLBG-UHFFFAOYSA-N 2 0 401.595 3.541 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000469756819 987409859 /nfs/dbraw/zinc/40/98/59/987409859.db2.gz IJYMTCSUVGDFMC-QWFCFKBJSA-N 2 0 402.966 3.826 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000469765377 987417842 /nfs/dbraw/zinc/41/78/42/987417842.db2.gz TZFWZLDOJPWFIN-PMACEKPBSA-N 2 0 419.569 3.809 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000469780416 987427863 /nfs/dbraw/zinc/42/78/63/987427863.db2.gz OAQNGSQCBVVEJS-CQSZACIVSA-N 2 0 409.443 3.535 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000470216220 988142266 /nfs/dbraw/zinc/14/22/66/988142266.db2.gz PXJWUAJDEYGBAR-LJQANCHMSA-N 2 0 406.368 3.930 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC000470279396 988234519 /nfs/dbraw/zinc/23/45/19/988234519.db2.gz KKWHRVNOQXTDJZ-APWZRJJASA-N 2 0 414.516 3.681 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470283341 988239502 /nfs/dbraw/zinc/23/95/02/988239502.db2.gz MYAFIBZHUKNAKF-PPSBMQLTSA-N 2 0 414.516 3.728 20 0 HHADRP Cc1cccc(S(=O)(=O)CCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000464483822 988654711 /nfs/dbraw/zinc/65/47/11/988654711.db2.gz ZRHFUMXAZYQJQS-UHFFFAOYSA-N 2 0 415.603 3.792 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470738671 988776337 /nfs/dbraw/zinc/77/63/37/988776337.db2.gz XACRDVLMOBIEOE-UNMCSNQZSA-N 2 0 412.622 3.934 20 0 HHADRP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)CC1 ZINC000470754597 988796734 /nfs/dbraw/zinc/79/67/34/988796734.db2.gz IRZBJAVNKMLJIB-XMMPIXPASA-N 2 0 412.622 3.792 20 0 HHADRP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470897160 988970182 /nfs/dbraw/zinc/97/01/82/988970182.db2.gz LVLQATIAZDDVAD-HSZRJFAPSA-N 2 0 400.611 3.949 20 0 HHADRP C[C@@H](OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000470998560 989064985 /nfs/dbraw/zinc/06/49/85/989064985.db2.gz YWPLWUGBPQKUQQ-MWIHYIROSA-N 2 0 414.977 3.842 20 0 HHADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000471001707 989068343 /nfs/dbraw/zinc/06/83/43/989068343.db2.gz RLRCDGSVOYYRMF-XXBNENTESA-N 2 0 424.589 3.583 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000464830835 989071606 /nfs/dbraw/zinc/07/16/06/989071606.db2.gz MPJWFGCNURPBCP-PMACEKPBSA-N 2 0 406.640 3.798 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011622 989080592 /nfs/dbraw/zinc/08/05/92/989080592.db2.gz ZYTASBMGZZHMQK-KDURUIRLSA-N 2 0 413.949 3.741 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956219 989254025 /nfs/dbraw/zinc/25/40/25/989254025.db2.gz WWGGVCZTZNYDQT-REWPJTCUSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000464956216 989254562 /nfs/dbraw/zinc/25/45/62/989254562.db2.gz WWGGVCZTZNYDQT-NZQKXSOJSA-N 2 0 400.611 3.838 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000465076694 989396594 /nfs/dbraw/zinc/39/65/94/989396594.db2.gz FDYMLEIDPASGIC-PKTZIBPZSA-N 2 0 400.611 3.518 20 0 HHADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)C1 ZINC000465185716 989521370 /nfs/dbraw/zinc/52/13/70/989521370.db2.gz NSAYDFPNBHAEFD-LJQANCHMSA-N 2 0 411.546 3.600 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000471374829 989551416 /nfs/dbraw/zinc/55/14/16/989551416.db2.gz SYLKRQBPHVAUMP-GGPKGHCWSA-N 2 0 414.619 3.807 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416865 989762949 /nfs/dbraw/zinc/76/29/49/989762949.db2.gz YFVAFOFYKUUETD-NZQKXSOJSA-N 2 0 416.610 3.596 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416867 989763222 /nfs/dbraw/zinc/76/32/22/989763222.db2.gz YFVAFOFYKUUETD-REWPJTCUSA-N 2 0 416.610 3.596 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000465419393 989764680 /nfs/dbraw/zinc/76/46/80/989764680.db2.gz AXCMTPOHJMDEAW-AUSIDOKSSA-N 2 0 412.553 3.734 20 0 HHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)ccc21 ZINC000465429579 989774760 /nfs/dbraw/zinc/77/47/60/989774760.db2.gz HSPJAZSVMGACDK-HSZRJFAPSA-N 2 0 414.594 3.715 20 0 HHADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603882 989807845 /nfs/dbraw/zinc/80/78/45/989807845.db2.gz VJWZAPFYUQHIKB-GVAUOCQISA-N 2 0 418.585 3.597 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000471605404 989808811 /nfs/dbraw/zinc/80/88/11/989808811.db2.gz LVUIYAPLUZJSGR-VQIMIIECSA-N 2 0 402.583 3.942 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465520432 989872863 /nfs/dbraw/zinc/87/28/63/989872863.db2.gz AQIBECYJLLSFHN-NQIIRXRSSA-N 2 0 407.002 3.850 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465521152 989873865 /nfs/dbraw/zinc/87/38/65/989873865.db2.gz AQIBECYJLLSFHN-RXVVDRJESA-N 2 0 407.002 3.850 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465534353 989895984 /nfs/dbraw/zinc/89/59/84/989895984.db2.gz PZWZLRNASAZTAL-FUPPJEDESA-N 2 0 400.611 3.518 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000465558322 989923193 /nfs/dbraw/zinc/92/31/93/989923193.db2.gz OPQYAIVNLCCZQU-SFTDATJTSA-N 2 0 400.611 3.792 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000465569426 989937563 /nfs/dbraw/zinc/93/75/63/989937563.db2.gz MXJJMQVGBSEWQE-QFIPXVFZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000465584148 989956482 /nfs/dbraw/zinc/95/64/82/989956482.db2.gz ZMADSZVTBQLJGP-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000465592404 989971062 /nfs/dbraw/zinc/97/10/62/989971062.db2.gz DZHVBPNJGGAHTE-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000465609377 989992006 /nfs/dbraw/zinc/99/20/06/989992006.db2.gz UFQFGHITXLLGSU-CTNGQTDRSA-N 2 0 406.640 3.942 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465623324 990008476 /nfs/dbraw/zinc/00/84/76/990008476.db2.gz FVEPEYRFWQQPHX-NRFANRHFSA-N 2 0 407.002 3.820 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465739400 990124958 /nfs/dbraw/zinc/12/49/58/990124958.db2.gz DZVPRWBAKBPJLE-GBEXAXCTSA-N 2 0 414.638 3.906 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000465745797 990130938 /nfs/dbraw/zinc/13/09/38/990130938.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 2 0 420.601 3.985 20 0 HHADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471991752 990158433 /nfs/dbraw/zinc/15/84/33/990158433.db2.gz KMRXDDPJPMIURL-INIZCTEOSA-N 2 0 421.372 3.820 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001179 990169424 /nfs/dbraw/zinc/16/94/24/990169424.db2.gz GIXPNVVXDDWLLA-NQHRYMMQSA-N 2 0 420.601 3.718 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472001180 990169594 /nfs/dbraw/zinc/16/95/94/990169594.db2.gz GIXPNVVXDDWLLA-SDUSCBPUSA-N 2 0 420.601 3.718 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000465816774 990199989 /nfs/dbraw/zinc/19/99/89/990199989.db2.gz QOMPIPPTCAWZJW-IFMALSPDSA-N 2 0 412.578 3.969 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000465822679 990206113 /nfs/dbraw/zinc/20/61/13/990206113.db2.gz ZJYLWSBOTVJSLQ-HSZRJFAPSA-N 2 0 400.611 3.936 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000465866415 990977806 /nfs/dbraw/zinc/97/78/06/990977806.db2.gz WDSMPGJGBJXBDI-DLBZAZTESA-N 2 0 409.644 3.559 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932750 991068621 /nfs/dbraw/zinc/06/86/21/991068621.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000465959052 991101726 /nfs/dbraw/zinc/10/17/26/991101726.db2.gz RYTJBLYUURRTEP-QHCPKHFHSA-N 2 0 400.611 3.806 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466079415 991254329 /nfs/dbraw/zinc/25/43/29/991254329.db2.gz OWXHAXHIBKJWBA-FPOVZHCZSA-N 2 0 406.640 3.894 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1cccs1 ZINC000466079040 991254576 /nfs/dbraw/zinc/25/45/76/991254576.db2.gz OHUJHMBPZSHIGI-SBHAEUEKSA-N 2 0 404.624 3.791 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466088748 991267945 /nfs/dbraw/zinc/26/79/45/991267945.db2.gz BQRVKZMFBBGABF-QHCPKHFHSA-N 2 0 400.611 3.947 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000466532431 991832434 /nfs/dbraw/zinc/83/24/34/991832434.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 2 0 420.601 3.813 20 0 HHADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466928801 992241083 /nfs/dbraw/zinc/24/10/83/992241083.db2.gz IVYMPDOEFTWVKI-JOCHJYFZSA-N 2 0 418.622 3.609 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000467007552 992316116 /nfs/dbraw/zinc/31/61/16/992316116.db2.gz SXCHVJPHHFEJDZ-UHFFFAOYSA-N 2 0 414.619 3.564 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467010864 992318489 /nfs/dbraw/zinc/31/84/89/992318489.db2.gz NSTJPUUBWDZUHO-HXUWFJFHSA-N 2 0 408.590 3.816 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000467086517 992391784 /nfs/dbraw/zinc/39/17/84/992391784.db2.gz UVAUSKFLYBGBSB-OFVILXPXSA-N 2 0 422.617 3.985 20 0 HHADRP CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000467087579 992393988 /nfs/dbraw/zinc/39/39/88/992393988.db2.gz ZRDVMKAYEOPOJO-XMMPIXPASA-N 2 0 408.590 3.597 20 0 HHADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000467203671 992528825 /nfs/dbraw/zinc/52/88/25/992528825.db2.gz WXTJKIIHUUJYTL-RTWAWAEBSA-N 2 0 423.601 3.982 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347287 992667561 /nfs/dbraw/zinc/66/75/61/992667561.db2.gz NVRWYAAFKBQVON-DEOSSOPVSA-N 2 0 413.537 3.951 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000467354625 992672859 /nfs/dbraw/zinc/67/28/59/992672859.db2.gz NDBXOQVHSAPDSM-TZRRMPRUSA-N 2 0 420.601 3.903 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467418981 992720585 /nfs/dbraw/zinc/72/05/85/992720585.db2.gz LSXMOOIGLLOXTL-NRFANRHFSA-N 2 0 424.427 3.534 20 0 HHADRP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472293780 993308663 /nfs/dbraw/zinc/30/86/63/993308663.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 2 0 420.601 3.815 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000472319215 993330236 /nfs/dbraw/zinc/33/02/36/993330236.db2.gz UHVNQOKJJACOEK-LOSJGSFVSA-N 2 0 420.601 3.672 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714893 993583835 /nfs/dbraw/zinc/58/38/35/993583835.db2.gz NSSCIPQNQBDOHU-JOCHJYFZSA-N 2 0 422.617 3.512 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)c1 ZINC000480741789 993608754 /nfs/dbraw/zinc/60/87/54/993608754.db2.gz ALLLCAVAWPWUBG-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745542 993612740 /nfs/dbraw/zinc/61/27/40/993612740.db2.gz CERROHHZRQORDU-IBGZPJMESA-N 2 0 415.603 3.918 20 0 HHADRP Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000480773162 993638424 /nfs/dbraw/zinc/63/84/24/993638424.db2.gz IGLTZYASCLRORB-PXDATVDWSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[N@@H+]1C ZINC000480781101 993648264 /nfs/dbraw/zinc/64/82/64/993648264.db2.gz SPUBOKNTBMTCLB-AZUAARDMSA-N 3 0 412.544 3.680 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781024 993648528 /nfs/dbraw/zinc/64/85/28/993648528.db2.gz PYJAOLCKPIQLPI-ATIYNZHBSA-N 2 0 422.617 3.553 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906479 993762916 /nfs/dbraw/zinc/76/29/16/993762916.db2.gz BMDVODFWANFAOQ-DFCKQENNSA-N 2 0 407.602 3.869 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906481 993763477 /nfs/dbraw/zinc/76/34/77/993763477.db2.gz BMDVODFWANFAOQ-RCXJIHSJSA-N 2 0 407.602 3.869 20 0 HHADRP CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000481019079 993861681 /nfs/dbraw/zinc/86/16/81/993861681.db2.gz SPXNEMARJLEZDP-HXUWFJFHSA-N 2 0 407.649 3.782 20 0 HHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000481303009 994118952 /nfs/dbraw/zinc/11/89/52/994118952.db2.gz AWZMAXIPUFRTRQ-OAQYLSRUSA-N 2 0 408.590 3.894 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000481306992 994123337 /nfs/dbraw/zinc/12/33/37/994123337.db2.gz NASGJIDKDTTWNS-FDDCHVKYSA-N 2 0 409.565 3.656 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321912 994141387 /nfs/dbraw/zinc/14/13/87/994141387.db2.gz YOQXJXQYJVHTLQ-LGGPFLRQSA-N 2 0 413.631 3.673 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539120 994370903 /nfs/dbraw/zinc/37/09/03/994370903.db2.gz YESLOLNDKQKKNC-MBSDFSHPSA-N 2 0 411.546 3.595 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000473519943 994374763 /nfs/dbraw/zinc/37/47/63/994374763.db2.gz BSKSEWDZFRODJL-UHFFFAOYSA-N 2 0 409.496 3.818 20 0 HHADRP CC1(C)CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c2ccccc21 ZINC000481677677 994536864 /nfs/dbraw/zinc/53/68/64/994536864.db2.gz LLMYZXGPTPURCP-UGKGYDQZSA-N 2 0 421.589 3.684 20 0 HHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1S(C)(=O)=O ZINC000481714853 994575913 /nfs/dbraw/zinc/57/59/13/994575913.db2.gz HSGBQYLIALEGBZ-INIZCTEOSA-N 2 0 422.616 3.723 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473816150 994742915 /nfs/dbraw/zinc/74/29/15/994742915.db2.gz HADWEQAVELZKTO-UHFFFAOYSA-N 2 0 423.605 3.944 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1 ZINC000473831489 994762635 /nfs/dbraw/zinc/76/26/35/994762635.db2.gz SIRMYQAKYDKOAQ-UHFFFAOYSA-N 2 0 423.605 3.992 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481907030 994778713 /nfs/dbraw/zinc/77/87/13/994778713.db2.gz GRCXKAQINAAHDC-JWQCQUIFSA-N 2 0 420.601 3.944 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(C[NH+](C)C)c3)CC[N@@H+]2C2CC2)c1 ZINC000481924364 994796444 /nfs/dbraw/zinc/79/64/44/994796444.db2.gz PLEXERXCFTYFSM-GOTSBHOMSA-N 2 0 408.546 3.856 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000473881341 994828405 /nfs/dbraw/zinc/82/84/05/994828405.db2.gz CFBAVGVKWSHPND-OSZJIOELSA-N 2 0 414.619 3.807 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000473889074 994839180 /nfs/dbraw/zinc/83/91/80/994839180.db2.gz ZWQURZLICPTROC-YPAWHYETSA-N 2 0 414.638 3.954 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000481983077 994880164 /nfs/dbraw/zinc/88/01/64/994880164.db2.gz PZYHNVXXVKITLN-UHFFFAOYSA-N 2 0 408.590 3.748 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000473962924 994944441 /nfs/dbraw/zinc/94/44/41/994944441.db2.gz HEORZWNXYJKURW-PABCKOPISA-N 2 0 400.611 3.563 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000474027686 995019113 /nfs/dbraw/zinc/01/91/13/995019113.db2.gz BUZZEURXYTXNMW-WOJBJXKFSA-N 2 0 400.611 3.564 20 0 HHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000482113126 995060421 /nfs/dbraw/zinc/06/04/21/995060421.db2.gz JAPPERHAPJMTAZ-SFHVURJKSA-N 2 0 404.505 3.854 20 0 HHADRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1OC(F)F ZINC000482117564 995064624 /nfs/dbraw/zinc/06/46/24/995064624.db2.gz CARHVULISROONY-FQEVSTJZSA-N 2 0 404.505 3.936 20 0 HHADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482122918 995071996 /nfs/dbraw/zinc/07/19/96/995071996.db2.gz QWLQUENNCUPGHQ-SFHVURJKSA-N 2 0 422.495 3.886 20 0 HHADRP COc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1SC ZINC000482124928 995073889 /nfs/dbraw/zinc/07/38/89/995073889.db2.gz WLVOKNDSEPNHKG-SFHVURJKSA-N 2 0 400.592 3.675 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1SC ZINC000482124925 995073957 /nfs/dbraw/zinc/07/39/57/995073957.db2.gz WLVOKNDSEPNHKG-GOSISDBHSA-N 2 0 400.592 3.675 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000482235035 995218107 /nfs/dbraw/zinc/21/81/07/995218107.db2.gz PLOMCSOXFVXOAV-FQEVSTJZSA-N 2 0 401.938 3.635 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1SC ZINC000482253615 995232116 /nfs/dbraw/zinc/23/21/16/995232116.db2.gz GTSARMQGTDJNAT-INIZCTEOSA-N 2 0 401.576 3.559 20 0 HHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000482342982 995321907 /nfs/dbraw/zinc/32/19/07/995321907.db2.gz GIDVXQFNPUWGBG-QGZVFWFLSA-N 2 0 414.331 3.826 20 0 HHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000474465939 995428128 /nfs/dbraw/zinc/42/81/28/995428128.db2.gz BAKSSMOTSMQNNH-WOJBJXKFSA-N 2 0 411.590 3.733 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436146 995428516 /nfs/dbraw/zinc/42/85/16/995428516.db2.gz IPKNQDIDROLMGE-FPOVZHCZSA-N 2 0 415.603 3.663 20 0 HHADRP COc1ccc2cc([C@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)ccc2c1 ZINC000482437357 995430889 /nfs/dbraw/zinc/43/08/89/995430889.db2.gz DHHIINBMSCFUPC-FQEVSTJZSA-N 2 0 419.573 3.891 20 0 HHADRP Clc1cccc2c1SCC[C@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482437298 995430964 /nfs/dbraw/zinc/43/09/64/995430964.db2.gz DDZGBGFPWAGDHL-LJQANCHMSA-N 2 0 418.010 3.859 20 0 HHADRP FC(F)(F)Oc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1Br ZINC000474472369 995432940 /nfs/dbraw/zinc/43/29/40/995432940.db2.gz COPPLXPEBBJKEO-UHFFFAOYSA-N 2 0 411.262 3.550 20 0 HHADRP Clc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(c3ncccn3)CC1)CCS2 ZINC000482456840 995458164 /nfs/dbraw/zinc/45/81/64/995458164.db2.gz PKOPUTICNRYAEF-LJQANCHMSA-N 2 0 418.010 3.859 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000474517042 995480807 /nfs/dbraw/zinc/48/08/07/995480807.db2.gz PDNQIYSIVPTABG-JSRBNTPPSA-N 2 0 412.622 3.803 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000482508944 995519262 /nfs/dbraw/zinc/51/92/62/995519262.db2.gz KHZWPAJWKPQMJH-RTBURBONSA-N 2 0 400.636 3.967 20 0 HHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000482513890 995524618 /nfs/dbraw/zinc/52/46/18/995524618.db2.gz UEHAREJSJPGEHM-LGPLSSKUSA-N 2 0 423.601 3.932 20 0 HHADRP Fc1ccc(-n2nccc2C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000474598846 995556393 /nfs/dbraw/zinc/55/63/93/995556393.db2.gz JZMYBKPKWAMOCU-UHFFFAOYSA-N 2 0 407.537 3.703 20 0 HHADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482555553 995562555 /nfs/dbraw/zinc/56/25/55/995562555.db2.gz ZFXKJTMXWLZLKS-NRFANRHFSA-N 2 0 421.589 3.592 20 0 HHADRP COCCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000482570121 995574791 /nfs/dbraw/zinc/57/47/91/995574791.db2.gz SMILQGXODFGALX-FQEVSTJZSA-N 2 0 412.416 3.534 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000482587140 995589901 /nfs/dbraw/zinc/58/99/01/995589901.db2.gz XLCYJDGIHWOMAF-CQOQZXRMSA-N 2 0 410.606 3.699 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000482610935 995608661 /nfs/dbraw/zinc/60/86/61/995608661.db2.gz ZEDCPGBTOYVYQF-QGZVFWFLSA-N 2 0 404.002 3.549 20 0 HHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631656 995625551 /nfs/dbraw/zinc/62/55/51/995625551.db2.gz OEJPZPVRRUNVIU-XUZZJYLKSA-N 2 0 407.558 3.560 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)c2)C1 ZINC000482636036 995631170 /nfs/dbraw/zinc/63/11/70/995631170.db2.gz LIPGILONEZTONQ-NQIIRXRSSA-N 2 0 413.562 3.850 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC(F)F ZINC000482653342 995646965 /nfs/dbraw/zinc/64/69/65/995646965.db2.gz WZTUWKKUECYLQR-VQIMIIECSA-N 2 0 417.500 3.836 20 0 HHADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482658439 995651647 /nfs/dbraw/zinc/65/16/47/995651647.db2.gz QLTHSOYTIULIRN-LSDHHAIUSA-N 2 0 410.393 3.774 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000474714051 995652851 /nfs/dbraw/zinc/65/28/51/995652851.db2.gz YXUPNHPQMUIIRL-RYLXDESZSA-N 2 0 405.558 3.596 20 0 HHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000474728353 995663481 /nfs/dbraw/zinc/66/34/81/995663481.db2.gz MYCLIGJGFYBRHH-OALUTQOASA-N 2 0 401.986 3.814 20 0 HHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1OC ZINC000474824327 995729611 /nfs/dbraw/zinc/72/96/11/995729611.db2.gz ZBPIQHBLOVAKBI-PMACEKPBSA-N 2 0 403.611 3.736 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474883717 995776613 /nfs/dbraw/zinc/77/66/13/995776613.db2.gz AYIOFEWZOLINRV-JCGIZDLHSA-N 2 0 405.995 3.975 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)CC2)oc1C ZINC000482870837 995806237 /nfs/dbraw/zinc/80/62/37/995806237.db2.gz QBMKKGMIHPOEGF-GOSISDBHSA-N 2 0 410.562 3.981 20 0 HHADRP CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475001702 995858219 /nfs/dbraw/zinc/85/82/19/995858219.db2.gz XJBGQPFJKXNNEJ-QFIPXVFZSA-N 2 0 410.562 3.755 20 0 HHADRP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475006868 995863340 /nfs/dbraw/zinc/86/33/40/995863340.db2.gz AIRGRGOJXUALKV-FCHUYYIVSA-N 2 0 410.562 3.723 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475016357 995872608 /nfs/dbraw/zinc/87/26/08/995872608.db2.gz ONAJHEFQXZQPCJ-DEOSSOPVSA-N 2 0 408.590 3.944 20 0 HHADRP CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475034139 995883705 /nfs/dbraw/zinc/88/37/05/995883705.db2.gz USSKDDFCZOMUOW-UXHICEINSA-N 2 0 400.592 3.657 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175796 995973260 /nfs/dbraw/zinc/97/32/60/995973260.db2.gz RTNSJARQKBBXEC-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP CCN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475177582 995974753 /nfs/dbraw/zinc/97/47/53/995974753.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 2 0 400.611 3.947 20 0 HHADRP O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483120004 995987955 /nfs/dbraw/zinc/98/79/55/995987955.db2.gz SSZPGUXHQPQVEU-FQEVSTJZSA-N 2 0 413.562 3.803 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000483136105 995996346 /nfs/dbraw/zinc/99/63/46/995996346.db2.gz HKCHHQSWWYVQRI-CQSZACIVSA-N 2 0 408.801 3.688 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266041 996033787 /nfs/dbraw/zinc/03/37/87/996033787.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 2 0 420.601 3.955 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000483231810 996050488 /nfs/dbraw/zinc/05/04/88/996050488.db2.gz GCNFIBPUNIIQTI-OALUTQOASA-N 2 0 402.583 3.712 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000483231812 996050624 /nfs/dbraw/zinc/05/06/24/996050624.db2.gz GCNFIBPUNIIQTI-RBUKOAKNSA-N 2 0 402.583 3.712 20 0 HHADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475307988 996059167 /nfs/dbraw/zinc/05/91/67/996059167.db2.gz JXKOOYZMNFYIKE-OOEPIQFGSA-N 2 0 410.606 3.701 20 0 HHADRP CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475321837 996069703 /nfs/dbraw/zinc/06/97/03/996069703.db2.gz MBJULHGQXYPLLJ-QHCPKHFHSA-N 2 0 409.599 3.582 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495446 996217379 /nfs/dbraw/zinc/21/73/79/996217379.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 2 0 424.585 3.559 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495445 996217495 /nfs/dbraw/zinc/21/74/95/996217495.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 2 0 424.585 3.559 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483711351 996343131 /nfs/dbraw/zinc/34/31/31/996343131.db2.gz NOUKQDYMCJUKKT-JTAQYXEDSA-N 2 0 400.611 3.933 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cc(-c2ccccc2)ns1 ZINC000475805127 996382720 /nfs/dbraw/zinc/38/27/20/996382720.db2.gz INRABPLDLFAIKH-UHFFFAOYSA-N 2 0 422.558 3.539 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000483801223 996396424 /nfs/dbraw/zinc/39/64/24/996396424.db2.gz DRVNICZJLLMURP-UTKZUKDTSA-N 2 0 404.624 3.837 20 0 HHADRP COc1cccc([C@H]2[C@H](NC(=O)NCc3ccc(C[NH+](C)C)cc3)CC[N@@H+]2C2CC2)c1 ZINC000483937586 996478620 /nfs/dbraw/zinc/47/86/20/996478620.db2.gz HJCSACJKJJIDRG-RPWUZVMVSA-N 2 0 422.573 3.534 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[N@@H+]2C2CC2)c1 ZINC000483972876 996499488 /nfs/dbraw/zinc/49/94/88/996499488.db2.gz IWEVXTSBBZESON-SFTDATJTSA-N 2 0 414.594 3.581 20 0 HHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024147 996527744 /nfs/dbraw/zinc/52/77/44/996527744.db2.gz IEBCPJZQHIZJIL-FPOVZHCZSA-N 2 0 404.574 3.554 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000484024374 996527857 /nfs/dbraw/zinc/52/78/57/996527857.db2.gz IEBCPJZQHIZJIL-TZIWHRDSSA-N 2 0 404.574 3.554 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000476041666 996561898 /nfs/dbraw/zinc/56/18/98/996561898.db2.gz HYKMDXRGTRRNEX-ZCYQVOJMSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000484475998 996795960 /nfs/dbraw/zinc/79/59/60/996795960.db2.gz UCKJMKUWALQEHO-NRFANRHFSA-N 2 0 419.573 3.989 20 0 HHADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493280 996816746 /nfs/dbraw/zinc/81/67/46/996816746.db2.gz BWOSRWMOIDNUNL-KCESLBEFSA-N 2 0 415.603 3.865 20 0 HHADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000484494404 996818310 /nfs/dbraw/zinc/81/83/10/996818310.db2.gz DBOWFVLFTVEABP-QRVBRYPASA-N 2 0 415.603 3.865 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000484504613 996833327 /nfs/dbraw/zinc/83/33/27/996833327.db2.gz URRPYVIYXWMYRE-REWPJTCUSA-N 2 0 409.574 3.511 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CC1 ZINC000476629783 997151252 /nfs/dbraw/zinc/15/12/52/997151252.db2.gz GNXFKPBYWDDTNT-FCHUYYIVSA-N 2 0 410.562 3.626 20 0 HHADRP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000484808423 997163134 /nfs/dbraw/zinc/16/31/34/997163134.db2.gz FCSLTNGBCACJAQ-UHFFFAOYSA-N 2 0 413.562 3.965 20 0 HHADRP CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000476807824 997360538 /nfs/dbraw/zinc/36/05/38/997360538.db2.gz NZFIPLAVUXPTBJ-AZUAARDMSA-N 2 0 420.598 3.610 20 0 HHADRP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476981924 997603008 /nfs/dbraw/zinc/60/30/08/997603008.db2.gz IUEDKVGNCVNKRF-OFNKIYASSA-N 2 0 404.595 3.549 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000485232218 997608955 /nfs/dbraw/zinc/60/89/55/997608955.db2.gz QEAJDNRFKXUBJG-HSZRJFAPSA-N 2 0 412.553 3.640 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000485287352 997685860 /nfs/dbraw/zinc/68/58/60/997685860.db2.gz KJAGNMNWNJMGSH-QEFHDYNCSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000477069421 997717585 /nfs/dbraw/zinc/71/75/85/997717585.db2.gz QVTQVPBVKFZCAZ-JOCHJYFZSA-N 2 0 417.597 3.948 20 0 HHADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485410181 997842333 /nfs/dbraw/zinc/84/23/33/997842333.db2.gz STIOIJGEFOKHCT-WOJBJXKFSA-N 2 0 417.594 3.625 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC[C@H]21 ZINC000485602084 998048767 /nfs/dbraw/zinc/04/87/67/998048767.db2.gz QCJYIKFJOSANML-IFMALSPDSA-N 2 0 419.013 3.678 20 0 HHADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000477377467 998064775 /nfs/dbraw/zinc/06/47/75/998064775.db2.gz GZZURWNSSVKMJC-JTHBVZDNSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2ncsc2c1 ZINC000485820314 998286582 /nfs/dbraw/zinc/28/65/82/998286582.db2.gz YNHCYMRLHQMXDE-KRWDZBQOSA-N 2 0 408.571 3.859 20 0 HHADRP CC(C)N1CCc2nc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)sc2C1 ZINC000486119700 998567612 /nfs/dbraw/zinc/56/76/12/998567612.db2.gz WRTJFCZOSNWVSD-UHFFFAOYSA-N 2 0 418.473 3.680 20 0 HHADRP C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486255350 998678716 /nfs/dbraw/zinc/67/87/16/998678716.db2.gz VDROZJUWGZTSDG-GIWBLDEGSA-N 2 0 400.611 3.851 20 0 HHADRP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486266795 998685203 /nfs/dbraw/zinc/68/52/03/998685203.db2.gz DVQMDWIXEFBCGQ-MQSCRBSSSA-N 2 0 400.611 3.708 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000478045188 998732132 /nfs/dbraw/zinc/73/21/32/998732132.db2.gz WHPDCDQCHPDPSC-QPTUXGOLSA-N 2 0 410.606 3.555 20 0 HHADRP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000486567137 998830189 /nfs/dbraw/zinc/83/01/89/998830189.db2.gz PBFAVNPNZAIKAQ-GCJKJVERSA-N 2 0 406.530 3.957 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1)C1CC1 ZINC000478322289 998887217 /nfs/dbraw/zinc/88/72/17/998887217.db2.gz BDPCINSZSWASPD-UHFFFAOYSA-N 2 0 421.589 3.849 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000478426211 998951475 /nfs/dbraw/zinc/95/14/75/998951475.db2.gz DZJUFMXVTZBPCE-UHFFFAOYSA-N 2 0 424.589 3.564 20 0 HHADRP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486964353 999020531 /nfs/dbraw/zinc/02/05/31/999020531.db2.gz KBPIRQLNOAWNLC-GGAORHGYSA-N 2 0 400.611 3.852 20 0 HHADRP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000487060781 999051079 /nfs/dbraw/zinc/05/10/79/999051079.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 2 0 408.590 3.717 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000478873372 999187240 /nfs/dbraw/zinc/18/72/40/999187240.db2.gz LIEFLLJTSYZEFA-UHFFFAOYSA-N 2 0 400.611 3.867 20 0 HHADRP CCC1(C[NH2+]Cc2c(Br)cnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000487563275 999213868 /nfs/dbraw/zinc/21/38/68/999213868.db2.gz VQUZCXGZDJZKMF-UHFFFAOYSA-N 2 0 405.384 3.965 20 0 HHADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479055214 999270682 /nfs/dbraw/zinc/27/06/82/999270682.db2.gz GWARQDKOTVDLON-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000479330821 999388770 /nfs/dbraw/zinc/38/87/70/999388770.db2.gz MKZLIAXWHUXYOX-LJQANCHMSA-N 2 0 415.603 3.788 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000479332860 999389965 /nfs/dbraw/zinc/38/99/65/999389965.db2.gz VENXMAISJARWQX-LJQANCHMSA-N 2 0 415.603 3.788 20 0 HHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333310 999389986 /nfs/dbraw/zinc/38/99/86/999389986.db2.gz WOKLYUARYXNCKX-UONOGXRCSA-N 2 0 422.422 3.804 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000479334311 999390371 /nfs/dbraw/zinc/39/03/71/999390371.db2.gz IGGAIFYSQWDYQN-UHFFFAOYSA-N 2 0 400.611 3.838 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000488273077 999419162 /nfs/dbraw/zinc/41/91/62/999419162.db2.gz ODMWPPFKXPFMEI-XZOQPEGZSA-N 2 0 414.594 3.537 20 0 HHADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479452874 999424297 /nfs/dbraw/zinc/42/42/97/999424297.db2.gz IKOHPKNNYIWQFB-ZJOUEHCJSA-N 2 0 415.603 3.512 20 0 HHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479556536 999476437 /nfs/dbraw/zinc/47/64/37/999476437.db2.gz QZYMNUMKEXEHLD-IRXDYDNUSA-N 2 0 401.016 3.981 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)c1 ZINC000488421983 999482556 /nfs/dbraw/zinc/48/25/56/999482556.db2.gz STMSGDDCNQTMNK-IBGZPJMESA-N 2 0 416.610 3.549 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000480233317 999752320 /nfs/dbraw/zinc/75/23/20/999752320.db2.gz UZOBICCLVWPEFP-ANKXKSGRSA-N 2 0 400.588 3.884 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(N2CCOCC2)c1 ZINC000480238139 999753280 /nfs/dbraw/zinc/75/32/80/999753280.db2.gz ALWMXJYKIKIAPF-YPAWHYETSA-N 2 0 423.601 3.983 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480252846 999756966 /nfs/dbraw/zinc/75/69/66/999756966.db2.gz FUACAXGVGCWDRX-IBGZPJMESA-N 2 0 415.603 3.774 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)cc1 ZINC000480332379 999773428 /nfs/dbraw/zinc/77/34/28/999773428.db2.gz IIVFEQLVWQONLQ-UHFFFAOYSA-N 2 0 413.468 3.806 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C)c1 ZINC000489520250 999783072 /nfs/dbraw/zinc/78/30/72/999783072.db2.gz CLPPYHMNTAKVCU-FOVJLYNBSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528178 999784786 /nfs/dbraw/zinc/78/47/86/999784786.db2.gz HGMBSHLVSRGCFK-FYYLOGMGSA-N 2 0 400.611 3.852 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000489543521 999788729 /nfs/dbraw/zinc/78/87/29/999788729.db2.gz QTHGWCWLCWDPRB-UHFFFAOYSA-N 2 0 400.611 3.949 20 0 HHADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000480521143 999817398 /nfs/dbraw/zinc/81/73/98/999817398.db2.gz APTDFDSFDBUYOF-JWQCQUIFSA-N 2 0 413.581 3.980 20 0 HHADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000480521146 999817517 /nfs/dbraw/zinc/81/75/17/999817517.db2.gz APTDFDSFDBUYOF-LOSJGSFVSA-N 2 0 413.581 3.980 20 0 HHADRP Cc1c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000480542783 999822427 /nfs/dbraw/zinc/82/24/27/999822427.db2.gz UCCARTVHAVADAL-HTAPYJJXSA-N 2 0 404.002 3.757 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000489773166 999835423 /nfs/dbraw/zinc/83/54/23/999835423.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 2 0 420.601 3.515 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480594723 999836280 /nfs/dbraw/zinc/83/62/80/999836280.db2.gz MNPLWZFHSSBLCQ-NVQXNPDNSA-N 2 0 407.602 3.950 20 0 HHADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000480607160 999839392 /nfs/dbraw/zinc/83/93/92/999839392.db2.gz DLGGHEJAYVGERY-UXHICEINSA-N 2 0 409.640 3.880 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000480609001 999839850 /nfs/dbraw/zinc/83/98/50/999839850.db2.gz IMBOPKNPNGRGIQ-RBUKOAKNSA-N 2 0 415.603 3.820 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489806258 999841930 /nfs/dbraw/zinc/84/19/30/999841930.db2.gz IXRQMCPIICHCON-VWLOTQADSA-N 2 0 422.617 3.844 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000489860438 999850421 /nfs/dbraw/zinc/85/04/21/999850421.db2.gz CMVVTLCOHZZLON-HSZRJFAPSA-N 2 0 412.553 3.734 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489874086 999852937 /nfs/dbraw/zinc/85/29/37/999852937.db2.gz OQRKHIZVICCIFV-QHCPKHFHSA-N 2 0 406.574 3.567 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489895437 999857399 /nfs/dbraw/zinc/85/73/99/999857399.db2.gz BSMGMKKVJHXSCR-OAQYLSRUSA-N 2 0 400.611 3.947 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687019 999859491 /nfs/dbraw/zinc/85/94/91/999859491.db2.gz DACXWWXQUFROMJ-NRFANRHFSA-N 2 0 403.574 3.861 20 0 HHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480708791 999864682 /nfs/dbraw/zinc/86/46/82/999864682.db2.gz WLDFRTMIAYKAMD-GGBSJPMNSA-N 2 0 407.602 3.603 20 0 HHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)CC3 ZINC000490168159 999903545 /nfs/dbraw/zinc/90/35/45/999903545.db2.gz RWXLOODBKCAXSL-HXUWFJFHSA-N 2 0 403.574 3.531 20 0 HHADRP Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000490355640 999943624 /nfs/dbraw/zinc/94/36/24/999943624.db2.gz QSBLKVBTSRJBBF-YSIASYRMSA-N 2 0 403.368 3.536 20 0 HHADRP C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490654857 999989450 /nfs/dbraw/zinc/98/94/50/999989450.db2.gz ZALHIRQLZDCHQD-RDGATRHJSA-N 2 0 407.602 3.750 20 0 HHADRP CCc1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002830 1000032791 /nfs/dbraw/zinc/03/27/91/1000032791.db2.gz CVRACZNWZLRYAM-HSZRJFAPSA-N 2 0 400.588 3.673 20 0 HHADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2Cl)cc1OC ZINC000491033040 1000036974 /nfs/dbraw/zinc/03/69/74/1000036974.db2.gz CTRMUKSORAUDGF-HSZRJFAPSA-N 2 0 418.965 3.741 20 0 HHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000491034114 1000037220 /nfs/dbraw/zinc/03/72/20/1000037220.db2.gz GDZKUZAWSGFBQV-OAQYLSRUSA-N 2 0 403.364 3.832 20 0 HHADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491259899 1000059810 /nfs/dbraw/zinc/05/98/10/1000059810.db2.gz RWGWPWZMMPKXQO-UGKGYDQZSA-N 2 0 424.593 3.667 20 0 HHADRP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491336719 1000066499 /nfs/dbraw/zinc/06/64/99/1000066499.db2.gz WSDNWTAUVJVFJW-UGKGYDQZSA-N 2 0 424.593 3.839 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491432501 1000074674 /nfs/dbraw/zinc/07/46/74/1000074674.db2.gz OHIIEVNSJMYGNX-UHFFFAOYSA-N 2 0 418.611 3.587 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000492043718 1000106459 /nfs/dbraw/zinc/10/64/59/1000106459.db2.gz ODQKYHVPXFCZEC-RBBKRZOGSA-N 2 0 424.589 3.968 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000492659623 1000137354 /nfs/dbraw/zinc/13/73/54/1000137354.db2.gz MUWHQMPCRUEVJU-FQEVSTJZSA-N 2 0 418.585 3.991 20 0 HHADRP O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493499807 1000176335 /nfs/dbraw/zinc/17/63/35/1000176335.db2.gz HAXANSPIZISYHJ-DQEYMECFSA-N 2 0 405.586 3.900 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493499809 1000176367 /nfs/dbraw/zinc/17/63/67/1000176367.db2.gz HAXANSPIZISYHJ-LOSJGSFVSA-N 2 0 405.586 3.900 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Br)cs1 ZINC000493904996 1000207189 /nfs/dbraw/zinc/20/71/89/1000207189.db2.gz GASVINXQLLADGK-ZDUSSCGKSA-N 2 0 410.381 3.653 20 0 HHADRP COc1ccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)C2)cc1 ZINC000504484102 1000228285 /nfs/dbraw/zinc/22/82/85/1000228285.db2.gz PJUBZFGRWGDTJB-QHCPKHFHSA-N 2 0 421.585 3.574 20 0 HHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494060520 1000289003 /nfs/dbraw/zinc/28/90/03/1000289003.db2.gz NYOVXBIHHWVDPG-IBGZPJMESA-N 2 0 404.558 3.769 20 0 HHADRP CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000504736873 1000347889 /nfs/dbraw/zinc/34/78/89/1000347889.db2.gz HGOQUMVMBBBZIA-UHFFFAOYSA-N 2 0 420.601 3.741 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000504914081 1000444912 /nfs/dbraw/zinc/44/49/12/1000444912.db2.gz KKWKRMSYQVZWMY-OAQYLSRUSA-N 2 0 420.601 3.919 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000494442665 1000494421 /nfs/dbraw/zinc/49/44/21/1000494421.db2.gz LJWOLILJRBYRHC-WZONZLPQSA-N 2 0 416.585 3.552 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000494461304 1000504407 /nfs/dbraw/zinc/50/44/07/1000504407.db2.gz NUSNKLIHEIFWHZ-MRXNPFEDSA-N 2 0 418.582 3.582 20 0 HHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494850903 1000694673 /nfs/dbraw/zinc/69/46/73/1000694673.db2.gz NEWHTLAQDDYVOQ-UHFFFAOYSA-N 2 0 415.622 3.619 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494908744 1000724679 /nfs/dbraw/zinc/72/46/79/1000724679.db2.gz LXVPNSKJXZFALS-OAQYLSRUSA-N 2 0 408.590 3.641 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cn2)CC1 ZINC000494922124 1000731466 /nfs/dbraw/zinc/73/14/66/1000731466.db2.gz NNEZHKMEGOUFIY-XXBNENTESA-N 2 0 412.553 3.620 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cn2)CC1 ZINC000494922123 1000731530 /nfs/dbraw/zinc/73/15/30/1000731530.db2.gz NNEZHKMEGOUFIY-WMZHIEFXSA-N 2 0 412.553 3.620 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783845 1001022307 /nfs/dbraw/zinc/02/23/07/1001022307.db2.gz LYYVTECLUOGKRO-INIZCTEOSA-N 2 0 421.582 3.675 20 0 HHADRP Clc1cnn(C2CC[NH+](C/C=C/C[NH+]3CCC(n4cc(Cl)cn4)CC3)CC2)c1 ZINC000506038109 1001181945 /nfs/dbraw/zinc/18/19/45/1001181945.db2.gz YGQCYKGWCXMYEP-OWOJBTEDSA-N 2 0 423.392 3.917 20 0 HHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047831 1001189601 /nfs/dbraw/zinc/18/96/01/1001189601.db2.gz QBCHSCMWWSKBIY-UHFFFAOYSA-N 2 0 405.608 3.562 20 0 HHADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506055263 1001195312 /nfs/dbraw/zinc/19/53/12/1001195312.db2.gz BPSCQQOTLUIMTM-SFHVURJKSA-N 2 0 407.986 3.800 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000506148104 1001248882 /nfs/dbraw/zinc/24/88/82/1001248882.db2.gz OMTADXMSNYBKPV-QFIPXVFZSA-N 2 0 418.589 3.641 20 0 HHADRP COc1ccc(OC(F)F)c(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000497233738 1001282841 /nfs/dbraw/zinc/28/28/41/1001282841.db2.gz ZJAMWBDSKABOQE-OAQYLSRUSA-N 2 0 419.516 3.765 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000497279366 1001286388 /nfs/dbraw/zinc/28/63/88/1001286388.db2.gz YCHOJMHYICCWDW-IBGZPJMESA-N 2 0 414.594 3.699 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000497318708 1001290042 /nfs/dbraw/zinc/29/00/42/1001290042.db2.gz BQUAENVYYVDITH-GOSISDBHSA-N 2 0 409.530 3.908 20 0 HHADRP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497503584 1001406905 /nfs/dbraw/zinc/40/69/05/1001406905.db2.gz LDZLJCCWMKSBMX-WRURNZQNSA-N 2 0 424.511 3.546 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497515096 1001414005 /nfs/dbraw/zinc/41/40/05/1001414005.db2.gz CIZAGTCEVNIYTH-HXUWFJFHSA-N 2 0 406.368 3.749 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594712 1001451540 /nfs/dbraw/zinc/45/15/40/1001451540.db2.gz CNBMSAJGYYORPF-PXNSSMCTSA-N 2 0 424.511 3.578 20 0 HHADRP CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000497597881 1001452811 /nfs/dbraw/zinc/45/28/11/1001452811.db2.gz HKAYSJORZIOTFC-QHCPKHFHSA-N 2 0 409.578 3.632 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccco1 ZINC000506623871 1001474867 /nfs/dbraw/zinc/47/48/67/1001474867.db2.gz FCEDXMNFYGVGPJ-QHAWAJNXSA-N 2 0 404.599 3.959 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000497701144 1001490299 /nfs/dbraw/zinc/49/02/99/1001490299.db2.gz ILEHSHVAZILGGO-JYAXBFRTSA-N 2 0 419.585 3.986 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)ccc1F ZINC000506738485 1001509907 /nfs/dbraw/zinc/50/99/07/1001509907.db2.gz NVEFYDMOOMXUSG-UHFFFAOYSA-N 2 0 404.574 3.685 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793699 1001533471 /nfs/dbraw/zinc/53/34/71/1001533471.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 2 0 400.611 3.803 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497852008 1001537273 /nfs/dbraw/zinc/53/72/73/1001537273.db2.gz HGOLNRFBBMYGHB-HXUWFJFHSA-N 2 0 406.368 3.749 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497866564 1001542049 /nfs/dbraw/zinc/54/20/49/1001542049.db2.gz FLKFDPOOYXNLKV-OXJNMPFZSA-N 2 0 406.368 3.747 20 0 HHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000506926748 1001597409 /nfs/dbraw/zinc/59/74/09/1001597409.db2.gz GRTNPOGFVWTHCM-UHFFFAOYSA-N 2 0 420.557 3.985 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH+]3CCCC[C@@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000498114141 1001646665 /nfs/dbraw/zinc/64/66/65/1001646665.db2.gz LNXVNUNFPFQFLJ-CDNPAEQRSA-N 2 0 414.594 3.537 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000498126619 1001652947 /nfs/dbraw/zinc/65/29/47/1001652947.db2.gz KZOFLSFLAPEVFQ-ZJSXRUAMSA-N 2 0 406.574 3.651 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273535 1001747649 /nfs/dbraw/zinc/74/76/49/1001747649.db2.gz CSZYWEGCWSKZOF-DEPWHIHDSA-N 2 0 422.976 3.598 20 0 HHADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303953 1001984957 /nfs/dbraw/zinc/98/49/57/1001984957.db2.gz KGLCLOHFRGWBQX-SELNLUPBSA-N 2 0 401.599 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000507383260 1002038860 /nfs/dbraw/zinc/03/88/60/1002038860.db2.gz SJMCWZXNZQVDOW-SXWKCWPCSA-N 2 0 400.611 3.696 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694760 1002081283 /nfs/dbraw/zinc/08/12/83/1002081283.db2.gz MUJJAMOIVZRVSW-DHLKQENFSA-N 2 0 422.617 3.979 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CN1Cc1ccccc1 ZINC000507457376 1002081679 /nfs/dbraw/zinc/08/16/79/1002081679.db2.gz BHIYBSLPXXPGNY-ZGFBMJKBSA-N 2 0 403.570 3.535 20 0 HHADRP O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000507457374 1002082223 /nfs/dbraw/zinc/08/22/23/1002082223.db2.gz BHIYBSLPXXPGNY-ZFFYZDHPSA-N 2 0 403.570 3.535 20 0 HHADRP O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507510911 1002121284 /nfs/dbraw/zinc/12/12/84/1002121284.db2.gz NNJOIVNWZDXVBS-JIMJEQGWSA-N 2 0 413.565 3.897 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)c(OCC)c2)CC1 ZINC000507594024 1002200145 /nfs/dbraw/zinc/20/01/45/1002200145.db2.gz VKJSQHZZRQZMMT-UHFFFAOYSA-N 2 0 416.610 3.676 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000507601868 1002208476 /nfs/dbraw/zinc/20/84/76/1002208476.db2.gz AQHBMDBURYNSAF-LAUBAEHRSA-N 2 0 423.536 3.690 20 0 HHADRP CC[C@H](C)Oc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498829510 1002213683 /nfs/dbraw/zinc/21/36/83/1002213683.db2.gz DHLZQMDITRVDHH-IBGZPJMESA-N 2 0 411.550 3.593 20 0 HHADRP COc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(SC)cc1OC ZINC000507724010 1002310663 /nfs/dbraw/zinc/31/06/63/1002310663.db2.gz MTZKJEHVCJSUIW-UHFFFAOYSA-N 2 0 408.608 3.750 20 0 HHADRP COc1ccccc1C(C)(C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000507821306 1002366823 /nfs/dbraw/zinc/36/68/23/1002366823.db2.gz DLALDWKLJRXANN-UHFFFAOYSA-N 2 0 409.574 3.609 20 0 HHADRP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000507878431 1002410356 /nfs/dbraw/zinc/41/03/56/1002410356.db2.gz OPOBZTIGYXUVDD-UHFFFAOYSA-N 2 0 402.579 3.633 20 0 HHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000507896108 1002429653 /nfs/dbraw/zinc/42/96/53/1002429653.db2.gz NLMKQXRQQCSEFC-UHFFFAOYSA-N 2 0 411.512 3.910 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC000508037637 1002559128 /nfs/dbraw/zinc/55/91/28/1002559128.db2.gz IXZJQZPZERKCLR-UHFFFAOYSA-N 2 0 420.601 3.567 20 0 HHADRP O=C1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC000499187964 1002577407 /nfs/dbraw/zinc/57/74/07/1002577407.db2.gz FPZKALXSGSWIDJ-ZKGSSEMHSA-N 2 0 403.570 3.820 20 0 HHADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000508089606 1002612103 /nfs/dbraw/zinc/61/21/03/1002612103.db2.gz OZTVBXKOBZDOLL-UHFFFAOYSA-N 2 0 415.647 3.964 20 0 HHADRP CC(C)(C)C(=O)N1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000499239748 1002631042 /nfs/dbraw/zinc/63/10/42/1002631042.db2.gz OVHLNLGFROAUCS-UHFFFAOYSA-N 2 0 415.622 3.684 20 0 HHADRP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499578753 1002955878 /nfs/dbraw/zinc/95/58/78/1002955878.db2.gz YNGIXGKGBVWAKE-UXHICEINSA-N 2 0 410.562 3.754 20 0 HHADRP C[NH+]1CCC(C)(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000508513007 1002995092 /nfs/dbraw/zinc/99/50/92/1002995092.db2.gz QCHNTRLHGCZLKV-UHFFFAOYSA-N 2 0 414.638 3.752 20 0 HHADRP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690310 1003127882 /nfs/dbraw/zinc/12/78/82/1003127882.db2.gz JNIFAZFASUOBDH-HYBUGGRVSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508698066 1003136279 /nfs/dbraw/zinc/13/62/79/1003136279.db2.gz NLTDMMLIAZHKGC-KWOQKUFVSA-N 2 0 407.558 3.804 20 0 HHADRP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508699970 1003137811 /nfs/dbraw/zinc/13/78/11/1003137811.db2.gz PKRGUNZVTGYIRH-RBBKRZOGSA-N 2 0 422.569 3.964 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700486 1003138087 /nfs/dbraw/zinc/13/80/87/1003138087.db2.gz QTAGLROPBVQURF-BUUDZMLXSA-N 2 0 421.585 3.596 20 0 HHADRP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000499884565 1003220443 /nfs/dbraw/zinc/22/04/43/1003220443.db2.gz CUOJBKAYTCAVPQ-WOJBJXKFSA-N 2 0 424.593 3.585 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508853330 1003273225 /nfs/dbraw/zinc/27/32/25/1003273225.db2.gz QUWOPQQSLKVYCV-XXBNENTESA-N 2 0 409.578 3.560 20 0 HHADRP C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852680 1003273366 /nfs/dbraw/zinc/27/33/66/1003273366.db2.gz MWVIOGMYMUKUQS-RDPSFJRHSA-N 2 0 408.590 3.984 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852681 1003273507 /nfs/dbraw/zinc/27/35/07/1003273507.db2.gz MWVIOGMYMUKUQS-YKSBVNFPSA-N 2 0 408.590 3.984 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499996272 1003314059 /nfs/dbraw/zinc/31/40/59/1003314059.db2.gz BFAQWEJJQQIYRK-IBGZPJMESA-N 2 0 406.619 3.542 20 0 HHADRP C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508897650 1003328775 /nfs/dbraw/zinc/32/87/75/1003328775.db2.gz OHIDZQXMIVMMGF-PMWMKWCKSA-N 2 0 420.601 3.985 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508908401 1003348535 /nfs/dbraw/zinc/34/85/35/1003348535.db2.gz SIEJLVVCMLKVQS-XJUOHMSHSA-N 2 0 400.611 3.975 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114966 1003476679 /nfs/dbraw/zinc/47/66/79/1003476679.db2.gz YTJPGFJHBREALZ-NMMYMHLASA-N 2 0 423.605 3.906 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccs1 ZINC000509131929 1003575187 /nfs/dbraw/zinc/57/51/87/1003575187.db2.gz MBGOEUAMHYMKOC-TZIWHRDSSA-N 2 0 414.619 3.951 20 0 HHADRP CCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000500601781 1003817016 /nfs/dbraw/zinc/81/70/16/1003817016.db2.gz MUSKZOWCIHAVMO-GMAHTHKFSA-N 2 0 412.622 3.947 20 0 HHADRP Cn1nccc1-c1ccccc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000511908998 1003884194 /nfs/dbraw/zinc/88/41/94/1003884194.db2.gz BZPGTPQJSJHLBZ-UHFFFAOYSA-N 2 0 404.558 3.894 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000500689330 1003896693 /nfs/dbraw/zinc/89/66/93/1003896693.db2.gz RXIBCKMNDVOIMF-BGYRXZFFSA-N 2 0 400.611 3.648 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000500754889 1003939098 /nfs/dbraw/zinc/93/90/98/1003939098.db2.gz POPZFIRPQVVAQK-OAQYLSRUSA-N 2 0 413.566 3.616 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000500818603 1003977761 /nfs/dbraw/zinc/97/77/61/1003977761.db2.gz QJKCMYJCCQTFAD-JOCHJYFZSA-N 2 0 403.615 3.696 20 0 HHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ncc(I)s3)CC2)CC1 ZINC000512055010 1003986720 /nfs/dbraw/zinc/98/67/20/1003986720.db2.gz WMLCHPLQBCOULK-UHFFFAOYSA-N 2 0 419.376 3.880 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500830048 1003988186 /nfs/dbraw/zinc/98/81/86/1003988186.db2.gz FQJORNPGLOREDH-FQEVSTJZSA-N 2 0 401.599 3.594 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)[NH+]2CCCC2)c1 ZINC000500834680 1003990757 /nfs/dbraw/zinc/99/07/57/1003990757.db2.gz RWCDIRGIEYRTIY-QHCPKHFHSA-N 2 0 416.610 3.596 20 0 HHADRP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000509686773 1004030364 /nfs/dbraw/zinc/03/03/64/1004030364.db2.gz SJCQEOCFZUKDHC-DEOSSOPVSA-N 2 0 422.598 3.595 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512155931 1004063625 /nfs/dbraw/zinc/06/36/25/1004063625.db2.gz LGEULARJFZARGR-FCHUYYIVSA-N 2 0 400.611 3.707 20 0 HHADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C2)CC1 ZINC000512163674 1004069256 /nfs/dbraw/zinc/06/92/56/1004069256.db2.gz GZDZRCLARSGOPN-XZOQPEGZSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179618 1004081938 /nfs/dbraw/zinc/08/19/38/1004081938.db2.gz LWNIIRKMQJNJEU-SFTDATJTSA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179615 1004082151 /nfs/dbraw/zinc/08/21/51/1004082151.db2.gz LWNIIRKMQJNJEU-OYRHEFFESA-N 2 0 409.574 3.982 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)C[C@@H](C)O1 ZINC000512180537 1004082671 /nfs/dbraw/zinc/08/26/71/1004082671.db2.gz ANSROLWCIYRSKA-NHCUHLMSSA-N 2 0 409.574 3.982 20 0 HHADRP CSc1cc2c(cc1C[NH+]1CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)OCCO2 ZINC000512182484 1004084669 /nfs/dbraw/zinc/08/46/69/1004084669.db2.gz RYOLGMMPHBQYTE-CALCHBBNSA-N 2 0 406.592 3.501 20 0 HHADRP CSc1cc2c(cc1C[NH+]1CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC1)OCCO2 ZINC000512182490 1004085228 /nfs/dbraw/zinc/08/52/28/1004085228.db2.gz RYOLGMMPHBQYTE-IRXDYDNUSA-N 2 0 406.592 3.501 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000512188271 1004089220 /nfs/dbraw/zinc/08/92/20/1004089220.db2.gz XSGLKHZPBVJAGY-HOTGVXAUSA-N 2 0 404.505 3.676 20 0 HHADRP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029653 1004133456 /nfs/dbraw/zinc/13/34/56/1004133456.db2.gz IVBYIXHQCDDAFF-LJQANCHMSA-N 2 0 424.372 3.977 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000501036025 1004138895 /nfs/dbraw/zinc/13/88/95/1004138895.db2.gz MDXAKCCWEKOPCQ-UHFFFAOYSA-N 2 0 401.595 3.966 20 0 HHADRP CSc1ccc(CN(C)C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501037603 1004141154 /nfs/dbraw/zinc/14/11/54/1004141154.db2.gz HIGYQNYTARBCNK-UHFFFAOYSA-N 2 0 412.603 3.610 20 0 HHADRP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501073733 1004176769 /nfs/dbraw/zinc/17/67/69/1004176769.db2.gz FZBDFHGJSNHHEN-XMMPIXPASA-N 2 0 406.574 3.814 20 0 HHADRP c1ccc(C[NH+]2CC[C@@]3(CCN(C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)C3)C2)cc1 ZINC000512284797 1004187242 /nfs/dbraw/zinc/18/72/42/1004187242.db2.gz DKCSGTMHDXJYSI-RRPNLBNLSA-N 2 0 419.613 3.876 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501082717 1004187535 /nfs/dbraw/zinc/18/75/35/1004187535.db2.gz AKZOTTLNEMPTHZ-NQIIRXRSSA-N 2 0 424.992 3.989 20 0 HHADRP CN(C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000501093675 1004198490 /nfs/dbraw/zinc/19/84/90/1004198490.db2.gz ZGEFRHOSMSTXEZ-QKZVEHONSA-N 2 0 422.976 3.739 20 0 HHADRP CC(C)CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339706 1004227870 /nfs/dbraw/zinc/22/78/70/1004227870.db2.gz YZLQUDHXXOZQPS-OAQYLSRUSA-N 2 0 407.549 3.723 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172981 1004253754 /nfs/dbraw/zinc/25/37/54/1004253754.db2.gz JNSYTBJDUSLUMB-SFTDATJTSA-N 2 0 400.592 3.705 20 0 HHADRP CN(c1ccccc1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000510022727 1004271450 /nfs/dbraw/zinc/27/14/50/1004271450.db2.gz GDUHUGMJMLIEPX-QFIPXVFZSA-N 2 0 421.589 3.613 20 0 HHADRP Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000501210670 1004282004 /nfs/dbraw/zinc/28/20/04/1004282004.db2.gz SOHWBTAFCOYQTI-UHFFFAOYSA-N 2 0 402.583 3.712 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512423919 1004289573 /nfs/dbraw/zinc/28/95/73/1004289573.db2.gz LNBNMKPJVQIVMC-YFNKSVMNSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424414 1004290132 /nfs/dbraw/zinc/29/01/32/1004290132.db2.gz QEZCTSWPITYHFM-AGILITTLSA-N 2 0 412.622 3.660 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000501222267 1004291947 /nfs/dbraw/zinc/29/19/47/1004291947.db2.gz QYXBAFSZZGQICI-QHCPKHFHSA-N 2 0 400.611 3.599 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388899 1004384888 /nfs/dbraw/zinc/38/48/88/1004384888.db2.gz VLDFUBDMDRFMSI-BLKABHOGSA-N 2 0 412.578 3.919 20 0 HHADRP C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000501397531 1004391571 /nfs/dbraw/zinc/39/15/71/1004391571.db2.gz UOGYBURNJQBPCE-UHFFFAOYSA-N 2 0 418.651 3.864 20 0 HHADRP O[C@]1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611230 1004424428 /nfs/dbraw/zinc/42/44/28/1004424428.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 2 0 419.613 3.514 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501492947 1004464080 /nfs/dbraw/zinc/46/40/80/1004464080.db2.gz XTNZHITZKXITJE-ISKFKSNPSA-N 2 0 406.574 3.723 20 0 HHADRP COC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653966 1004466463 /nfs/dbraw/zinc/46/64/63/1004466463.db2.gz IGSFBTJYMCQLSB-OEMFJLHTSA-N 2 0 408.542 3.629 20 0 HHADRP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512667238 1004476894 /nfs/dbraw/zinc/47/68/94/1004476894.db2.gz OMXPWYFXHYMMOK-KMDXXIMOSA-N 2 0 412.599 3.622 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C)N1CC[NH+](C)CC1 ZINC000512666636 1004477239 /nfs/dbraw/zinc/47/72/39/1004477239.db2.gz LTLFXXGAAWATHX-ZUUKYVLSSA-N 2 0 411.634 3.842 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510324708 1004481949 /nfs/dbraw/zinc/48/19/49/1004481949.db2.gz RMHNGVPETMNCSV-NZQKXSOJSA-N 2 0 400.611 3.708 20 0 HHADRP COCC[N@H+](C)CCCC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000501646356 1004573315 /nfs/dbraw/zinc/57/33/15/1004573315.db2.gz LAYCPMCUPGBMAK-UHFFFAOYSA-N 2 0 415.578 3.705 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512825820 1004584407 /nfs/dbraw/zinc/58/44/07/1004584407.db2.gz GYOJNRKVAPDNPR-WOJBJXKFSA-N 2 0 424.511 3.550 20 0 HHADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000512839059 1004599449 /nfs/dbraw/zinc/59/94/49/1004599449.db2.gz QSJMWBQRMBBUJR-UXHICEINSA-N 2 0 424.511 3.550 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000501753907 1004682803 /nfs/dbraw/zinc/68/28/03/1004682803.db2.gz DCNWKUHNJWFPPO-UHFFFAOYSA-N 2 0 408.590 3.776 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000501756942 1004688293 /nfs/dbraw/zinc/68/82/93/1004688293.db2.gz TXAHHGUMEADSED-XMMPIXPASA-N 2 0 406.574 3.571 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501823783 1004759239 /nfs/dbraw/zinc/75/92/39/1004759239.db2.gz GQMUHIXPHVUECL-XJUOHMSHSA-N 2 0 400.611 3.881 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501846912 1004773394 /nfs/dbraw/zinc/77/33/94/1004773394.db2.gz BISRMFQAUFFFPF-HSZRJFAPSA-N 2 0 410.562 3.723 20 0 HHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000510750078 1004831854 /nfs/dbraw/zinc/83/18/54/1004831854.db2.gz LCAXJNONIFJSMR-QGZVFWFLSA-N 2 0 406.496 3.963 20 0 HHADRP Cc1csc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)CC2)n1 ZINC000513203937 1004859487 /nfs/dbraw/zinc/85/94/87/1004859487.db2.gz MVMHWEZYOYCCBI-KRWDZBQOSA-N 2 0 417.598 3.662 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000513213902 1004864511 /nfs/dbraw/zinc/86/45/11/1004864511.db2.gz WMQUIZJOSFHXQS-INIZCTEOSA-N 2 0 416.507 3.645 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CCCCC1 ZINC000502084267 1004895444 /nfs/dbraw/zinc/89/54/44/1004895444.db2.gz BVBNKUXLNVDZNR-UHFFFAOYSA-N 2 0 421.589 3.850 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[NH+](C)C)cc1 ZINC000513346429 1004921399 /nfs/dbraw/zinc/92/13/99/1004921399.db2.gz VBQOLSVKAFZSAB-GMAHTHKFSA-N 2 0 400.611 3.615 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000513356786 1004924635 /nfs/dbraw/zinc/92/46/35/1004924635.db2.gz IHLQCMPYQVUPHN-CVDCTZTESA-N 2 0 402.627 3.860 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510976714 1004962513 /nfs/dbraw/zinc/96/25/13/1004962513.db2.gz VIQOIXFWFZKLRE-CTNGQTDRSA-N 2 0 401.595 3.790 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513526799 1005006113 /nfs/dbraw/zinc/00/61/13/1005006113.db2.gz QDULIOYSENMBPK-SANMLTNESA-N 2 0 415.585 3.688 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccco1 ZINC000513542535 1005014447 /nfs/dbraw/zinc/01/44/47/1005014447.db2.gz FJYRQVZDHTYEDE-ICSRJNTNSA-N 2 0 413.566 3.672 20 0 HHADRP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000513559744 1005022358 /nfs/dbraw/zinc/02/23/58/1005022358.db2.gz IMNHAVPSTIKJAJ-ISKFKSNPSA-N 2 0 409.549 3.819 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000511158739 1005050356 /nfs/dbraw/zinc/05/03/56/1005050356.db2.gz ODKSEHDDJQZMJS-RUZDIDTESA-N 2 0 407.602 3.968 20 0 HHADRP C[C@@H](NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000511226683 1005081380 /nfs/dbraw/zinc/08/13/80/1005081380.db2.gz CJNJJKNNDBANPF-OAQYLSRUSA-N 2 0 412.622 3.671 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511228746 1005082674 /nfs/dbraw/zinc/08/26/74/1005082674.db2.gz OLJISTIEKXNDNB-KNQAVFIVSA-N 2 0 400.611 3.933 20 0 HHADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511232958 1005084400 /nfs/dbraw/zinc/08/44/00/1005084400.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 2 0 401.570 3.807 20 0 HHADRP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692306 1005084454 /nfs/dbraw/zinc/08/44/54/1005084454.db2.gz YYHAWTVUIDKVHO-GSPCLOLRSA-N 2 0 407.606 3.997 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511292750 1005111278 /nfs/dbraw/zinc/11/12/78/1005111278.db2.gz KBAPVHAQTGJLFJ-PMVMPFDFSA-N 2 0 412.622 3.803 20 0 HHADRP C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511294750 1005112228 /nfs/dbraw/zinc/11/22/28/1005112228.db2.gz RVOWKWGZVKZBNA-UNMCSNQZSA-N 2 0 404.643 3.937 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cn2)CC1 ZINC000513868914 1005165972 /nfs/dbraw/zinc/16/59/72/1005165972.db2.gz CSHRHTVBALOENH-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502670605 1005171834 /nfs/dbraw/zinc/17/18/34/1005171834.db2.gz PRHGSMRVHBZHFS-UHFFFAOYSA-N 2 0 412.622 3.732 20 0 HHADRP CCC1(CNC(=O)N(C)CC2CC[NH+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514027993 1005234364 /nfs/dbraw/zinc/23/43/64/1005234364.db2.gz YSUXWQAAQFMJRD-UHFFFAOYSA-N 2 0 400.611 3.662 20 0 HHADRP COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000502863394 1005248555 /nfs/dbraw/zinc/24/85/55/1005248555.db2.gz QCAVKUNAHYDOPY-OFNKIYASSA-N 2 0 416.610 3.786 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000511636421 1005254513 /nfs/dbraw/zinc/25/45/13/1005254513.db2.gz NRDNLCGNSHQAMW-QHCPKHFHSA-N 2 0 422.573 3.621 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502878575 1005255698 /nfs/dbraw/zinc/25/56/98/1005255698.db2.gz WGQZTPVVOTXWFD-UHFFFAOYSA-N 2 0 412.622 3.949 20 0 HHADRP COc1cccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)c1 ZINC000511646387 1005259759 /nfs/dbraw/zinc/25/97/59/1005259759.db2.gz GQNYPSBRUYYVGB-VWLOTQADSA-N 2 0 421.585 3.861 20 0 HHADRP CN(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502916760 1005273509 /nfs/dbraw/zinc/27/35/09/1005273509.db2.gz HIETYCFGIPQZEY-UHFFFAOYSA-N 2 0 400.611 3.947 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000514157531 1005293506 /nfs/dbraw/zinc/29/35/06/1005293506.db2.gz GULFHPVHGXJAQX-FGZHOGPDSA-N 2 0 410.562 3.861 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000514171702 1005297884 /nfs/dbraw/zinc/29/78/84/1005297884.db2.gz FYVCQJZRULZFGT-RUZDIDTESA-N 2 0 422.617 3.509 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccco1 ZINC000514173305 1005298251 /nfs/dbraw/zinc/29/82/51/1005298251.db2.gz VPPSZKGRMJPLLD-MSOLQXFVSA-N 2 0 404.580 3.860 20 0 HHADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000514180263 1005300732 /nfs/dbraw/zinc/30/07/32/1005300732.db2.gz QMWZQOBXLITUND-FQEVSTJZSA-N 2 0 417.557 3.807 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000514197196 1005308018 /nfs/dbraw/zinc/30/80/18/1005308018.db2.gz KQLUMEATRQJHQW-QHCPKHFHSA-N 2 0 412.553 3.640 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000514211259 1005315591 /nfs/dbraw/zinc/31/55/91/1005315591.db2.gz PTBSMQJSCMRACN-RTWAWAEBSA-N 2 0 400.592 3.796 20 0 HHADRP CCCOc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc2ccccc21 ZINC000514237501 1005326737 /nfs/dbraw/zinc/32/67/37/1005326737.db2.gz JINWAUVGIHEKCW-FQEVSTJZSA-N 2 0 412.578 3.512 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312049 1005335600 /nfs/dbraw/zinc/33/56/00/1005335600.db2.gz VWPQYBZKVQSXOM-DQEYMECFSA-N 2 0 420.601 3.807 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514312052 1005335824 /nfs/dbraw/zinc/33/58/24/1005335824.db2.gz VWPQYBZKVQSXOM-RPBOFIJWSA-N 2 0 420.601 3.807 20 0 HHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069567 1005336277 /nfs/dbraw/zinc/33/62/77/1005336277.db2.gz SCCOIYMGZKODHZ-NJDAHSKKSA-N 2 0 400.611 3.659 20 0 HHADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000503081977 1005342606 /nfs/dbraw/zinc/34/26/06/1005342606.db2.gz VLHSGVLRDUJTKL-HNNXBMFYSA-N 2 0 414.331 3.619 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000503356760 1005396980 /nfs/dbraw/zinc/39/69/80/1005396980.db2.gz OHVRRGBQEMWANZ-BKULYWANSA-N 2 0 408.590 3.808 20 0 HHADRP O=C(C[NH2+][C@H]1CCCC12CCOCC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503417664 1005414342 /nfs/dbraw/zinc/41/43/42/1005414342.db2.gz WFBQDBZFNHLZTQ-SFTDATJTSA-N 2 0 419.997 3.532 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000503466134 1005429101 /nfs/dbraw/zinc/42/91/01/1005429101.db2.gz RQVLQKDEBHPTAR-BGYRXZFFSA-N 2 0 400.611 3.696 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)C2)CC1 ZINC000503476025 1005432002 /nfs/dbraw/zinc/43/20/02/1005432002.db2.gz VMVOSQOGPOADFT-UPVQGACJSA-N 2 0 412.622 3.977 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000503707990 1005483964 /nfs/dbraw/zinc/48/39/64/1005483964.db2.gz LQMYWGQPQFZECQ-GOSISDBHSA-N 2 0 415.409 3.896 20 0 HHADRP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N[C@@H]1CCOc2ccccc21 ZINC000503888725 1005505292 /nfs/dbraw/zinc/50/52/92/1005505292.db2.gz BOWZYKSWYRSFEO-MSNJVRRCSA-N 2 0 419.569 3.517 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000503895756 1005506496 /nfs/dbraw/zinc/50/64/96/1005506496.db2.gz WWWDQISIRMYSTH-YKSBVNFPSA-N 2 0 405.542 3.881 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000503937173 1005515433 /nfs/dbraw/zinc/51/54/33/1005515433.db2.gz LIMMAQNDLONMID-YKSBVNFPSA-N 2 0 405.542 3.881 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000504402476 1005619319 /nfs/dbraw/zinc/61/93/19/1005619319.db2.gz AMVPZFBKUKPJFP-XZOQPEGZSA-N 2 0 416.610 3.733 20 0 HHADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514446077 1005994850 /nfs/dbraw/zinc/99/48/50/1005994850.db2.gz UOLIKXBLXQMTLG-DEOSSOPVSA-N 2 0 406.574 3.741 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000531315695 1006115787 /nfs/dbraw/zinc/11/57/87/1006115787.db2.gz IWZWGYIHDHVFEH-RTBURBONSA-N 2 0 404.942 3.672 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169479 /nfs/dbraw/zinc/16/94/79/1006169479.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 2 0 423.601 3.531 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000531443236 1006199221 /nfs/dbraw/zinc/19/92/21/1006199221.db2.gz BNKRLTCNNLBQLJ-UHFFFAOYSA-N 2 0 406.574 3.696 20 0 HHADRP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000534233886 1006235143 /nfs/dbraw/zinc/23/51/43/1006235143.db2.gz FXXFWEXPSDXRLH-LJQANCHMSA-N 2 0 412.553 3.693 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000515232514 1006349008 /nfs/dbraw/zinc/34/90/08/1006349008.db2.gz MVQRVJZHOQHOPG-UHFFFAOYSA-N 2 0 423.605 3.992 20 0 HHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000531684700 1006353255 /nfs/dbraw/zinc/35/32/55/1006353255.db2.gz PNSZSAXVARHLPC-JXFKEZNVSA-N 2 0 422.411 3.812 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC1 ZINC000531704349 1006367101 /nfs/dbraw/zinc/36/71/01/1006367101.db2.gz DRGDOSWUTNWWJM-UXHICEINSA-N 2 0 418.601 3.799 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)C1 ZINC000531714448 1006373209 /nfs/dbraw/zinc/37/32/09/1006373209.db2.gz QARYEOHTAXOFRJ-FYYLOGMGSA-N 2 0 409.599 3.504 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000531719790 1006377122 /nfs/dbraw/zinc/37/71/22/1006377122.db2.gz PQMPQXDMWGCJLA-UZLBHIALSA-N 2 0 415.965 3.897 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@]3(C(F)(F)F)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534408908 1006384112 /nfs/dbraw/zinc/38/41/12/1006384112.db2.gz FBBHZMWNRFFNTQ-IRLDBZIGSA-N 2 0 423.523 3.631 20 0 HHADRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000531738799 1006389955 /nfs/dbraw/zinc/38/99/55/1006389955.db2.gz WNOCRKKEVCPRMT-KRWDZBQOSA-N 2 0 403.567 3.808 20 0 HHADRP COc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(OC)c1 ZINC000515354431 1006414654 /nfs/dbraw/zinc/41/46/54/1006414654.db2.gz QSDRLHHDXYOETM-SFHVURJKSA-N 2 0 411.546 3.807 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448945 1006430530 /nfs/dbraw/zinc/43/05/30/1006430530.db2.gz YILIMHZIGDSINC-RPWUZVMVSA-N 2 0 412.622 3.833 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000531820775 1006450989 /nfs/dbraw/zinc/45/09/89/1006450989.db2.gz DPOTXOOSUNDHJF-XMMPIXPASA-N 2 0 423.601 3.985 20 0 HHADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)C1CC[NH+](C)CC1 ZINC000531848201 1006468824 /nfs/dbraw/zinc/46/88/24/1006468824.db2.gz QTRFIZZGOHHYOD-LJQANCHMSA-N 2 0 414.544 3.864 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476572 1006489532 /nfs/dbraw/zinc/48/95/32/1006489532.db2.gz LYZZKUZNROPSAQ-FPOVZHCZSA-N 2 0 410.562 3.720 20 0 HHADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000531949814 1006539431 /nfs/dbraw/zinc/53/94/31/1006539431.db2.gz BWMZJPHDSONEJK-UHFFFAOYSA-N 2 0 415.965 3.675 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1sccc1Br ZINC000531960894 1006548266 /nfs/dbraw/zinc/54/82/66/1006548266.db2.gz DPWQYNXHRQXIQJ-HNNXBMFYSA-N 2 0 424.412 3.554 20 0 HHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532103233 1006637083 /nfs/dbraw/zinc/63/70/83/1006637083.db2.gz QERRGZMUKZWTMP-NRFANRHFSA-N 2 0 414.619 3.726 20 0 HHADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000515756370 1006645711 /nfs/dbraw/zinc/64/57/11/1006645711.db2.gz AOOXJFVFGNHCFT-RTBURBONSA-N 2 0 422.573 3.537 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000515757999 1006647864 /nfs/dbraw/zinc/64/78/64/1006647864.db2.gz TYGWHXUHMVZQJL-QHAWAJNXSA-N 2 0 423.601 3.968 20 0 HHADRP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682825 1006662013 /nfs/dbraw/zinc/66/20/13/1006662013.db2.gz MVRJEQZEMJRUEK-ZEQRLZLVSA-N 2 0 406.574 3.917 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682823 1006662412 /nfs/dbraw/zinc/66/24/12/1006662412.db2.gz MVRJEQZEMJRUEK-DNQXCXABSA-N 2 0 406.574 3.917 20 0 HHADRP CC[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000515790534 1006673353 /nfs/dbraw/zinc/67/33/53/1006673353.db2.gz LNZFKJFHAXBNRS-DHIUTWEWSA-N 2 0 412.553 3.565 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000515801719 1006681501 /nfs/dbraw/zinc/68/15/01/1006681501.db2.gz NZNCSZZXORZVBF-NRFANRHFSA-N 2 0 407.002 3.850 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000532183869 1006702938 /nfs/dbraw/zinc/70/29/38/1006702938.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 2 0 412.622 3.797 20 0 HHADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874119 1006729925 /nfs/dbraw/zinc/72/99/25/1006729925.db2.gz FDENRCGDCCAHII-DVECYGJZSA-N 2 0 410.558 3.651 20 0 HHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225486 1006733097 /nfs/dbraw/zinc/73/30/97/1006733097.db2.gz XXNKJCKHMKENPH-QPPBQGQZSA-N 2 0 407.558 3.560 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536057 1006797912 /nfs/dbraw/zinc/79/79/12/1006797912.db2.gz NCLKDTZNHSLZKK-NLFFAJNJSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000538536054 1006798077 /nfs/dbraw/zinc/79/80/77/1006798077.db2.gz NCLKDTZNHSLZKK-CJFMBICVSA-N 2 0 420.601 3.706 20 0 HHADRP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(N2CCOCC2)c1 ZINC000538587842 1006855059 /nfs/dbraw/zinc/85/50/59/1006855059.db2.gz IMOKQZUUJQYCLF-LJQANCHMSA-N 2 0 409.578 3.622 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504387 1006944406 /nfs/dbraw/zinc/94/44/06/1006944406.db2.gz WKXVSBIFNDSDSU-HZPDHXFCSA-N 2 0 413.484 3.513 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958839 1007004125 /nfs/dbraw/zinc/00/41/25/1007004125.db2.gz ISTJHCKZZIMTJH-QKLQHJQFSA-N 2 0 410.965 3.646 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@]3([NH+](C)C)CCSC3)c2)CC1 ZINC000538772553 1007055301 /nfs/dbraw/zinc/05/53/01/1007055301.db2.gz CKGRJBSMMZRXAD-QFIPXVFZSA-N 2 0 404.624 3.520 20 0 HHADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000532635574 1007056088 /nfs/dbraw/zinc/05/60/88/1007056088.db2.gz URMUAJCLSHXFBK-QFIPXVFZSA-N 2 0 422.573 3.797 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000516392329 1007057365 /nfs/dbraw/zinc/05/73/65/1007057365.db2.gz QDAFOKOHJCFANX-FQEVSTJZSA-N 2 0 409.574 3.931 20 0 HHADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000535000155 1007060099 /nfs/dbraw/zinc/06/00/99/1007060099.db2.gz WGEKFAUOFKUIFZ-UHFFFAOYSA-N 2 0 418.029 3.940 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538854023 1007129150 /nfs/dbraw/zinc/12/91/50/1007129150.db2.gz LNPJXLKHCXVWNQ-QHCPKHFHSA-N 2 0 415.626 3.984 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000538943438 1007227787 /nfs/dbraw/zinc/22/77/87/1007227787.db2.gz LQWDOGOEWMDHQY-OAQYLSRUSA-N 2 0 420.601 3.505 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)C2)CC1 ZINC000535183378 1007228994 /nfs/dbraw/zinc/22/89/94/1007228994.db2.gz XVKZIIPWQACDSX-XMMPIXPASA-N 2 0 412.622 3.936 20 0 HHADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000538970185 1007260302 /nfs/dbraw/zinc/26/03/02/1007260302.db2.gz ZIUMGWGYRBZYMG-UHFFFAOYSA-N 2 0 408.527 3.940 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000539042716 1007339440 /nfs/dbraw/zinc/33/94/40/1007339440.db2.gz GYMXPAPWRQSUPM-SVFBPWRDSA-N 2 0 415.603 3.546 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539060392 1007353699 /nfs/dbraw/zinc/35/36/99/1007353699.db2.gz SFGQSVOVFMBBGV-CDNPAEQRSA-N 2 0 416.610 3.979 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000532986447 1007356239 /nfs/dbraw/zinc/35/62/39/1007356239.db2.gz NGFXAIAVFZXWPR-HSZRJFAPSA-N 2 0 420.601 3.783 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1OC(F)F ZINC000539070314 1007362418 /nfs/dbraw/zinc/36/24/18/1007362418.db2.gz FCSWYBVCFZKEFZ-CQSZACIVSA-N 2 0 409.452 3.569 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000539075609 1007366363 /nfs/dbraw/zinc/36/63/63/1007366363.db2.gz JORUSLMCWQHJCO-HXUWFJFHSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539075735 1007367386 /nfs/dbraw/zinc/36/73/86/1007367386.db2.gz JWQZILSUTYWUGK-OAGGEKHMSA-N 2 0 401.364 3.998 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000533048077 1007409777 /nfs/dbraw/zinc/40/97/77/1007409777.db2.gz QUDKACVFSGZSQX-YKSBVNFPSA-N 2 0 406.574 3.778 20 0 HHADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539217537 1007508374 /nfs/dbraw/zinc/50/83/74/1007508374.db2.gz LQXLPBRZYWVZSL-HSZRJFAPSA-N 2 0 409.530 3.977 20 0 HHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000535506071 1007561585 /nfs/dbraw/zinc/56/15/85/1007561585.db2.gz ATFZAIFPFUQZET-SFHVURJKSA-N 2 0 400.792 3.707 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535506464 1007562234 /nfs/dbraw/zinc/56/22/34/1007562234.db2.gz DHOANSKTNZOZRU-KUHUBIRLSA-N 2 0 414.819 3.953 20 0 HHADRP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000533248033 1007567442 /nfs/dbraw/zinc/56/74/42/1007567442.db2.gz NPQXPFKZPWYGLH-QHCPKHFHSA-N 2 0 401.595 3.803 20 0 HHADRP C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539377101 1007681922 /nfs/dbraw/zinc/68/19/22/1007681922.db2.gz LAHZGGCVPVMQHA-AWRGLXIESA-N 2 0 420.601 3.717 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000535670915 1007689377 /nfs/dbraw/zinc/68/93/77/1007689377.db2.gz WPKKXHHKSCUXNA-KRWDZBQOSA-N 2 0 400.542 3.816 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535677588 1007704402 /nfs/dbraw/zinc/70/44/02/1007704402.db2.gz VLBQKLHKDFLQKA-PLMNBDQRSA-N 2 0 422.976 3.786 20 0 HHADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535681866 1007711341 /nfs/dbraw/zinc/71/13/41/1007711341.db2.gz QQXHCOWQQBSWDV-DYESRHJHSA-N 2 0 424.992 3.892 20 0 HHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699299 1007735921 /nfs/dbraw/zinc/73/59/21/1007735921.db2.gz IBIRPNJTUPBRBL-LAUBAEHRSA-N 2 0 424.992 3.988 20 0 HHADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535699951 1007736057 /nfs/dbraw/zinc/73/60/57/1007736057.db2.gz KVSINEKRAILDBA-UZLBHIALSA-N 2 0 410.965 3.644 20 0 HHADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000535700539 1007737707 /nfs/dbraw/zinc/73/77/07/1007737707.db2.gz LUUHTQVREJEQKN-PXNSSMCTSA-N 2 0 412.981 3.890 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000535702604 1007740213 /nfs/dbraw/zinc/74/02/13/1007740213.db2.gz UUOFUUMVMPMTBP-QUJKESNLSA-N 2 0 424.992 3.986 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000517525809 1007745611 /nfs/dbraw/zinc/74/56/11/1007745611.db2.gz OXDSNVVFJSMLAD-MOPGFXCFSA-N 2 0 404.555 3.626 20 0 HHADRP CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535709087 1007748928 /nfs/dbraw/zinc/74/89/28/1007748928.db2.gz ZALYXJQUWUWJEM-JOCHJYFZSA-N 2 0 412.553 3.693 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541724 1007758476 /nfs/dbraw/zinc/75/84/76/1007758476.db2.gz RVQXURNJAXGKGQ-HYBUGGRVSA-N 2 0 406.574 3.917 20 0 HHADRP C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000533496763 1007807519 /nfs/dbraw/zinc/80/75/19/1007807519.db2.gz ALJBEMRKOLYXTQ-NRFANRHFSA-N 2 0 421.633 3.927 20 0 HHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C12CCC2 ZINC000539496410 1007807719 /nfs/dbraw/zinc/80/77/19/1007807719.db2.gz MDZPWVGFJVYRAM-PKTZIBPZSA-N 2 0 402.579 3.614 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576610 1007892262 /nfs/dbraw/zinc/89/22/62/1007892262.db2.gz PLFDCUCPLRVQCQ-PMACEKPBSA-N 2 0 411.512 3.874 20 0 HHADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C2)CC1 ZINC000535935038 1007963335 /nfs/dbraw/zinc/96/33/35/1007963335.db2.gz GPPXWEFGOPPFLW-ZVDOUQERSA-N 2 0 404.624 3.504 20 0 HHADRP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cs2)cs1 ZINC000539646791 1007963926 /nfs/dbraw/zinc/96/39/26/1007963926.db2.gz HJWUDUNQJSFUJQ-YOEHRIQHSA-N 2 0 408.637 3.923 20 0 HHADRP CC(C)C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)NCC[NH+](C)C ZINC000539646781 1007964008 /nfs/dbraw/zinc/96/40/08/1007964008.db2.gz HBAKKBFUIDNKHC-QUCCMNQESA-N 2 0 414.619 3.870 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651691 1007969437 /nfs/dbraw/zinc/96/94/37/1007969437.db2.gz RKSCIKTVOJFUOR-NLFFAJNJSA-N 2 0 408.590 3.608 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000535942446 1007975140 /nfs/dbraw/zinc/97/51/40/1007975140.db2.gz HYNGBNBQUMHIRC-HYBUGGRVSA-N 2 0 412.622 3.792 20 0 HHADRP C[NH+](C)CCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000517842277 1008007486 /nfs/dbraw/zinc/00/74/86/1008007486.db2.gz MWYORQBNZWETGM-UHFFFAOYSA-N 2 0 416.347 3.724 20 0 HHADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536096539 1008119270 /nfs/dbraw/zinc/11/92/70/1008119270.db2.gz TWIRPOZEOQKFGC-VWLOTQADSA-N 2 0 421.585 3.861 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536100535 1008124685 /nfs/dbraw/zinc/12/46/85/1008124685.db2.gz VWNHIRNWKMZRRP-VWNXMTODSA-N 2 0 424.589 3.652 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)cc2)CC1 ZINC000518366536 1008277637 /nfs/dbraw/zinc/27/76/37/1008277637.db2.gz ZBFNZZNQPHACRJ-UHFFFAOYSA-N 2 0 424.589 3.800 20 0 HHADRP C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540117856 1008297000 /nfs/dbraw/zinc/29/70/00/1008297000.db2.gz OGYPHICAYLEDOD-QGZVFWFLSA-N 2 0 415.559 3.514 20 0 HHADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540141171 1008308914 /nfs/dbraw/zinc/30/89/14/1008308914.db2.gz FMOPESVURHEJNR-QRWLVFNGSA-N 2 0 407.352 3.774 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157102 1008315140 /nfs/dbraw/zinc/31/51/40/1008315140.db2.gz VOYZSKVOWOEZMW-YTJPUZGESA-N 2 0 415.965 3.903 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1)CC(C)C ZINC000540260080 1008358277 /nfs/dbraw/zinc/35/82/77/1008358277.db2.gz VDDZMCQSCAVOIQ-UHFFFAOYSA-N 2 0 424.674 3.665 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(Br)cc3)C3CC3)cn2)CC1 ZINC000540262674 1008359727 /nfs/dbraw/zinc/35/97/27/1008359727.db2.gz FCVAAOLGTYFWCH-NRFANRHFSA-N 2 0 415.379 3.837 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C[C@H]1C ZINC000540328179 1008381636 /nfs/dbraw/zinc/38/16/36/1008381636.db2.gz MWGCPAVWHXPCNE-BGYRXZFFSA-N 2 0 419.573 3.771 20 0 HHADRP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000540417342 1008424144 /nfs/dbraw/zinc/42/41/44/1008424144.db2.gz LQYRVFHJGIOBRY-NRFANRHFSA-N 2 0 400.954 3.751 20 0 HHADRP COc1cccc(F)c1[C@H](C)NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000540441297 1008435756 /nfs/dbraw/zinc/43/57/56/1008435756.db2.gz IECQUGHHUMRFGU-INIZCTEOSA-N 2 0 417.550 3.672 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493458 1008453900 /nfs/dbraw/zinc/45/39/00/1008453900.db2.gz ADVQPOOQDCDIBF-PXNSSMCTSA-N 2 0 412.965 3.892 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000519012095 1008500794 /nfs/dbraw/zinc/50/07/94/1008500794.db2.gz OPOLGMPKKLPKDQ-UODIDJSMSA-N 3 0 412.666 3.540 20 0 HHADRP C[N@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCSC1 ZINC000549028382 1008597857 /nfs/dbraw/zinc/59/78/57/1008597857.db2.gz FJEXCQLDTRHHMY-JZLTWYBRSA-N 2 0 422.038 3.807 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c(Br)cccc43)cn2)CC1 ZINC000543081582 1008658938 /nfs/dbraw/zinc/65/89/38/1008658938.db2.gz XPMWGTBOBCODTD-FQEVSTJZSA-N 2 0 415.379 3.763 20 0 HHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000549142748 1008711089 /nfs/dbraw/zinc/71/10/89/1008711089.db2.gz NZXSLGLNOQQYPL-LOSJGSFVSA-N 2 0 421.585 3.705 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000549152747 1008722603 /nfs/dbraw/zinc/72/26/03/1008722603.db2.gz XRYVWPONQZIWPQ-UHFFFAOYSA-N 2 0 405.586 3.955 20 0 HHADRP NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000543162215 1008735667 /nfs/dbraw/zinc/73/56/67/1008735667.db2.gz YJKXZZHFAQUIBX-NRFANRHFSA-N 2 0 419.491 3.878 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190590 1008763814 /nfs/dbraw/zinc/76/38/14/1008763814.db2.gz UYSSWIRDEBVDFZ-AOYPEHQESA-N 2 0 421.585 3.826 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cccc2ccccc21 ZINC000549202582 1008775200 /nfs/dbraw/zinc/77/52/00/1008775200.db2.gz RZTRFWPVMWINDG-NHCUHLMSSA-N 2 0 423.601 3.840 20 0 HHADRP C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)c1 ZINC000545694368 1008787413 /nfs/dbraw/zinc/78/74/13/1008787413.db2.gz BVKCZUDGJRIEAQ-UHFFFAOYSA-N 2 0 424.570 3.893 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000549226972 1008796615 /nfs/dbraw/zinc/79/66/15/1008796615.db2.gz AJBCLJRJNJDTKU-KAOXLYBCSA-N 2 0 400.563 3.526 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(Cl)cc1 ZINC000549230594 1008801100 /nfs/dbraw/zinc/80/11/00/1008801100.db2.gz SVEUWPGCAMOGIW-NRFANRHFSA-N 2 0 418.006 3.922 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000519500230 1008870818 /nfs/dbraw/zinc/87/08/18/1008870818.db2.gz VWWJEMDMIJGILW-NRFANRHFSA-N 2 0 402.970 3.716 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000519508613 1008880987 /nfs/dbraw/zinc/88/09/87/1008880987.db2.gz SHBQTNVYIYPJNI-UHFFFAOYSA-N 2 0 420.504 3.501 20 0 HHADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549345224 1008925074 /nfs/dbraw/zinc/92/50/74/1008925074.db2.gz DRLBUNKAEGRLHR-UHFFFAOYSA-N 2 0 421.585 3.730 20 0 HHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000543432053 1009021262 /nfs/dbraw/zinc/02/12/62/1009021262.db2.gz GHKNCZWHOICENG-HXUWFJFHSA-N 2 0 423.605 3.552 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](Cc3cccnc3)c3ccc(Cl)cc3)ccn2)CC1 ZINC000546167790 1009200209 /nfs/dbraw/zinc/20/02/09/1009200209.db2.gz YAYSBESGDFIMTJ-QHCPKHFHSA-N 2 0 421.976 3.955 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267896 /nfs/dbraw/zinc/26/78/96/1009267896.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 2 0 403.586 3.912 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000520127711 1009280860 /nfs/dbraw/zinc/28/08/60/1009280860.db2.gz WYLGOECECITHEG-GOSISDBHSA-N 2 0 408.999 3.778 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775955 1009344768 /nfs/dbraw/zinc/34/47/68/1009344768.db2.gz SJMTUURQWDAFJF-UTKZUKDTSA-N 2 0 414.546 3.520 20 0 HHADRP O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000549718877 1009347627 /nfs/dbraw/zinc/34/76/27/1009347627.db2.gz FRFPJISJVGHJOP-VJTSUQJLSA-N 2 0 403.570 3.603 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OC(F)(F)F)c2)C1 ZINC000520227035 1009352145 /nfs/dbraw/zinc/35/21/45/1009352145.db2.gz AGYLKHRHOZJSFC-IBGZPJMESA-N 2 0 421.463 3.572 20 0 HHADRP C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000546401660 1009416378 /nfs/dbraw/zinc/41/63/78/1009416378.db2.gz HOCUBFRUXUXNDS-UHFFFAOYSA-N 2 0 424.570 3.893 20 0 HHADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2(C[NH+](C)[C@H]3C[C@@H](OCC)C34CCC4)COC2)C12CCC2 ZINC000543859939 1009425952 /nfs/dbraw/zinc/42/59/52/1009425952.db2.gz KURIAZDCAZAZHE-CIAFKFPVSA-N 2 0 420.638 3.562 20 0 HHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000543871835 1009441322 /nfs/dbraw/zinc/44/13/22/1009441322.db2.gz BHFVJHOALCDPQJ-DENIHFKCSA-N 2 0 401.595 3.849 20 0 HHADRP c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868533 1009489408 /nfs/dbraw/zinc/48/94/08/1009489408.db2.gz YKBDNFREANNKNO-DEOSSOPVSA-N 2 0 416.569 3.891 20 0 HHADRP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(C(C)(C)C)n1 ZINC000549877205 1009498522 /nfs/dbraw/zinc/49/85/22/1009498522.db2.gz HGNFNJICEQGNNL-JOCHJYFZSA-N 2 0 410.606 3.736 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCN(CC(F)F)CC3)cc2)C[C@H]1C ZINC000544004508 1009605149 /nfs/dbraw/zinc/60/51/49/1009605149.db2.gz SYKRHQVFSFBITM-KDURUIRLSA-N 2 0 409.565 3.515 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040031 1009641815 /nfs/dbraw/zinc/64/18/15/1009641815.db2.gz TXYXZIUXUQOLQY-MOPGFXCFSA-N 2 0 414.594 3.710 20 0 HHADRP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544072040 1009676440 /nfs/dbraw/zinc/67/64/40/1009676440.db2.gz PSBDUGNPZZDJKW-CMKODMSKSA-N 2 0 411.384 3.574 20 0 HHADRP Cc1ccc(CCC[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000544147011 1009755850 /nfs/dbraw/zinc/75/58/50/1009755850.db2.gz YGGODBGXIXHYSH-UHFFFAOYSA-N 2 0 407.602 3.888 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000550270752 1009820913 /nfs/dbraw/zinc/82/09/13/1009820913.db2.gz ANKQRJUIWKXULH-UHFFFAOYSA-N 2 0 412.887 3.838 20 0 HHADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000544223970 1009833020 /nfs/dbraw/zinc/83/30/20/1009833020.db2.gz WVJKXJVLCWXHHP-UHFFFAOYSA-N 2 0 423.601 3.938 20 0 HHADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000520780776 1009848368 /nfs/dbraw/zinc/84/83/68/1009848368.db2.gz FANFSTKZXFOUIG-QFIPXVFZSA-N 2 0 419.013 3.964 20 0 HHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000520793351 1009862511 /nfs/dbraw/zinc/86/25/11/1009862511.db2.gz YLGWRBWJXQJRIH-LJQANCHMSA-N 2 0 414.594 3.584 20 0 HHADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000550507555 1009987390 /nfs/dbraw/zinc/98/73/90/1009987390.db2.gz NVGYMCAWEBILMN-NXCFDTQHSA-N 2 0 417.597 3.907 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000521068612 1010085602 /nfs/dbraw/zinc/08/56/02/1010085602.db2.gz BOJLBPKXDURRHQ-UHFFFAOYSA-N 2 0 410.553 3.550 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521070351 1010087254 /nfs/dbraw/zinc/08/72/54/1010087254.db2.gz QVNMWQYQHJIIBY-QHCPKHFHSA-N 2 0 412.553 3.564 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000521180178 1010212564 /nfs/dbraw/zinc/21/25/64/1010212564.db2.gz NIJNCCOXJPKKAB-UHFFFAOYSA-N 2 0 420.601 3.866 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000521238816 1010245955 /nfs/dbraw/zinc/24/59/55/1010245955.db2.gz NZSHWAXGAFQEEM-UHFFFAOYSA-N 2 0 419.013 3.726 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000547365545 1010272087 /nfs/dbraw/zinc/27/20/87/1010272087.db2.gz WKHYLQXXHZKPEL-OAQYLSRUSA-N 2 0 413.528 3.744 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521509397 1010423681 /nfs/dbraw/zinc/42/36/81/1010423681.db2.gz CAXBREXZYUGFTN-BJKOFHAPSA-N 2 0 424.589 3.743 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827842 1010441032 /nfs/dbraw/zinc/44/10/32/1010441032.db2.gz IKFIANIAKSHWSE-DSKINZAPSA-N 2 0 422.491 3.945 20 0 HHADRP O=C1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2N1 ZINC000551264825 1010481294 /nfs/dbraw/zinc/48/12/94/1010481294.db2.gz OGUGNBLALAWFON-GMAHTHKFSA-N 2 0 419.569 3.978 20 0 HHADRP C[NH+](C)CC1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000521631828 1010512947 /nfs/dbraw/zinc/51/29/47/1010512947.db2.gz WCDRRJYQNJEEIP-UHFFFAOYSA-N 2 0 407.002 3.535 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000521679097 1010544424 /nfs/dbraw/zinc/54/44/24/1010544424.db2.gz SFGGDBUQPNEDJB-NRFANRHFSA-N 2 0 416.541 3.719 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521685631 1010550369 /nfs/dbraw/zinc/55/03/69/1010550369.db2.gz ATEQVKYZMAEXQD-PMACEKPBSA-N 2 0 406.590 3.657 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521816097 1010637390 /nfs/dbraw/zinc/63/73/90/1010637390.db2.gz JNQALMMFMQBJPN-IBGZPJMESA-N 2 0 407.562 3.556 20 0 HHADRP C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483852 1010642565 /nfs/dbraw/zinc/64/25/65/1010642565.db2.gz JCMXDJYKHRRANC-HKUYNNGSSA-N 2 0 406.496 4.403 20 0 HHADRP C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483853 1010642855 /nfs/dbraw/zinc/64/28/55/1010642855.db2.gz JCMXDJYKHRRANC-IEBWSBKVSA-N 2 0 406.496 4.403 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548487170 1010643470 /nfs/dbraw/zinc/64/34/70/1010643470.db2.gz BBYHXRGQHIOTBL-PMWMKWCKSA-N 3 0 407.602 3.644 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)CC3 ZINC000545189484 1010678057 /nfs/dbraw/zinc/67/80/57/1010678057.db2.gz ONHFRTNHAVPRQQ-OAQYLSRUSA-N 2 0 418.585 3.571 20 0 HHADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000522048222 1010777518 /nfs/dbraw/zinc/77/75/18/1010777518.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 2 0 418.585 3.756 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088612 1010802238 /nfs/dbraw/zinc/80/22/38/1010802238.db2.gz RQAKVUOBNUXRDY-GHTZIAJQSA-N 2 0 400.592 3.562 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000522173823 1010847213 /nfs/dbraw/zinc/84/72/13/1010847213.db2.gz KHSCCBSWXDVEDS-FQEVSTJZSA-N 2 0 400.611 3.982 20 0 HHADRP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000522270746 1010897206 /nfs/dbraw/zinc/89/72/06/1010897206.db2.gz DMHWXGUURQZLSI-UHFFFAOYSA-N 2 0 408.590 3.918 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000522278939 1010902185 /nfs/dbraw/zinc/90/21/85/1010902185.db2.gz DJSKLSAFLBZEEN-LJQANCHMSA-N 2 0 422.573 3.772 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000522603148 1011105459 /nfs/dbraw/zinc/10/54/59/1011105459.db2.gz NHWNGLXMALFALZ-VXKWHMMOSA-N 2 0 418.626 3.888 20 0 HHADRP COc1ccc([C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000522603147 1011105780 /nfs/dbraw/zinc/10/57/80/1011105780.db2.gz NHWNGLXMALFALZ-FGZHOGPDSA-N 2 0 418.626 3.888 20 0 HHADRP CCCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc21 ZINC000522727250 1011180610 /nfs/dbraw/zinc/18/06/10/1011180610.db2.gz ZEGSQORWYHNBBK-XMMPIXPASA-N 2 0 421.589 3.703 20 0 HHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000522782077 1011215732 /nfs/dbraw/zinc/21/57/32/1011215732.db2.gz DUCVFRZLDLTBBD-NRFANRHFSA-N 2 0 401.599 3.523 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000522823341 1011257249 /nfs/dbraw/zinc/25/72/49/1011257249.db2.gz NYNHWDQLFCZTFP-HXUWFJFHSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011264940 /nfs/dbraw/zinc/26/49/40/1011264940.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 2 0 420.601 3.842 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)CC1 ZINC000522834180 1011271261 /nfs/dbraw/zinc/27/12/61/1011271261.db2.gz OEDASKSWUUGGLM-UHFFFAOYSA-N 2 0 400.611 3.601 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)c2)CC1 ZINC000522853523 1011294044 /nfs/dbraw/zinc/29/40/44/1011294044.db2.gz MNLPGVAEORXSQU-UHFFFAOYSA-N 2 0 413.606 3.570 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000540789310 1011449821 /nfs/dbraw/zinc/44/98/21/1011449821.db2.gz UUCNWQJZIIOVQC-UXHICEINSA-N 2 0 418.006 3.756 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536304303 1011495839 /nfs/dbraw/zinc/49/58/39/1011495839.db2.gz ZSHCRYGVCXAUDB-SFHVURJKSA-N 2 0 400.792 3.707 20 0 HHADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000523064861 1011534217 /nfs/dbraw/zinc/53/42/17/1011534217.db2.gz WMFXCQCXBWAEJB-JOCHJYFZSA-N 2 0 419.491 3.819 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000523130554 1011600067 /nfs/dbraw/zinc/60/00/67/1011600067.db2.gz GDPPRTVYPAHJMB-QHAWAJNXSA-N 2 0 400.611 3.694 20 0 HHADRP CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523134274 1011603742 /nfs/dbraw/zinc/60/37/42/1011603742.db2.gz WQUXBZLCXLTWNG-GMAHTHKFSA-N 2 0 400.611 3.805 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990554 1011624008 /nfs/dbraw/zinc/62/40/08/1011624008.db2.gz NGFLEZYWMXTQIJ-VQIMIIECSA-N 2 0 403.558 3.973 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991773 1011625104 /nfs/dbraw/zinc/62/51/04/1011625104.db2.gz KMKKEUCSBJFLKA-WIYYLYMNSA-N 2 0 406.448 3.929 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536460771 1011680962 /nfs/dbraw/zinc/68/09/62/1011680962.db2.gz YIOCYMZMINURDP-XLIONFOSSA-N 2 0 410.965 3.503 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536460769 1011681216 /nfs/dbraw/zinc/68/12/16/1011681216.db2.gz YIOCYMZMINURDP-FXAWDEMLSA-N 2 0 410.965 3.503 20 0 HHADRP CCOCc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000536663810 1011814602 /nfs/dbraw/zinc/81/46/02/1011814602.db2.gz WSIKFPZBJXSFDR-PMACEKPBSA-N 2 0 404.595 3.943 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000523338271 1011815571 /nfs/dbraw/zinc/81/55/71/1011815571.db2.gz TVVZDJLMKRWVRQ-UHFFFAOYSA-N 2 0 422.617 3.989 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523340137 1011817647 /nfs/dbraw/zinc/81/76/47/1011817647.db2.gz HMQKRUOWPCXOSJ-XMMPIXPASA-N 2 0 408.590 3.664 20 0 HHADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000536667229 1011819860 /nfs/dbraw/zinc/81/98/60/1011819860.db2.gz YFCRQALXJNAKEB-JOCHJYFZSA-N 2 0 422.997 3.975 20 0 HHADRP CCOc1ccccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000536678573 1011841941 /nfs/dbraw/zinc/84/19/41/1011841941.db2.gz HLLFZSSZDQSLEO-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000541194129 1011865429 /nfs/dbraw/zinc/86/54/29/1011865429.db2.gz NVXXEGMQXDOMKL-CYFREDJKSA-N 2 0 424.589 3.647 20 0 HHADRP COCCCOc1cccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000536710900 1011883677 /nfs/dbraw/zinc/88/36/77/1011883677.db2.gz UMSKWCLHYHJLKY-NHCUHLMSSA-N 2 0 404.595 3.813 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445355 1011939824 /nfs/dbraw/zinc/93/98/24/1011939824.db2.gz GXWPMZSHZPIYDH-FPOVZHCZSA-N 2 0 410.562 3.892 20 0 HHADRP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472956 1011982399 /nfs/dbraw/zinc/98/23/99/1011982399.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 2 0 408.590 3.813 20 0 HHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536829458 1012058715 /nfs/dbraw/zinc/05/87/15/1012058715.db2.gz YISVMYODMJSXIK-JSRJAPPDSA-N 2 0 419.635 3.920 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000536828897 1012059204 /nfs/dbraw/zinc/05/92/04/1012059204.db2.gz SOAZDKYLLOCDQP-SVFBPWRDSA-N 2 0 415.603 3.546 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000536839934 1012069404 /nfs/dbraw/zinc/06/94/04/1012069404.db2.gz QUOQWBFKILQIPU-NJDAHSKKSA-N 2 0 411.590 3.942 20 0 HHADRP COc1ccccc1N1CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000552061758 1012079818 /nfs/dbraw/zinc/07/98/18/1012079818.db2.gz YUBSHRQSMUWIPI-LZBANZJXSA-N 2 0 407.558 3.833 20 0 HHADRP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854025 1012086101 /nfs/dbraw/zinc/08/61/01/1012086101.db2.gz XDWKAZNOZGHAKF-WMZOPIPTSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000536859104 1012092638 /nfs/dbraw/zinc/09/26/38/1012092638.db2.gz QXOPLVMLPJDKQD-FQEVSTJZSA-N 2 0 417.557 3.549 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000536859123 1012093361 /nfs/dbraw/zinc/09/33/61/1012093361.db2.gz QXOPLVMLPJDKQD-HXUWFJFHSA-N 2 0 417.557 3.549 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536878552 1012124736 /nfs/dbraw/zinc/12/47/36/1012124736.db2.gz WOVBMXUQGSMKKO-NRFANRHFSA-N 2 0 423.601 3.901 20 0 HHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000541434345 1012188876 /nfs/dbraw/zinc/18/88/76/1012188876.db2.gz SDQZJDMGMBHLIY-HSZRJFAPSA-N 2 0 421.585 3.549 20 0 HHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000552223258 1012235306 /nfs/dbraw/zinc/23/53/06/1012235306.db2.gz KEWYEEABOKXBDF-PXNSSMCTSA-N 2 0 401.576 3.564 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000552244555 1012256096 /nfs/dbraw/zinc/25/60/96/1012256096.db2.gz FJFZIRSNJFCWKW-UHFFFAOYSA-N 3 0 412.666 3.970 20 0 HHADRP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278114 1012291315 /nfs/dbraw/zinc/29/13/15/1012291315.db2.gz TURMUWLKRLXYCI-XXBNENTESA-N 2 0 409.574 3.863 20 0 HHADRP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000541522686 1012304489 /nfs/dbraw/zinc/30/44/89/1012304489.db2.gz XJXATAOCXPQTDA-RDGATRHJSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523738740 1012359210 /nfs/dbraw/zinc/35/92/10/1012359210.db2.gz JVGBDKXCHZUUKO-LJQANCHMSA-N 2 0 411.565 3.847 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000523749452 1012372500 /nfs/dbraw/zinc/37/25/00/1012372500.db2.gz QEKUWCOMQUFSED-OFNKIYASSA-N 2 0 424.589 3.710 20 0 HHADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000552365596 1012375768 /nfs/dbraw/zinc/37/57/68/1012375768.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 2 0 417.544 3.619 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000552437819 1012456877 /nfs/dbraw/zinc/45/68/77/1012456877.db2.gz WEJOBTDAWSVVEA-OAQYLSRUSA-N 2 0 408.546 3.541 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000537108960 1012482234 /nfs/dbraw/zinc/48/22/34/1012482234.db2.gz RLSJROFRMJCSQP-RTBURBONSA-N 2 0 412.553 3.954 20 0 HHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)C1CC[NH+](C)CC1 ZINC000552522745 1012541284 /nfs/dbraw/zinc/54/12/84/1012541284.db2.gz CTKYBQMLXTVIFI-HXUWFJFHSA-N 2 0 408.594 3.592 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000523876593 1012573689 /nfs/dbraw/zinc/57/36/89/1012573689.db2.gz MISWDNNKHPEPRD-ZGXWSNOMSA-N 2 0 406.640 3.626 20 0 HHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)CC1 ZINC000541759931 1012622190 /nfs/dbraw/zinc/62/21/90/1012622190.db2.gz YJCLPMKCTDOUPN-UHFFFAOYSA-N 2 0 408.590 3.510 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000523942252 1012676024 /nfs/dbraw/zinc/67/60/24/1012676024.db2.gz BGDRKEXOMPIRFC-HSZRJFAPSA-N 2 0 424.589 3.572 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000537326315 1012783907 /nfs/dbraw/zinc/78/39/07/1012783907.db2.gz UVIDCDQORLUMMT-OAQYLSRUSA-N 2 0 424.029 3.509 20 0 HHADRP C[C@@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000542041172 1012943006 /nfs/dbraw/zinc/94/30/06/1012943006.db2.gz KZDKTUWSZVFSML-UCFDBGMYSA-N 2 0 420.644 3.799 20 0 HHADRP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccc(C)cc1)CCO3)C2 ZINC001168274373 1072149331 /nfs/dbraw/zinc/14/93/31/1072149331.db2.gz SIOBPTNAKVJYLS-XMMPIXPASA-N 2 0 406.570 3.838 20 0 HHADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1)CC1CC1 ZINC000536738832 1072194605 /nfs/dbraw/zinc/19/46/05/1072194605.db2.gz UHJLUXMPYHSXDS-QHCPKHFHSA-N 2 0 412.622 3.848 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000913459241 1072391773 /nfs/dbraw/zinc/39/17/73/1072391773.db2.gz ZHWZXTAPWIDQAM-UHFFFAOYSA-N 2 0 421.589 3.615 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(Cl)c3Br)CC2)CC1 ZINC001648992497 1072393404 /nfs/dbraw/zinc/39/34/04/1072393404.db2.gz QPWKRGCODPGISI-UHFFFAOYSA-N 2 0 400.792 3.751 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000586855770 1072477234 /nfs/dbraw/zinc/47/72/34/1072477234.db2.gz IKLGYNXASNRKQX-IFMALSPDSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857880 1072480054 /nfs/dbraw/zinc/48/00/54/1072480054.db2.gz LXTBJWFUCQBUFF-KGSLCBSSSA-N 2 0 400.611 3.564 20 0 HHADRP CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000729842454 1072482562 /nfs/dbraw/zinc/48/25/62/1072482562.db2.gz DULQNTQRIMJTCN-YUQDSPFASA-N 2 0 422.573 3.601 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000586869372 1072492475 /nfs/dbraw/zinc/49/24/75/1072492475.db2.gz WREIZRVQQKSGQR-FCHUYYIVSA-N 2 0 412.578 3.874 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)o1 ZINC000586934160 1072503884 /nfs/dbraw/zinc/50/38/84/1072503884.db2.gz RYARGWZQVRUZSN-QHCPKHFHSA-N 2 0 424.589 3.936 20 0 HHADRP Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCC([NH+](C)C)CC2)C3)n1 ZINC001168323447 1072504424 /nfs/dbraw/zinc/50/44/24/1072504424.db2.gz ZMZZMGOOKIZCNK-ZQHBMWIYSA-N 2 0 401.595 3.651 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000586941424 1072504426 /nfs/dbraw/zinc/50/44/26/1072504426.db2.gz GHVOQJVYPBCSFE-PKTZIBPZSA-N 2 0 424.589 3.936 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001168326545 1072506956 /nfs/dbraw/zinc/50/69/56/1072506956.db2.gz ATYVGGAPWLZKFQ-AENCRQEPSA-N 2 0 413.606 3.980 20 0 HHADRP C[NH+](C)C1CCC([N@H+](Cc2ccncc2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001168329906 1072509766 /nfs/dbraw/zinc/50/97/66/1072509766.db2.gz KLJAODCHDVVXRC-XVAXZDLZSA-N 2 0 402.583 3.766 20 0 HHADRP CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168353516 1072539464 /nfs/dbraw/zinc/53/94/64/1072539464.db2.gz PQJFGDGRHRPEGI-FQEVSTJZSA-N 2 0 416.610 3.709 20 0 HHADRP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2)c1 ZINC000760531249 1072557003 /nfs/dbraw/zinc/55/70/03/1072557003.db2.gz SAGGQCZPKCFWAO-XMMPIXPASA-N 2 0 421.585 3.813 20 0 HHADRP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]2C3)c1 ZINC001168378711 1072645891 /nfs/dbraw/zinc/64/58/91/1072645891.db2.gz QZJLORZDRICWTQ-KNQAVFIVSA-N 2 0 406.574 3.542 20 0 HHADRP O=C(/C=C/c1ccsc1C(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001626002271 1072710066 /nfs/dbraw/zinc/71/00/66/1072710066.db2.gz BKDJHUGOADKGJM-NSCUHMNNSA-N 2 0 424.492 3.504 20 0 HHADRP Cc1cc2[nH]c(C[NH2+]Cc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2c(C)c1 ZINC000479380900 1072789857 /nfs/dbraw/zinc/78/98/57/1072789857.db2.gz ONVDDSAUDPRBNK-UHFFFAOYSA-N 2 0 404.558 3.900 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)c2cc1C ZINC000554863380 1072922799 /nfs/dbraw/zinc/92/27/99/1072922799.db2.gz RDGWQTMVNTVWEJ-QHCPKHFHSA-N 2 0 406.574 3.790 20 0 HHADRP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000554881831 1072933538 /nfs/dbraw/zinc/93/35/38/1072933538.db2.gz FAJZCDVZDPAMOO-FQEVSTJZSA-N 2 0 404.618 3.767 20 0 HHADRP CC[C@H](C(=O)N1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000555088869 1073149013 /nfs/dbraw/zinc/14/90/13/1073149013.db2.gz AIEQIVWEQPMUDW-BJKOFHAPSA-N 2 0 408.590 3.805 20 0 HHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)C[C@@H](C)O1 ZINC000588709927 1073155403 /nfs/dbraw/zinc/15/54/03/1073155403.db2.gz GHZBVHQYORPUTR-NHCUHLMSSA-N 2 0 413.606 3.634 20 0 HHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711371 1073157137 /nfs/dbraw/zinc/15/71/37/1073157137.db2.gz ONLRONILFDSQQU-IRXDYDNUSA-N 2 0 400.485 3.905 20 0 HHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760701558 1073197919 /nfs/dbraw/zinc/19/79/19/1073197919.db2.gz CBVBDOBSLDFSJR-UHFFFAOYSA-N 2 0 404.986 3.776 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1F ZINC000555181721 1073225238 /nfs/dbraw/zinc/22/52/38/1073225238.db2.gz CESJPUWLIRRWIM-FQEVSTJZSA-N 2 0 406.933 3.643 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccc21 ZINC000555236485 1073269508 /nfs/dbraw/zinc/26/95/08/1073269508.db2.gz YISNDSGOLPGZBJ-SDHSZQHLSA-N 2 0 421.585 3.747 20 0 HHADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)C[C@H](C)O1 ZINC000555309835 1073335311 /nfs/dbraw/zinc/33/53/11/1073335311.db2.gz CNLQOCBEXGDTHV-SFTDATJTSA-N 2 0 413.606 3.634 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000590123218 1073570656 /nfs/dbraw/zinc/57/06/56/1073570656.db2.gz WRRRABVMGHOCBT-IRXDYDNUSA-N 2 0 400.394 3.829 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555629165 1073697079 /nfs/dbraw/zinc/69/70/79/1073697079.db2.gz YCEWVROMXDMTIM-VGSWGCGISA-N 2 0 407.493 3.557 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000567771365 1073883891 /nfs/dbraw/zinc/88/38/91/1073883891.db2.gz APNSKPFDNCAJHD-FYYLOGMGSA-N 2 0 415.647 3.575 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000591376268 1074273462 /nfs/dbraw/zinc/27/34/62/1074273462.db2.gz TVGCICDBNCTBAD-UHFFFAOYSA-N 2 0 409.549 3.837 20 0 HHADRP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542079 1074377423 /nfs/dbraw/zinc/37/74/23/1074377423.db2.gz VMYIKPOHVYOFSA-UXHICEINSA-N 2 0 404.624 3.791 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000591545360 1074381355 /nfs/dbraw/zinc/38/13/55/1074381355.db2.gz FZPNTZQLOZMDOS-NQIIRXRSSA-N 2 0 407.002 3.897 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000591548799 1074383866 /nfs/dbraw/zinc/38/38/66/1074383866.db2.gz RCNMCVLGUCKTJE-IBGZPJMESA-N 2 0 407.002 3.724 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000591554618 1074404052 /nfs/dbraw/zinc/40/40/52/1074404052.db2.gz AYRFBQCSULRWQS-NHCUHLMSSA-N 2 0 400.611 3.838 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000591558073 1074405848 /nfs/dbraw/zinc/40/58/48/1074405848.db2.gz WEMPIKXZERQVRG-PKTZIBPZSA-N 2 0 400.611 3.599 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000591590461 1074452679 /nfs/dbraw/zinc/45/26/79/1074452679.db2.gz IOAQJXZFLJPZGA-HSZRJFAPSA-N 2 0 400.611 3.838 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000593499437 1075204354 /nfs/dbraw/zinc/20/43/54/1075204354.db2.gz XULXGMIBEUMREW-HXUWFJFHSA-N 2 0 400.523 3.569 20 0 HHADRP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000593829941 1075229301 /nfs/dbraw/zinc/22/93/01/1075229301.db2.gz GDVRIJRWALGJFO-PZJWPPBQSA-N 2 0 409.496 3.528 20 0 HHADRP CC[NH+]1CCC(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000574707171 1075316921 /nfs/dbraw/zinc/31/69/21/1075316921.db2.gz XSVQWFPWTRPPQT-UHFFFAOYSA-N 2 0 408.590 3.946 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000575208287 1075485757 /nfs/dbraw/zinc/48/57/57/1075485757.db2.gz CYKGSOYNRPGLOH-QHCPKHFHSA-N 2 0 418.626 3.838 20 0 HHADRP Fc1cccc(N(c2ncccc2C[NH+]2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164646753 719297085 /nfs/dbraw/zinc/29/70/85/719297085.db2.gz BOXRPSMFUOQWQW-VWNXMTODSA-N 2 0 410.537 3.866 20 0 HHADRP c1cc2c[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2[nH]1 ZINC001164754828 720875702 /nfs/dbraw/zinc/87/57/02/720875702.db2.gz SXXXKURLUYNYSP-WIOPSUGQSA-N 2 0 417.557 3.713 20 0 HHADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4[nH]ccc43)C2)C1 ZINC001164777179 721353481 /nfs/dbraw/zinc/35/34/81/721353481.db2.gz DXTLUVSVZPQHFW-QHCPKHFHSA-N 2 0 409.534 3.595 20 0 HHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164795471 721500235 /nfs/dbraw/zinc/50/02/35/721500235.db2.gz ICPZEKAJQTVIFX-UHFFFAOYSA-N 2 0 405.590 3.953 20 0 HHADRP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019582 721802487 /nfs/dbraw/zinc/80/24/87/721802487.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 2 0 406.578 3.517 20 0 HHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)cc1 ZINC001164941842 721933217 /nfs/dbraw/zinc/93/32/17/721933217.db2.gz JYHGPPFZKOVATK-UHFFFAOYSA-N 2 0 420.601 3.857 20 0 HHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164961931 722051386 /nfs/dbraw/zinc/05/13/86/722051386.db2.gz ZDRHVYSMROUJSD-IYXIZZNPSA-N 2 0 421.589 3.929 20 0 HHADRP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301348571 970881244 /nfs/dbraw/zinc/88/12/44/970881244.db2.gz JIBZNMXGEYZFIQ-UHFFFAOYSA-N 2 0 413.472 3.904 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000524244424 1013054784 /nfs/dbraw/zinc/05/47/84/1013054784.db2.gz ZRLLMRJXQKHAED-ONTIZHBOSA-N 2 0 401.595 3.885 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000303011470 971453200 /nfs/dbraw/zinc/45/32/00/971453200.db2.gz OUWUOBACPOXMOY-MZKRTTBSSA-N 2 0 400.611 3.696 20 0 HHADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000542152171 1013087991 /nfs/dbraw/zinc/08/79/91/1013087991.db2.gz JOISHIRTNYQRQZ-HNNXBMFYSA-N 2 0 400.567 3.651 20 0 HHADRP C[C@H](C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303443726 971734635 /nfs/dbraw/zinc/73/46/35/971734635.db2.gz GHPVWIKYKKQYKT-OAQYLSRUSA-N 2 0 405.586 3.804 20 0 HHADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000524300482 1013111862 /nfs/dbraw/zinc/11/18/62/1013111862.db2.gz RVFRQGIXOIVZNB-APWZRJJASA-N 2 0 400.394 3.860 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000303705339 971971583 /nfs/dbraw/zinc/97/15/83/971971583.db2.gz XYTUTLLZSSHYHS-LEWJYISDSA-N 2 0 420.601 3.958 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000303765695 972015869 /nfs/dbraw/zinc/01/58/69/972015869.db2.gz PNYRESSIYWBKCS-IRLDBZIGSA-N 2 0 409.574 3.752 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623163 1013170915 /nfs/dbraw/zinc/17/09/15/1013170915.db2.gz YTQOQDDPPAEMHV-HXUWFJFHSA-N 2 0 401.595 3.630 20 0 HHADRP COc1c(C)cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1C ZINC000537631262 1013184083 /nfs/dbraw/zinc/18/40/83/1013184083.db2.gz PYNDOLHJZHQUTB-UHFFFAOYSA-N 2 0 423.601 3.772 20 0 HHADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843675 1013406748 /nfs/dbraw/zinc/40/67/48/1013406748.db2.gz SNSMOTRRWAKRJJ-IBGZPJMESA-N 2 0 412.553 3.506 20 0 HHADRP Cc1ccc(NC(=O)NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000537845766 1013410733 /nfs/dbraw/zinc/41/07/33/1013410733.db2.gz MSIWIFXXRVXRLR-UHFFFAOYSA-N 2 0 423.561 3.585 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537876000 1013453222 /nfs/dbraw/zinc/45/32/22/1013453222.db2.gz WSMNDQKITFPGPE-YKSBVNFPSA-N 2 0 421.589 3.508 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)c1 ZINC000050136907 964273935 /nfs/dbraw/zinc/27/39/35/964273935.db2.gz YHNSRIQOVQAOKD-NRFANRHFSA-N 2 0 414.619 3.911 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000050137159 964275351 /nfs/dbraw/zinc/27/53/51/964275351.db2.gz INRDCHYKSJUYII-UTKZUKDTSA-N 2 0 418.582 3.701 20 0 HHADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961119 1013540694 /nfs/dbraw/zinc/54/06/94/1013540694.db2.gz XLKDNVSNIPLIAX-KRWDZBQOSA-N 2 0 400.485 3.733 20 0 HHADRP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975617 1013551884 /nfs/dbraw/zinc/55/18/84/1013551884.db2.gz WMWYMRQZYBDNMC-AEFFLSMTSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000537977185 1013553198 /nfs/dbraw/zinc/55/31/98/1013553198.db2.gz XIUTWSFMADKOPM-JXFKEZNVSA-N 2 0 401.938 3.737 20 0 HHADRP COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000537979303 1013555814 /nfs/dbraw/zinc/55/58/14/1013555814.db2.gz AMRQBCDTIVCDTR-PMAPCBKXSA-N 2 0 411.546 3.645 20 0 HHADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889825 965574106 /nfs/dbraw/zinc/57/41/06/965574106.db2.gz HYPXZDKCXROKLB-FQEVSTJZSA-N 2 0 410.606 3.803 20 0 HHADRP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000542725074 1013637062 /nfs/dbraw/zinc/63/70/62/1013637062.db2.gz YJZRPDOMEDINDB-UHFFFAOYSA-N 2 0 413.008 3.807 20 0 HHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000542732608 1013644736 /nfs/dbraw/zinc/64/47/36/1013644736.db2.gz CZVSGMOIXBTZNC-QFIPXVFZSA-N 2 0 404.599 3.882 20 0 HHADRP CCC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cc2Cl)CC1 ZINC000056595156 966387763 /nfs/dbraw/zinc/38/77/63/966387763.db2.gz HXHNHRKKZUNISU-UHFFFAOYSA-N 2 0 420.001 3.620 20 0 HHADRP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000061231694 966404322 /nfs/dbraw/zinc/40/43/22/966404322.db2.gz XAUCSCVBVVJFCQ-WIYYLYMNSA-N 2 0 412.603 3.631 20 0 HHADRP CC(C)(CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000061793467 966557392 /nfs/dbraw/zinc/55/73/92/966557392.db2.gz GVOHLHXWSYIARY-UHFFFAOYSA-N 2 0 404.624 3.664 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000061908024 966578533 /nfs/dbraw/zinc/57/85/33/966578533.db2.gz POSXWANBDLQFFV-UHFFFAOYSA-N 2 0 408.590 3.911 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062466026 966680335 /nfs/dbraw/zinc/68/03/35/966680335.db2.gz TTWRSTRNURRLAQ-OAQYLSRUSA-N 2 0 402.583 3.760 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062487533 966689373 /nfs/dbraw/zinc/68/93/73/966689373.db2.gz QVNMWQYQHJIIBY-HSZRJFAPSA-N 2 0 412.553 3.564 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000062528451 966698309 /nfs/dbraw/zinc/69/83/09/966698309.db2.gz HMJDYRHHPSHCER-UHFFFAOYSA-N 2 0 404.599 3.706 20 0 HHADRP CN(CCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cc[nH+]cc1 ZINC000542784825 1013680983 /nfs/dbraw/zinc/68/09/83/1013680983.db2.gz RCTRJUKKFBQFBB-IERDGZPVSA-N 2 0 404.917 3.510 20 0 HHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000043167038 966922540 /nfs/dbraw/zinc/92/25/40/966922540.db2.gz GGEIGMATQCBCDS-JOCHJYFZSA-N 2 0 410.562 3.642 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)c(C)c2)CC1 ZINC000043521475 966990581 /nfs/dbraw/zinc/99/05/81/966990581.db2.gz ISKRTHXUQGTVEB-UHFFFAOYSA-N 2 0 409.578 3.520 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c2)CC1 ZINC000043523174 966991488 /nfs/dbraw/zinc/99/14/88/966991488.db2.gz AZGQPTQGSSVSDI-UHFFFAOYSA-N 2 0 401.599 3.568 20 0 HHADRP CSC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542846041 1013705063 /nfs/dbraw/zinc/70/50/63/1013705063.db2.gz JFGCHUBGFIMAEB-LJQANCHMSA-N 2 0 403.558 3.973 20 0 HHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000542850554 1013709400 /nfs/dbraw/zinc/70/94/00/1013709400.db2.gz YXESRPITXBBMHA-YJBOKZPZSA-N 2 0 419.363 3.875 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000045975914 967613930 /nfs/dbraw/zinc/61/39/30/967613930.db2.gz VCTDHGMQDHKIDR-FQEVSTJZSA-N 2 0 401.599 3.523 20 0 HHADRP Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000542909088 1013750056 /nfs/dbraw/zinc/75/00/56/1013750056.db2.gz XXTOFADCSJSEET-UHFFFAOYSA-N 2 0 413.349 3.522 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000538207468 1013761157 /nfs/dbraw/zinc/76/11/57/1013761157.db2.gz FJDAQJQXFSTLQW-RTBURBONSA-N 2 0 424.564 3.596 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000538222365 1013772236 /nfs/dbraw/zinc/77/22/36/1013772236.db2.gz AEAZFHVYPFHRLG-UHFFFAOYSA-N 2 0 407.558 3.880 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cc2)CC1 ZINC000538232382 1013780562 /nfs/dbraw/zinc/78/05/62/1013780562.db2.gz BWCZHMWZOJDCRG-UHFFFAOYSA-N 2 0 406.574 3.718 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)O[C@@H](C)C2 ZINC000047609665 968258020 /nfs/dbraw/zinc/25/80/20/968258020.db2.gz YGKLNFGJLJCEJN-GBESFXJTSA-N 2 0 410.558 3.918 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047882566 968351128 /nfs/dbraw/zinc/35/11/28/968351128.db2.gz HFCKTYWFBMVVPI-JOCHJYFZSA-N 2 0 410.562 3.902 20 0 HHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000047976724 968381714 /nfs/dbraw/zinc/38/17/14/968381714.db2.gz RHZQDJDLCUOACI-UHFFFAOYSA-N 2 0 411.590 3.861 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000065742316 968620748 /nfs/dbraw/zinc/62/07/48/968620748.db2.gz XPPOOKCOPPBOQG-UHFFFAOYSA-N 2 0 420.601 3.611 20 0 HHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000065976490 968746981 /nfs/dbraw/zinc/74/69/81/968746981.db2.gz VYSQPLQFLDVVJK-UHFFFAOYSA-N 2 0 406.530 3.978 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292722 1013827932 /nfs/dbraw/zinc/82/79/32/1013827932.db2.gz ALFPUDBILSTEHW-HXUWFJFHSA-N 2 0 404.514 3.857 20 0 HHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052863 969042188 /nfs/dbraw/zinc/04/21/88/969042188.db2.gz MDSZTBACZBIPRX-HXUWFJFHSA-N 2 0 411.615 3.837 20 0 HHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052864 969042303 /nfs/dbraw/zinc/04/23/03/969042303.db2.gz MDSZTBACZBIPRX-FQEVSTJZSA-N 2 0 411.615 3.837 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000097549223 969157720 /nfs/dbraw/zinc/15/77/20/969157720.db2.gz TVXWIIZQHMUYKK-JWQCQUIFSA-N 2 0 405.586 3.579 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000554219078 1013858930 /nfs/dbraw/zinc/85/89/30/1013858930.db2.gz UGPQNSPHEBEOPG-MOPGFXCFSA-N 2 0 404.555 3.626 20 0 HHADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554259694 1013880616 /nfs/dbraw/zinc/88/06/16/1013880616.db2.gz DMAXGLFITWTDLG-WOJBJXKFSA-N 2 0 402.514 3.548 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000111045289 969766773 /nfs/dbraw/zinc/76/67/73/969766773.db2.gz VFWCNQDNTJCOJT-XMMPIXPASA-N 2 0 408.590 3.846 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)NCCCC[NH+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000112680436 969823978 /nfs/dbraw/zinc/82/39/78/969823978.db2.gz OJIQNZHSHLBJLD-JOCHJYFZSA-N 2 0 416.610 3.810 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000116185348 969879117 /nfs/dbraw/zinc/87/91/17/969879117.db2.gz QDZIANRRHDLCRZ-UHFFFAOYSA-N 2 0 409.574 3.933 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236819610 970176666 /nfs/dbraw/zinc/17/66/66/970176666.db2.gz JZAXAVXMERYUDN-QHCPKHFHSA-N 2 0 409.574 3.516 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236866262 970181998 /nfs/dbraw/zinc/18/19/98/970181998.db2.gz PPJVELHZMQLFHY-JXFKEZNVSA-N 2 0 423.395 3.952 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000236952601 970194116 /nfs/dbraw/zinc/19/41/16/970194116.db2.gz FOZOKXAKIFWXPG-GOSISDBHSA-N 2 0 418.029 3.814 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(OCCOC)c2)CC1 ZINC000236985745 970200960 /nfs/dbraw/zinc/20/09/60/970200960.db2.gz GPLTXDKPUSRTMA-IBGZPJMESA-N 2 0 415.553 3.844 20 0 HHADRP CCn1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000237019672 970208077 /nfs/dbraw/zinc/20/80/77/970208077.db2.gz IKLHIYBHMRLABN-UHFFFAOYSA-N 2 0 409.500 3.614 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)cc1 ZINC000237172969 970236095 /nfs/dbraw/zinc/23/60/95/970236095.db2.gz LTOYSFOIPWRSKJ-UHFFFAOYSA-N 2 0 411.493 3.880 20 0 HHADRP COCc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000237255361 970249290 /nfs/dbraw/zinc/24/92/90/970249290.db2.gz AAYLLEHWVAYANF-UHFFFAOYSA-N 2 0 407.480 3.893 20 0 HHADRP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000237398693 970277479 /nfs/dbraw/zinc/27/74/79/970277479.db2.gz UYKPDEUHBHULIR-INIZCTEOSA-N 2 0 424.420 3.520 20 0 HHADRP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237403796 970278289 /nfs/dbraw/zinc/27/82/89/970278289.db2.gz PCJHEHXABYOZDC-HZPDHXFCSA-N 2 0 408.949 3.952 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 ZINC000237404392 970278947 /nfs/dbraw/zinc/27/89/47/970278947.db2.gz DZQOYDMHMVTMKY-IAGOWNOFSA-N 2 0 410.484 3.870 20 0 HHADRP COc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469880 970293699 /nfs/dbraw/zinc/29/36/99/970293699.db2.gz KLOXHRILGYRSDV-XMMPIXPASA-N 2 0 417.553 3.836 20 0 HHADRP COc1ccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469913 970294568 /nfs/dbraw/zinc/29/45/68/970294568.db2.gz KLOXHRILGYRSDV-DEOSSOPVSA-N 2 0 417.553 3.836 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000237779161 970365036 /nfs/dbraw/zinc/36/50/36/970365036.db2.gz JJIFLQLORFIDES-OALUTQOASA-N 2 0 408.521 3.910 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)C1 ZINC000237934834 970399084 /nfs/dbraw/zinc/39/90/84/970399084.db2.gz JWYWCNUGLRFQQT-IBGZPJMESA-N 2 0 405.464 3.693 20 0 HHADRP O=c1[nH]c2ccccc2cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000238163281 970453681 /nfs/dbraw/zinc/45/36/81/970453681.db2.gz SMLHESVXRGVSNR-UHFFFAOYSA-N 2 0 404.558 3.628 20 0 HHADRP COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000255958487 970611248 /nfs/dbraw/zinc/61/12/48/970611248.db2.gz XWGUUOPZAGNVJO-UGKGYDQZSA-N 2 0 416.610 3.642 20 0 HHADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303943 972780696 /nfs/dbraw/zinc/78/06/96/972780696.db2.gz BHEAXQRKRQPIAP-NBHGPNQESA-N 2 0 403.364 3.983 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000398164277 972878196 /nfs/dbraw/zinc/87/81/96/972878196.db2.gz SRXLERZEWMWTEX-TYCQWZJGSA-N 2 0 403.364 3.983 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000410315822 973859577 /nfs/dbraw/zinc/85/95/77/973859577.db2.gz CQRIFNSXABIJFU-HSZRJFAPSA-N 2 0 400.611 3.769 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000410350187 973939163 /nfs/dbraw/zinc/93/91/63/973939163.db2.gz BAVSOTAJLVWIRQ-FQEVSTJZSA-N 2 0 408.590 3.980 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)CCC(F)(F)F ZINC000425973017 974079228 /nfs/dbraw/zinc/07/92/28/974079228.db2.gz FFXXCIUSJOEMFG-UHFFFAOYSA-N 2 0 406.537 3.558 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)C1 ZINC000426012223 974130514 /nfs/dbraw/zinc/13/05/14/974130514.db2.gz CGHFYUATANJIIN-BVYCBKJFSA-N 2 0 409.578 3.921 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426134917 974255870 /nfs/dbraw/zinc/25/58/70/974255870.db2.gz BJMHUCWDMVPPGA-NRFANRHFSA-N 2 0 402.583 3.889 20 0 HHADRP Cc1nc2ccc(C[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2s1 ZINC000426419230 974439761 /nfs/dbraw/zinc/43/97/61/974439761.db2.gz HYOWQKRUXJLFOG-UHFFFAOYSA-N 2 0 402.608 3.521 20 0 HHADRP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426769392 974645836 /nfs/dbraw/zinc/64/58/36/974645836.db2.gz ILXBTJANDXYMPU-ROUUACIJSA-N 2 0 405.558 3.674 20 0 HHADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426830483 974695961 /nfs/dbraw/zinc/69/59/61/974695961.db2.gz YMBRBDHFIOOISK-FKBYEOEOSA-N 2 0 415.622 3.553 20 0 HHADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426837503 974701968 /nfs/dbraw/zinc/70/19/68/974701968.db2.gz YHSIZKDUDQZSNH-HSALFYBXSA-N 2 0 419.585 3.556 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000426884846 974730866 /nfs/dbraw/zinc/73/08/66/974730866.db2.gz WIWDXIKTPYSSPV-UXPWSPDFSA-N 2 0 409.496 3.831 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000428204071 975529181 /nfs/dbraw/zinc/52/91/81/975529181.db2.gz HWMXJODTTPMZFC-ZRBLBEILSA-N 2 0 407.606 3.827 20 0 HHADRP CC(C)O[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000428210575 975534748 /nfs/dbraw/zinc/53/47/48/975534748.db2.gz IXRVCNIYCHTLOG-JOCHJYFZSA-N 2 0 403.611 3.569 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)C1 ZINC000428880605 976171437 /nfs/dbraw/zinc/17/14/37/976171437.db2.gz LFSBEMGARXESJU-INIZCTEOSA-N 2 0 411.493 3.754 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000429080038 976365050 /nfs/dbraw/zinc/36/50/50/976365050.db2.gz XGDBDXJXRZJNBW-UHFFFAOYSA-N 2 0 421.029 3.972 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429434245 976713095 /nfs/dbraw/zinc/71/30/95/976713095.db2.gz HKHIFWCIWSTMAH-HNNXBMFYSA-N 2 0 410.967 3.535 20 0 HHADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000429555911 976824376 /nfs/dbraw/zinc/82/43/76/976824376.db2.gz NUUZUQJTDSCQNV-GOTSBHOMSA-N 2 0 418.528 3.848 20 0 HHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000429694581 976987464 /nfs/dbraw/zinc/98/74/64/976987464.db2.gz FCKUNTVUQAHKRH-DEOSSOPVSA-N 2 0 405.590 3.668 20 0 HHADRP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000430003135 977264117 /nfs/dbraw/zinc/26/41/17/977264117.db2.gz PTFILMHEXIRDIG-PMACEKPBSA-N 2 0 420.557 3.780 20 0 HHADRP CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000430872511 977837781 /nfs/dbraw/zinc/83/77/81/977837781.db2.gz JPKSDRFVKUJDPG-JOCHJYFZSA-N 2 0 420.601 3.702 20 0 HHADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000430932463 977897169 /nfs/dbraw/zinc/89/71/69/977897169.db2.gz YWDGJLVEESLSFA-OAQYLSRUSA-N 2 0 414.638 3.759 20 0 HHADRP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000431138345 978042931 /nfs/dbraw/zinc/04/29/31/978042931.db2.gz MCOQHCUWRGUIOF-UHFFFAOYSA-N 2 0 416.614 3.769 20 0 HHADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431383876 978258338 /nfs/dbraw/zinc/25/83/38/978258338.db2.gz QIUNBIIBPUIZJX-OAQYLSRUSA-N 2 0 400.611 3.805 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792902 978516679 /nfs/dbraw/zinc/51/66/79/978516679.db2.gz XVPILSSJNSRRBZ-GUDVDZBRSA-N 2 0 411.512 3.849 20 0 HHADRP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792903 978516751 /nfs/dbraw/zinc/51/67/51/978516751.db2.gz XVPILSSJNSRRBZ-QRVBRYPASA-N 2 0 411.512 3.849 20 0 HHADRP C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1CCC[C@H](C)C1 ZINC000431920820 978602258 /nfs/dbraw/zinc/60/22/58/978602258.db2.gz VKLDBZDPELXNDY-FCHUYYIVSA-N 2 0 412.622 3.805 20 0 HHADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(c4cccc(Br)c4)C3)CC2)CC1 ZINC000432425648 978807154 /nfs/dbraw/zinc/80/71/54/978807154.db2.gz WFZZCTCRBMBOPH-UHFFFAOYSA-N 2 0 406.412 3.843 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000432805981 978980022 /nfs/dbraw/zinc/98/00/22/978980022.db2.gz RBEWJRUHHKOINA-JOCHJYFZSA-N 2 0 409.578 3.937 20 0 HHADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051628 979052598 /nfs/dbraw/zinc/05/25/98/979052598.db2.gz IBAIOLVQCGBSTE-NRFANRHFSA-N 2 0 421.585 3.688 20 0 HHADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433132341 979090641 /nfs/dbraw/zinc/09/06/41/979090641.db2.gz XAHMPNDLDQMLIY-XMMPIXPASA-N 2 0 424.585 3.561 20 0 HHADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433215105 979147873 /nfs/dbraw/zinc/14/78/73/979147873.db2.gz WXEQHZKJCHUIII-QHCPKHFHSA-N 2 0 424.585 3.813 20 0 HHADRP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000435028412 980581897 /nfs/dbraw/zinc/58/18/97/980581897.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 2 0 410.537 3.725 20 0 HHADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435521263 980916926 /nfs/dbraw/zinc/91/69/26/980916926.db2.gz GJKPJZOGXPMARF-FCEUIQTBSA-N 2 0 424.593 3.585 20 0 HHADRP Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435526398 980920408 /nfs/dbraw/zinc/92/04/08/980920408.db2.gz HTJJEDAMVGUNEQ-QFIPXVFZSA-N 2 0 424.593 3.633 20 0 HHADRP Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000435527373 980921537 /nfs/dbraw/zinc/92/15/37/980921537.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 2 0 424.593 3.634 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000435532020 980925344 /nfs/dbraw/zinc/92/53/44/980925344.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 2 0 424.593 3.587 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)cc2)C[C@H](C)O1 ZINC000436274744 981280526 /nfs/dbraw/zinc/28/05/26/981280526.db2.gz MVUPKEYRSWIGTK-BGYRXZFFSA-N 2 0 422.548 3.970 20 0 HHADRP c1cc(-c2n[nH]cc2C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000436276206 981281140 /nfs/dbraw/zinc/28/11/40/981281140.db2.gz RJDVVHFHBVBRID-UHFFFAOYSA-N 2 0 409.603 3.826 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000436277361 981281523 /nfs/dbraw/zinc/28/15/23/981281523.db2.gz XKPBBGCBSQHSHZ-UHFFFAOYSA-N 2 0 402.542 3.702 20 0 HHADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000436289431 981284926 /nfs/dbraw/zinc/28/49/26/981284926.db2.gz MXICZKRKAYSMEY-QFIPXVFZSA-N 2 0 419.635 3.535 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222936 981637539 /nfs/dbraw/zinc/63/75/39/981637539.db2.gz AUVBMMRQHOIHNX-NRFANRHFSA-N 2 0 415.626 3.626 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448365747 981725798 /nfs/dbraw/zinc/72/57/98/981725798.db2.gz JUQVWUMRZUEICR-WMZHIEFXSA-N 2 0 414.594 3.888 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC000448461686 981795466 /nfs/dbraw/zinc/79/54/66/981795466.db2.gz NGBYUQGICAQBLX-LAUBAEHRSA-N 2 0 407.002 3.676 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000448463824 981797396 /nfs/dbraw/zinc/79/73/96/981797396.db2.gz DRAYJHWYVKWSJP-HSZRJFAPSA-N 2 0 400.611 3.840 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466111 981801175 /nfs/dbraw/zinc/80/11/75/981801175.db2.gz MIGILULBEDXFGB-MISYRCLQSA-N 2 0 402.608 3.543 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000448468167 981806173 /nfs/dbraw/zinc/80/61/73/981806173.db2.gz UMYRMALVNNXQIA-NZQKXSOJSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)[C@H](C)C1 ZINC000448468507 981806691 /nfs/dbraw/zinc/80/66/91/981806691.db2.gz VLBWCCBUGWWFAQ-VIZSFHNOSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000448468725 981806822 /nfs/dbraw/zinc/80/68/22/981806822.db2.gz WGZVCPJFWVKEAG-QTEQDKRBSA-N 2 0 400.611 3.790 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000437634695 982254870 /nfs/dbraw/zinc/25/48/70/982254870.db2.gz MPUJVGXGXTVSLS-HSZRJFAPSA-N 2 0 416.585 3.886 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437644063 982263422 /nfs/dbraw/zinc/26/34/22/982263422.db2.gz USTGNCNNYVBZLJ-QFIPXVFZSA-N 2 0 416.610 3.613 20 0 HHADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460472876 982266206 /nfs/dbraw/zinc/26/62/06/982266206.db2.gz ZLKDIZHHPNGJPA-VXKWHMMOSA-N 2 0 410.606 3.557 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437852039 982409441 /nfs/dbraw/zinc/40/94/41/982409441.db2.gz LREJJROFXZVTKS-JOCHJYFZSA-N 2 0 401.620 3.762 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C[C@H](C)O1 ZINC000438114902 982595173 /nfs/dbraw/zinc/59/51/73/982595173.db2.gz PLYOQCRFOHRSBD-BGYRXZFFSA-N 2 0 414.569 3.782 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000438168960 982628782 /nfs/dbraw/zinc/62/87/82/982628782.db2.gz MKXXQCCQXBTXOV-HXUWFJFHSA-N 2 0 411.550 3.754 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1C ZINC000438180658 982636009 /nfs/dbraw/zinc/63/60/09/982636009.db2.gz TZIQTJJGNCLKPL-UHFFFAOYSA-N 2 0 412.578 3.729 20 0 HHADRP O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451813 983117477 /nfs/dbraw/zinc/11/74/77/983117477.db2.gz TVJLIYYADXNOPH-ZEQRLZLVSA-N 2 0 400.526 3.526 20 0 HHADRP Cc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000438855903 983122191 /nfs/dbraw/zinc/12/21/91/983122191.db2.gz VXYBWYDDGNRSPN-UHFFFAOYSA-N 2 0 424.593 3.587 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467401 983129509 /nfs/dbraw/zinc/12/95/09/983129509.db2.gz OJQNAIXTQGUBQI-QFIPXVFZSA-N 2 0 409.574 3.659 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000438967878 983184788 /nfs/dbraw/zinc/18/47/88/983184788.db2.gz NGLYAYHOQQVYPU-LJQANCHMSA-N 2 0 401.599 3.561 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccc(Br)s3)C3CC3)ccn2)CC1 ZINC000439143935 983271095 /nfs/dbraw/zinc/27/10/95/983271095.db2.gz TWYJAUKTTSMDRC-IBGZPJMESA-N 2 0 421.408 3.898 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000439194329 983303382 /nfs/dbraw/zinc/30/33/82/983303382.db2.gz VCIMWKGCZNRIFN-OAQYLSRUSA-N 2 0 400.592 3.658 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439196526 983304729 /nfs/dbraw/zinc/30/47/29/983304729.db2.gz GOJHJWHXNQLCOQ-HXUWFJFHSA-N 2 0 423.605 3.900 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000439237950 983324263 /nfs/dbraw/zinc/32/42/63/983324263.db2.gz OGGARVGGIIFLJL-OAQYLSRUSA-N 2 0 400.592 3.658 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000439600217 983466700 /nfs/dbraw/zinc/46/67/00/983466700.db2.gz VIMGMMDBIMQDKE-IBGZPJMESA-N 2 0 403.526 3.979 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440180054 983672073 /nfs/dbraw/zinc/67/20/73/983672073.db2.gz QQNPSJXFUMDECP-IEIRFRATSA-N 2 0 415.626 3.807 20 0 HHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000440542856 983789969 /nfs/dbraw/zinc/78/99/69/983789969.db2.gz HQRDAPSBSFLIMR-UHFFFAOYSA-N 2 0 422.573 3.685 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC000440827772 983925937 /nfs/dbraw/zinc/92/59/37/983925937.db2.gz AHFZQMAPNZSPQP-VWRAKTAISA-N 2 0 400.611 3.838 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441032725 984033125 /nfs/dbraw/zinc/03/31/25/984033125.db2.gz LPQTYXRSDVJKRF-UHFFFAOYSA-N 2 0 400.611 3.513 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441337682 984193549 /nfs/dbraw/zinc/19/35/49/984193549.db2.gz BPQQWOREFNAHSG-UHFFFAOYSA-N 2 0 423.630 3.776 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1(C)C ZINC000441368294 984212754 /nfs/dbraw/zinc/21/27/54/984212754.db2.gz SGBNEYPQNVBFNH-UHFFFAOYSA-N 2 0 414.981 3.708 20 0 HHADRP CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000442247481 984768856 /nfs/dbraw/zinc/76/88/56/984768856.db2.gz DNRDMXKWDHDFJJ-DVRPDQNBSA-N 2 0 400.611 3.974 20 0 HHADRP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)c1 ZINC000461877950 984902266 /nfs/dbraw/zinc/90/22/66/984902266.db2.gz WXOUDMMJSVAIDB-UHFFFAOYSA-N 2 0 422.617 3.664 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1(C)C ZINC000442872893 985253731 /nfs/dbraw/zinc/25/37/31/985253731.db2.gz JGAHADKFBITWNC-UHFFFAOYSA-N 2 0 401.545 3.734 20 0 HHADRP COc1ccc(C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878674 985255712 /nfs/dbraw/zinc/25/57/12/985255712.db2.gz UITGMPCGRYKAQQ-XMMPIXPASA-N 2 0 411.590 3.603 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000443011120 985334972 /nfs/dbraw/zinc/33/49/72/985334972.db2.gz GJYHZTGQGBBCNU-XMMPIXPASA-N 2 0 411.509 3.915 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(N3CCC[NH+](C)CC3)c(Cl)c2)no1 ZINC000443200231 985440038 /nfs/dbraw/zinc/44/00/38/985440038.db2.gz GCCBONRAZMVCOK-IYBDPMFKSA-N 2 0 403.958 3.905 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532004 985480466 /nfs/dbraw/zinc/48/04/66/985480466.db2.gz XZPJQMQMJKICHY-RDPSFJRHSA-N 2 0 406.574 3.602 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532002 985480652 /nfs/dbraw/zinc/48/06/52/985480652.db2.gz XZPJQMQMJKICHY-GBXCKJPGSA-N 2 0 406.574 3.602 20 0 HHADRP Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679998 985619036 /nfs/dbraw/zinc/61/90/36/985619036.db2.gz SQIOZHVGARGNDD-UGKGYDQZSA-N 2 0 410.562 3.577 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000462679995 985619092 /nfs/dbraw/zinc/61/90/92/985619092.db2.gz SQIOZHVGARGNDD-DENIHFKCSA-N 2 0 410.562 3.577 20 0 HHADRP CC(C)C[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468016408 985669205 /nfs/dbraw/zinc/66/92/05/985669205.db2.gz IUZIMOBHRFUOPV-CVDCTZTESA-N 2 0 400.611 3.926 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462735471 985680462 /nfs/dbraw/zinc/68/04/62/985680462.db2.gz BHMHBBOYUPRUMK-GOTSBHOMSA-N 2 0 400.611 3.805 20 0 HHADRP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000468060802 985719137 /nfs/dbraw/zinc/71/91/37/985719137.db2.gz SRIXPSLLVNFFJJ-YTFSRNRJSA-N 2 0 409.574 3.988 20 0 HHADRP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443600801 985777633 /nfs/dbraw/zinc/77/76/33/985777633.db2.gz GFODHGDLYDHYGP-IBGZPJMESA-N 2 0 415.578 3.697 20 0 HHADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000443635396 985817436 /nfs/dbraw/zinc/81/74/36/985817436.db2.gz YCWJHWSSSYWQHN-XUZZJYLKSA-N 2 0 414.638 3.703 20 0 HHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1Cc1ccccc1 ZINC000463153212 986124102 /nfs/dbraw/zinc/12/41/02/986124102.db2.gz AUJQGDBIDVLFIR-OFVILXPXSA-N 2 0 407.602 3.786 20 0 HHADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000468450776 986145936 /nfs/dbraw/zinc/14/59/36/986145936.db2.gz PYGJGYDDALSNED-SZPZYZBQSA-N 2 0 420.601 3.816 20 0 HHADRP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000468509830 986211304 /nfs/dbraw/zinc/21/13/04/986211304.db2.gz IIVXHBQNCGPFQK-RBBKRZOGSA-N 2 0 407.606 3.935 20 0 HHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)cc1 ZINC000468762799 986476759 /nfs/dbraw/zinc/47/67/59/986476759.db2.gz AOPVZJXFDAKECM-INIZCTEOSA-N 2 0 421.383 3.545 20 0 HHADRP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1)C1CC1 ZINC000444464105 986646330 /nfs/dbraw/zinc/64/63/30/986646330.db2.gz ZLRJERTXKOQNLL-UHFFFAOYSA-N 2 0 407.558 3.880 20 0 HHADRP COc1ccc(Cn2nc(C)c(C[NH2+]CCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000463736359 986722539 /nfs/dbraw/zinc/72/25/39/986722539.db2.gz OJIGXFFXECYXCC-KDURUIRLSA-N 2 0 414.594 3.536 20 0 HHADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444543193 986733032 /nfs/dbraw/zinc/73/30/32/986733032.db2.gz JAQLUAMJFSKCBY-XMMPIXPASA-N 2 0 421.585 3.742 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000469039557 986749221 /nfs/dbraw/zinc/74/92/21/986749221.db2.gz PIFXHPNKOJVCBI-RXVVDRJESA-N 2 0 412.544 3.537 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000469220081 986942341 /nfs/dbraw/zinc/94/23/41/986942341.db2.gz FCINESBCVUUMQO-WTIAFYNJSA-N 2 0 411.977 3.624 20 0 HHADRP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367108 987064743 /nfs/dbraw/zinc/06/47/43/987064743.db2.gz JKVZYQIGWXERQP-PKTZIBPZSA-N 2 0 412.578 3.586 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000469367776 987065280 /nfs/dbraw/zinc/06/52/80/987065280.db2.gz QRWANKLCHBLQOJ-UHFFFAOYSA-N 2 0 422.617 3.617 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000444989396 987117709 /nfs/dbraw/zinc/11/77/09/987117709.db2.gz RWEYNONMJHNFLP-VWNXMTODSA-N 2 0 410.606 3.557 20 0 HHADRP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000469561820 987231917 /nfs/dbraw/zinc/23/19/17/987231917.db2.gz HTXSLGBVKUEBJI-IYWMVGAKSA-N 2 0 414.594 3.724 20 0 HHADRP CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000469561822 987232130 /nfs/dbraw/zinc/23/21/30/987232130.db2.gz HTXSLGBVKUEBJI-WTGUMLROSA-N 2 0 414.594 3.724 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000469758447 987411787 /nfs/dbraw/zinc/41/17/87/987411787.db2.gz REXAWALTRLBGOI-NHCUHLMSSA-N 2 0 405.586 3.708 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000469758448 987412050 /nfs/dbraw/zinc/41/20/50/987412050.db2.gz REXAWALTRLBGOI-SFTDATJTSA-N 2 0 405.586 3.708 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000469761597 987414973 /nfs/dbraw/zinc/41/49/73/987414973.db2.gz AOJCYXCFGXFKNA-YJBOKZPZSA-N 2 0 416.347 3.518 20 0 HHADRP CCOCCCN1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000469787793 987433051 /nfs/dbraw/zinc/43/30/51/987433051.db2.gz RIFLGBOARPYGQL-XOETXKDRSA-N 2 0 421.434 3.828 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000469794159 987437607 /nfs/dbraw/zinc/43/76/07/987437607.db2.gz NDMDLQMSRCPPOT-IMSXRSKXSA-N 2 0 423.601 3.882 20 0 HHADRP Fc1cc(Br)cc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000445815429 987877709 /nfs/dbraw/zinc/87/77/09/987877709.db2.gz KPODSVDFXQLDSX-UHFFFAOYSA-N 2 0 415.347 3.544 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000463965855 988078514 /nfs/dbraw/zinc/07/85/14/988078514.db2.gz BFDHCIPLMXUFGQ-WOJBJXKFSA-N 2 0 400.592 3.514 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470166748 988080727 /nfs/dbraw/zinc/08/07/27/988080727.db2.gz XUSJHEXQYANTEQ-IBGZPJMESA-N 2 0 414.516 3.729 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000463972358 988084998 /nfs/dbraw/zinc/08/49/98/988084998.db2.gz VYWKAIUOSXLMSK-GPMSIDNRSA-N 2 0 406.621 3.795 20 0 HHADRP CC(C)[NH+](CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000470469312 988457043 /nfs/dbraw/zinc/45/70/43/988457043.db2.gz ZTNKMRRTELJCPJ-NOTZXAQLSA-N 2 0 400.611 3.990 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721912 988747778 /nfs/dbraw/zinc/74/77/78/988747778.db2.gz DKPGWNBOOJNERT-DNQXCXABSA-N 2 0 408.590 3.904 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000470721914 988747862 /nfs/dbraw/zinc/74/78/62/988747862.db2.gz DKPGWNBOOJNERT-ZEQRLZLVSA-N 2 0 408.590 3.904 20 0 HHADRP CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737996 988773318 /nfs/dbraw/zinc/77/33/18/988773318.db2.gz RSBXVYPWAVAJSW-NHCUHLMSSA-N 2 0 400.592 3.657 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)C1 ZINC000470738014 988774669 /nfs/dbraw/zinc/77/46/69/988774669.db2.gz RTUPOORHIKECDX-GBXCKJPGSA-N 2 0 412.622 3.792 20 0 HHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000471041971 989119441 /nfs/dbraw/zinc/11/94/41/989119441.db2.gz FYJPVILYRQPOGG-CQSZACIVSA-N 2 0 400.336 3.581 20 0 HHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000471238594 989383847 /nfs/dbraw/zinc/38/38/47/989383847.db2.gz VLGLOSGNYCVTHP-UHFFFAOYSA-N 2 0 413.993 3.843 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000465076502 989396260 /nfs/dbraw/zinc/39/62/60/989396260.db2.gz MVNYTNZXJDUTPQ-QHCPKHFHSA-N 2 0 400.611 3.518 20 0 HHADRP CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000465258082 989610746 /nfs/dbraw/zinc/61/07/46/989610746.db2.gz NOEXPDFBBMCMKB-UHFFFAOYSA-N 2 0 401.595 3.636 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471507143 989705482 /nfs/dbraw/zinc/70/54/82/989705482.db2.gz WYRZAMPAUBCERX-QFIPXVFZSA-N 2 0 406.574 3.604 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471530994 989730277 /nfs/dbraw/zinc/73/02/77/989730277.db2.gz ZSFNNHKXADWIPL-VWLOTQADSA-N 2 0 420.601 3.994 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC(C)C ZINC000471603317 989807224 /nfs/dbraw/zinc/80/72/24/989807224.db2.gz SOMSMGSVDZIMIX-CTWPCTMYSA-N 2 0 420.564 3.847 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000465477591 989825035 /nfs/dbraw/zinc/82/50/35/989825035.db2.gz PAZHEDOUHRYCDA-SFTDATJTSA-N 2 0 407.002 3.849 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465523679 989876915 /nfs/dbraw/zinc/87/69/15/989876915.db2.gz LGHIIRGVSMOSBH-CTNGQTDRSA-N 2 0 400.592 3.514 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000465530014 989890060 /nfs/dbraw/zinc/89/00/60/989890060.db2.gz XYXNTLFRXBQKCP-QNWVGRARSA-N 2 0 400.611 3.803 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000465531585 989891010 /nfs/dbraw/zinc/89/10/10/989891010.db2.gz BFZPOTQSLCIXGD-QHCPKHFHSA-N 2 0 420.601 3.598 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000465541243 989905101 /nfs/dbraw/zinc/90/51/01/989905101.db2.gz LZWFIYIOWYIPHY-YADHBBJMSA-N 2 0 416.610 3.564 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465542390 989905818 /nfs/dbraw/zinc/90/58/18/989905818.db2.gz KCZSRKAQMLNYOD-RBBKRZOGSA-N 2 0 414.619 3.904 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465542388 989905933 /nfs/dbraw/zinc/90/59/33/989905933.db2.gz KCZSRKAQMLNYOD-IRLDBZIGSA-N 2 0 414.619 3.904 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000465555710 989919013 /nfs/dbraw/zinc/91/90/13/989919013.db2.gz YTUMEWAKMNNPCI-REWPJTCUSA-N 2 0 400.611 3.934 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000471729380 989924778 /nfs/dbraw/zinc/92/47/78/989924778.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 2 0 406.574 3.643 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465579938 989950588 /nfs/dbraw/zinc/95/05/88/989950588.db2.gz PRIWCIRJDAAZGJ-NFBKMPQASA-N 2 0 400.611 3.792 20 0 HHADRP C[N@H+](CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465617852 990003800 /nfs/dbraw/zinc/00/38/00/990003800.db2.gz DPLUOXJESIUMTF-IRLDBZIGSA-N 2 0 414.619 3.952 20 0 HHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465623325 990008810 /nfs/dbraw/zinc/00/88/10/990008810.db2.gz FVEPEYRFWQQPHX-OAQYLSRUSA-N 2 0 407.002 3.820 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000465632449 990018678 /nfs/dbraw/zinc/01/86/78/990018678.db2.gz NUQFQCDREPOLJM-FPOVZHCZSA-N 2 0 400.592 3.692 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000471866682 990038942 /nfs/dbraw/zinc/03/89/42/990038942.db2.gz WJXRILCDMLIWOG-QHCPKHFHSA-N 2 0 416.610 3.740 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000465713088 990098054 /nfs/dbraw/zinc/09/80/54/990098054.db2.gz BBRVDDVTAMUCNE-AYOQOUSVSA-N 2 0 414.516 3.870 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000465773265 990156402 /nfs/dbraw/zinc/15/64/02/990156402.db2.gz BWQOPDLPNDZOII-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP Cc1ccc(C(C)(C)CN(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000465802221 990184097 /nfs/dbraw/zinc/18/40/97/990184097.db2.gz BKJPFBVUTPAPNU-UHFFFAOYSA-N 2 0 423.605 3.521 20 0 HHADRP Cc1ccc([C@@H]2CCCCN2C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000465816454 990199290 /nfs/dbraw/zinc/19/92/90/990199290.db2.gz RGOPWOKAABQVFK-DEOSSOPVSA-N 2 0 421.589 3.839 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000465820546 990203456 /nfs/dbraw/zinc/20/34/56/990203456.db2.gz XWPIDDUSNUAZJM-XZOQPEGZSA-N 2 0 424.589 3.888 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000465824630 990208235 /nfs/dbraw/zinc/20/82/35/990208235.db2.gz ZXVRZLWRABWGIO-VWNXMTODSA-N 2 0 408.590 3.761 20 0 HHADRP CCn1nc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000472044477 990213042 /nfs/dbraw/zinc/21/30/42/990213042.db2.gz TWBNFENTGICAGF-UHFFFAOYSA-N 2 0 405.590 3.744 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000472051820 990218352 /nfs/dbraw/zinc/21/83/52/990218352.db2.gz BIBSPPOHEJQZPB-PSWAGMNNSA-N 2 0 412.622 3.518 20 0 HHADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+](C)Cc1ccccc1 ZINC000465876945 990992675 /nfs/dbraw/zinc/99/26/75/990992675.db2.gz MKYLQSAOZDBVGB-UZKOGDIHSA-N 2 0 414.619 3.951 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000465907279 991036993 /nfs/dbraw/zinc/03/69/93/991036993.db2.gz ILEUQCBDWLIGSE-HXUWFJFHSA-N 2 0 421.029 3.925 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000466054390 991225883 /nfs/dbraw/zinc/22/58/83/991225883.db2.gz WSTFWYIRUIKWQM-WBVHZDCISA-N 2 0 415.409 3.939 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466199558 991396727 /nfs/dbraw/zinc/39/67/27/991396727.db2.gz FDTYNGBGHCYSLR-NTKDMRAZSA-N 2 0 424.564 3.752 20 0 HHADRP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466289119 991537974 /nfs/dbraw/zinc/53/79/74/991537974.db2.gz TXKKXEFOMWEQMS-AGILITTLSA-N 2 0 412.622 3.945 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291960 991541707 /nfs/dbraw/zinc/54/17/07/991541707.db2.gz WQTQVYLTGJWRPR-DNQXCXABSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@@H]([NH2+]Cc1cncc(Br)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000466352487 991616474 /nfs/dbraw/zinc/61/64/74/991616474.db2.gz LMBBBVAPXKDMMY-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466400990 991694644 /nfs/dbraw/zinc/69/46/44/991694644.db2.gz XOUCBBYPDNSRMM-RDPSFJRHSA-N 2 0 406.574 3.745 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000466711483 992024142 /nfs/dbraw/zinc/02/41/42/992024142.db2.gz CFENWYAFICTNGM-NRFANRHFSA-N 2 0 423.601 3.978 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000466728868 992039106 /nfs/dbraw/zinc/03/91/06/992039106.db2.gz QDWGUWIXDLDPAA-FQEVSTJZSA-N 2 0 411.590 3.840 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466796707 992103156 /nfs/dbraw/zinc/10/31/56/992103156.db2.gz RFBAWUKNMMPOAO-YKSBVNFPSA-N 2 0 408.590 3.501 20 0 HHADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466872523 992193406 /nfs/dbraw/zinc/19/34/06/992193406.db2.gz LEXPMDFXKIYXLW-SFTDATJTSA-N 2 0 422.617 3.747 20 0 HHADRP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466936002 992246748 /nfs/dbraw/zinc/24/67/48/992246748.db2.gz ZKTXGRQRUVMCHX-RUZDIDTESA-N 2 0 421.585 3.621 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000466979772 992289911 /nfs/dbraw/zinc/28/99/11/992289911.db2.gz UFAVYNGBBWJDFP-UHFFFAOYSA-N 2 0 408.590 3.776 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467010863 992318602 /nfs/dbraw/zinc/31/86/02/992318602.db2.gz NSTJPUUBWDZUHO-FQEVSTJZSA-N 2 0 408.590 3.816 20 0 HHADRP CC[NH+](CC)Cc1ccc(CNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000467241329 992562510 /nfs/dbraw/zinc/56/25/10/992562510.db2.gz HAZYWCGIFRKKFA-UHFFFAOYSA-N 2 0 422.617 3.665 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc([C@H](C)N3CCOCC3)cc1)CC2 ZINC000467695371 992951983 /nfs/dbraw/zinc/95/19/83/992951983.db2.gz QXKLKWDWDHPDMQ-BWAGFHJFSA-N 2 0 400.567 3.559 20 0 HHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000472265895 993289262 /nfs/dbraw/zinc/28/92/62/993289262.db2.gz PAXUJOKFGWVFRP-HNNXBMFYSA-N 2 0 402.366 3.755 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313977 993325220 /nfs/dbraw/zinc/32/52/20/993325220.db2.gz LEOXRJMTPRVQES-RPWUZVMVSA-N 2 0 412.622 3.662 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472386999 993382514 /nfs/dbraw/zinc/38/25/14/993382514.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 2 0 420.601 3.815 20 0 HHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472452645 993455288 /nfs/dbraw/zinc/45/52/88/993455288.db2.gz MFIGJCKOMTVNRB-UHFFFAOYSA-N 2 0 420.564 3.801 20 0 HHADRP CC(C)[NH+](CCN(C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000472456630 993459159 /nfs/dbraw/zinc/45/91/59/993459159.db2.gz RXXDJDRAKOEOHO-UHFFFAOYSA-N 2 0 406.537 3.552 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757914 993623772 /nfs/dbraw/zinc/62/37/72/993623772.db2.gz REMDZNYMRAMQOA-SFHVURJKSA-N 2 0 403.592 3.628 20 0 HHADRP Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000480759848 993625001 /nfs/dbraw/zinc/62/50/01/993625001.db2.gz PSSWREHEYICWLZ-DYVFJYSZSA-N 2 0 412.315 3.579 20 0 HHADRP Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)N2CCOCC2)c1 ZINC000480773160 993638562 /nfs/dbraw/zinc/63/85/62/993638562.db2.gz IGLTZYASCLRORB-BWKNWUBXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000480783059 993650686 /nfs/dbraw/zinc/65/06/86/993650686.db2.gz YJEOKFGLVDHRAB-NVQXNPDNSA-N 2 0 417.601 3.961 20 0 HHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480911990 993767616 /nfs/dbraw/zinc/76/76/16/993767616.db2.gz PKYRPLCJCVARQF-VQTJNVASSA-N 2 0 407.624 3.634 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000480970944 993811841 /nfs/dbraw/zinc/81/18/41/993811841.db2.gz MBLSRBBMHNAQKR-LAUBAEHRSA-N 2 0 416.541 3.812 20 0 HHADRP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481060415 993901031 /nfs/dbraw/zinc/90/10/31/993901031.db2.gz PVHFRFHLKQHRCC-UHFFFAOYSA-N 2 0 423.601 3.888 20 0 HHADRP C(=C\C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)\C[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157794 994028976 /nfs/dbraw/zinc/02/89/76/994028976.db2.gz GLAGBFCIXIEDBZ-VRUTXKRASA-N 2 0 402.538 3.805 20 0 HHADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c2C1 ZINC000473281368 994130456 /nfs/dbraw/zinc/13/04/56/994130456.db2.gz FLPZQDZANCCWNR-LJQANCHMSA-N 2 0 416.610 3.610 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473517083 994370735 /nfs/dbraw/zinc/37/07/35/994370735.db2.gz GVFUEKJSYTWPOS-CBNMVNINSA-N 2 0 423.523 3.963 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000473516850 994370937 /nfs/dbraw/zinc/37/09/37/994370937.db2.gz FBLXUUSHXLMYFS-UHFFFAOYSA-N 2 0 423.523 3.820 20 0 HHADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481656413 994518429 /nfs/dbraw/zinc/51/84/29/994518429.db2.gz XVBFVBQNTXWNFH-IBGZPJMESA-N 2 0 416.031 3.945 20 0 HHADRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674023 994533693 /nfs/dbraw/zinc/53/36/93/994533693.db2.gz VKQHTYJEMFGUPE-AEFFLSMTSA-N 2 0 404.020 3.655 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481712552 994573768 /nfs/dbraw/zinc/57/37/68/994573768.db2.gz BBIBZGQOBPEVQJ-MRXNPFEDSA-N 2 0 407.605 3.682 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820037 994748544 /nfs/dbraw/zinc/74/85/44/994748544.db2.gz IKQZPDDEBWNKGC-UXHICEINSA-N 2 0 413.610 3.603 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820038 994748683 /nfs/dbraw/zinc/74/86/83/994748683.db2.gz IKQZPDDEBWNKGC-VQTJNVASSA-N 2 0 413.610 3.603 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c2)CC1 ZINC000473825538 994754694 /nfs/dbraw/zinc/75/46/94/994754694.db2.gz WYPMKEYBJBOIOV-HSZRJFAPSA-N 2 0 409.578 3.561 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474004983 994994313 /nfs/dbraw/zinc/99/43/13/994994313.db2.gz KBBDUELSKSLXPK-PMACEKPBSA-N 2 0 400.611 3.564 20 0 HHADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000482119246 995065838 /nfs/dbraw/zinc/06/58/38/995065838.db2.gz GJBCWYCVNNAVNX-OAQYLSRUSA-N 2 0 404.505 3.936 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000482124482 995073145 /nfs/dbraw/zinc/07/31/45/995073145.db2.gz YRNKSDRPOSJHSW-AUSIDOKSSA-N 2 0 410.562 3.561 20 0 HHADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125408 995074827 /nfs/dbraw/zinc/07/48/27/995074827.db2.gz VAPNQTVSAONKKN-YKSBVNFPSA-N 2 0 409.574 3.511 20 0 HHADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000482237171 995220045 /nfs/dbraw/zinc/22/00/45/995220045.db2.gz AIAHSKJEWYVGBQ-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482267069 995245149 /nfs/dbraw/zinc/24/51/49/995245149.db2.gz HXFXKVIDOJILKK-GMAHTHKFSA-N 2 0 412.622 3.945 20 0 HHADRP COc1ccc2nc(C[NH2+]CCCN3CC[N@H+](C)C[C@H]3c3ccccc3)sc2c1 ZINC000474367596 995347623 /nfs/dbraw/zinc/34/76/23/995347623.db2.gz FGYSYUUNPIOFQX-NRFANRHFSA-N 2 0 410.587 3.773 20 0 HHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000474475535 995435177 /nfs/dbraw/zinc/43/51/77/995435177.db2.gz MTILAXIZHHKOSY-RBUKOAKNSA-N 2 0 412.574 3.942 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4cnn(C)c4)nc3)cc2)C1 ZINC000474487930 995445759 /nfs/dbraw/zinc/44/57/59/995445759.db2.gz WLKVZSUROHNUNP-RTBURBONSA-N 2 0 404.562 3.645 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Br)s1 ZINC000482455592 995456101 /nfs/dbraw/zinc/45/61/01/995456101.db2.gz QEJDKBJPIOINRU-HNNXBMFYSA-N 2 0 424.412 3.554 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000474527382 995492946 /nfs/dbraw/zinc/49/29/46/995492946.db2.gz XIMZWMIXPYFMHZ-VIZSFHNOSA-N 2 0 412.622 3.516 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482516815 995527219 /nfs/dbraw/zinc/52/72/19/995527219.db2.gz YYLZKEURTGIQND-VQIMIIECSA-N 2 0 410.400 3.526 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000482543534 995551787 /nfs/dbraw/zinc/55/17/87/995551787.db2.gz OFBDHSYELPKUHU-SFHVURJKSA-N 2 0 407.624 3.680 20 0 HHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482544388 995552933 /nfs/dbraw/zinc/55/29/33/995552933.db2.gz RWLSFMVNSHUDMT-LPHOPBHVSA-N 2 0 400.592 3.665 20 0 HHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC3)cc1 ZINC000482550386 995558191 /nfs/dbraw/zinc/55/81/91/995558191.db2.gz QGWWYLVDJSKVDX-MOPGFXCFSA-N 2 0 412.603 3.673 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000482563776 995569957 /nfs/dbraw/zinc/56/99/57/995569957.db2.gz ZTGWZCRNVVYNJZ-RTBURBONSA-N 2 0 422.552 3.960 20 0 HHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CCC3)cc1 ZINC000482566616 995571464 /nfs/dbraw/zinc/57/14/64/995571464.db2.gz NRSSKKMYLJNFQN-FQEVSTJZSA-N 2 0 414.619 3.813 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482584436 995586498 /nfs/dbraw/zinc/58/64/98/995586498.db2.gz WGDFLWAVUZXJIK-RPWUZVMVSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633331 995627347 /nfs/dbraw/zinc/62/73/47/995627347.db2.gz QHTHYRFSUVYDTR-ISKFKSNPSA-N 2 0 411.565 3.880 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636707 995631249 /nfs/dbraw/zinc/63/12/49/995631249.db2.gz WPFFCURTADBJSQ-JTHBVZDNSA-N 2 0 419.569 3.920 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482636316 995631320 /nfs/dbraw/zinc/63/13/20/995631320.db2.gz VTZTWMMASDBBBR-QFBILLFUSA-N 2 0 408.571 3.844 20 0 HHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482644425 995639352 /nfs/dbraw/zinc/63/93/52/995639352.db2.gz VBSJYGCCJWREHK-JTHBVZDNSA-N 2 0 407.558 3.696 20 0 HHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCS(=O)(=O)CC1 ZINC000474716199 995654314 /nfs/dbraw/zinc/65/43/14/995654314.db2.gz XDBULQZRKYOUBM-FQEVSTJZSA-N 2 0 406.636 3.524 20 0 HHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000482745442 995721021 /nfs/dbraw/zinc/72/10/21/995721021.db2.gz WASXFGBEPOWNAW-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)oc1C ZINC000482870839 995806172 /nfs/dbraw/zinc/80/61/72/995806172.db2.gz QBMKKGMIHPOEGF-SFHVURJKSA-N 2 0 410.562 3.981 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475120926 995935502 /nfs/dbraw/zinc/93/55/02/995935502.db2.gz SCSNUDDTPOUGNP-UHFFFAOYSA-N 2 0 412.622 3.995 20 0 HHADRP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475130707 995941556 /nfs/dbraw/zinc/94/15/56/995941556.db2.gz QPDSBHJPKBVCEM-RPWUZVMVSA-N 2 0 406.574 3.739 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475138298 995947349 /nfs/dbraw/zinc/94/73/49/995947349.db2.gz UWVPYBFKTGLGRF-AREMUKBSSA-N 2 0 420.601 3.946 20 0 HHADRP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475175426 995972581 /nfs/dbraw/zinc/97/25/81/995972581.db2.gz XYBBPTXNTBINFA-SFTDATJTSA-N 2 0 400.592 3.657 20 0 HHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000483231807 996050465 /nfs/dbraw/zinc/05/04/65/996050465.db2.gz GCNFIBPUNIIQTI-MOPGFXCFSA-N 2 0 402.583 3.712 20 0 HHADRP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000483238316 996053969 /nfs/dbraw/zinc/05/39/69/996053969.db2.gz WQKMZAOXKJPFAZ-KWOQKUFVSA-N 2 0 412.622 3.849 20 0 HHADRP CC(C)[N@@H+]1CCc2nc(CNC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)sc2C1 ZINC000475351175 996084227 /nfs/dbraw/zinc/08/42/27/996084227.db2.gz KYDMWNLMCOYXQD-UHFFFAOYSA-N 2 0 416.557 3.805 20 0 HHADRP CS[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483387983 996144829 /nfs/dbraw/zinc/14/48/29/996144829.db2.gz CTKMPEZWGCKMDR-RPWUZVMVSA-N 2 0 423.626 3.970 20 0 HHADRP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483409617 996159820 /nfs/dbraw/zinc/15/98/20/996159820.db2.gz ULFNQXYRRXRIIB-INIZCTEOSA-N 2 0 411.512 3.701 20 0 HHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000483550222 996244969 /nfs/dbraw/zinc/24/49/69/996244969.db2.gz ZVYGJVCAFYYKOM-IBGZPJMESA-N 2 0 413.610 3.571 20 0 HHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000483550223 996245459 /nfs/dbraw/zinc/24/54/59/996245459.db2.gz ZVYGJVCAFYYKOM-LJQANCHMSA-N 2 0 413.610 3.571 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000483660370 996314043 /nfs/dbraw/zinc/31/40/43/996314043.db2.gz JXYHTCIVJDRYMP-UHFFFAOYSA-N 2 0 418.651 3.689 20 0 HHADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475736927 996335723 /nfs/dbraw/zinc/33/57/23/996335723.db2.gz XYYUOGGBNRBXBD-AZGAKELHSA-N 2 0 424.585 3.561 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483711354 996343420 /nfs/dbraw/zinc/34/34/20/996343420.db2.gz NOUKQDYMCJUKKT-VIZSFHNOSA-N 2 0 400.611 3.933 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cccs1 ZINC000483801208 996396396 /nfs/dbraw/zinc/39/63/96/996396396.db2.gz DRVNICZJLLMURP-DYESRHJHSA-N 2 0 404.624 3.837 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483834082 996416480 /nfs/dbraw/zinc/41/64/80/996416480.db2.gz ZFRUQYVBQKOZGU-FQEVSTJZSA-N 2 0 410.672 3.692 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000484285437 996679284 /nfs/dbraw/zinc/67/92/84/996679284.db2.gz BOPRRFGGUUZUIT-LJQANCHMSA-N 2 0 407.986 3.770 20 0 HHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000484295240 996685208 /nfs/dbraw/zinc/68/52/08/996685208.db2.gz VEMIHNNTYPKLDE-RCZSKKKRSA-N 2 0 407.624 3.778 20 0 HHADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000484307938 996692934 /nfs/dbraw/zinc/69/29/34/996692934.db2.gz LPXSHYOBABVORH-INIZCTEOSA-N 2 0 411.537 3.874 20 0 HHADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000484309173 996694003 /nfs/dbraw/zinc/69/40/03/996694003.db2.gz HITKGNSMZUANHP-OAQYLSRUSA-N 2 0 404.599 3.639 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000484501986 996829434 /nfs/dbraw/zinc/82/94/34/996829434.db2.gz NAFAEQZHJUFATI-LJQANCHMSA-N 2 0 407.558 3.621 20 0 HHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000484716790 997057166 /nfs/dbraw/zinc/05/71/66/997057166.db2.gz VMIBHKSLZPPNBK-SJBKTWHCSA-N 2 0 423.605 3.589 20 0 HHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1C ZINC000485016568 997381572 /nfs/dbraw/zinc/38/15/72/997381572.db2.gz KNAWDDVSJRMYEZ-WIYYLYMNSA-N 2 0 404.624 3.614 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485097708 997473970 /nfs/dbraw/zinc/47/39/70/997473970.db2.gz YVOLXTWAQXKDAS-SFTDATJTSA-N 2 0 401.595 3.843 20 0 HHADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476981921 997602828 /nfs/dbraw/zinc/60/28/28/997602828.db2.gz IUEDKVGNCVNKRF-NFBKMPQASA-N 2 0 404.595 3.549 20 0 HHADRP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)[NH+]2CCCCC2)cc1 ZINC000477218152 997891531 /nfs/dbraw/zinc/89/15/31/997891531.db2.gz FXNVLSMUNWVVQS-UKILVPOCSA-N 2 0 421.585 3.828 20 0 HHADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000477314945 998002943 /nfs/dbraw/zinc/00/29/43/998002943.db2.gz FLHWTPBAUHCWSA-CWAQXLGLSA-N 2 0 410.606 3.699 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000485965947 998406479 /nfs/dbraw/zinc/40/64/79/998406479.db2.gz IIXFJYRMWRPNPJ-QZTJIDSGSA-N 2 0 417.541 3.642 20 0 HHADRP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1ccc(F)c(F)c1 ZINC000477941259 998670837 /nfs/dbraw/zinc/67/08/37/998670837.db2.gz RYUAGEBRTXEKTE-FBHSLPMESA-N 2 0 400.513 3.616 20 0 HHADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000477968278 998688734 /nfs/dbraw/zinc/68/87/34/998688734.db2.gz QTFXVQVMJVXBOM-KNQAVFIVSA-N 2 0 400.567 3.642 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccs1 ZINC000478031565 998723959 /nfs/dbraw/zinc/72/39/59/998723959.db2.gz VFOXQDKYZXCQKS-VQTJNVASSA-N 2 0 400.592 3.561 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478307945 998877701 /nfs/dbraw/zinc/87/77/01/998877701.db2.gz DJSGSLXTIJUETR-UHFFFAOYSA-N 2 0 404.002 3.550 20 0 HHADRP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000487094718 999061051 /nfs/dbraw/zinc/06/10/51/999061051.db2.gz RDEZUHXKGDOYOV-FOIQADDNSA-N 2 0 404.505 3.607 20 0 HHADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000478791383 999142680 /nfs/dbraw/zinc/14/26/80/999142680.db2.gz DJGSAJDEQWJWAT-NFBKMPQASA-N 2 0 424.589 3.604 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000478840196 999170637 /nfs/dbraw/zinc/17/06/37/999170637.db2.gz PQGIUNSXOOIHFT-QHCPKHFHSA-N 2 0 412.578 3.638 20 0 HHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+](C)C ZINC000487759257 999279359 /nfs/dbraw/zinc/27/93/59/999279359.db2.gz YXHDBIWDVGHJRV-XXBNENTESA-N 2 0 400.611 3.940 20 0 HHADRP CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000479073366 999281006 /nfs/dbraw/zinc/28/10/06/999281006.db2.gz XUFUTZMPOHJVQL-GOTSBHOMSA-N 2 0 412.622 3.805 20 0 HHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479075514 999282278 /nfs/dbraw/zinc/28/22/78/999282278.db2.gz IKPVTRNRYDQNLT-VWLOTQADSA-N 2 0 416.569 3.996 20 0 HHADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488014269 999348978 /nfs/dbraw/zinc/34/89/78/999348978.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 2 0 406.574 3.642 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479283898 999364520 /nfs/dbraw/zinc/36/45/20/999364520.db2.gz PGRZFSNYTFNTOD-STQMWFEESA-N 2 0 408.306 3.754 20 0 HHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488077176 999368974 /nfs/dbraw/zinc/36/89/74/999368974.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 2 0 408.590 3.717 20 0 HHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000479442557 999419577 /nfs/dbraw/zinc/41/95/77/999419577.db2.gz DEXDOIQXVDDYIG-DEOSSOPVSA-N 2 0 403.526 3.614 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478535 999434938 /nfs/dbraw/zinc/43/49/38/999434938.db2.gz NKIZRSBLBKBERQ-CMTQZCSUSA-N 2 0 405.549 3.518 20 0 HHADRP C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000479488944 999440349 /nfs/dbraw/zinc/44/03/49/999440349.db2.gz LMLKCZKUHAGEAB-NLNFPOJYSA-N 2 0 419.513 3.514 20 0 HHADRP COc1c(Br)cccc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000479553998 999475091 /nfs/dbraw/zinc/47/50/91/999475091.db2.gz AHGHMPSWFQFKRV-UHFFFAOYSA-N 2 0 407.352 3.730 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000488478905 999501603 /nfs/dbraw/zinc/50/16/03/999501603.db2.gz NNVZXSAZVSDLPC-NTKDMRAZSA-N 2 0 400.526 3.888 20 0 HHADRP c1n[nH]cc1C1CC[NH+](Cc2cccc(C[NH+]3CCC(c4cn[nH]c4)CC3)c2)CC1 ZINC000488675656 999567973 /nfs/dbraw/zinc/56/79/73/999567973.db2.gz UBQSAWPYXOUSHV-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP COc1cc2c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc[nH+]c2cc1F ZINC000479959036 999663462 /nfs/dbraw/zinc/66/34/62/999663462.db2.gz DOSILEPPYMUAAI-SFHVURJKSA-N 2 0 422.504 3.692 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000489196681 999720374 /nfs/dbraw/zinc/72/03/74/999720374.db2.gz LKIJVRHRJQOMRF-UHFFFAOYSA-N 2 0 406.640 3.868 20 0 HHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489236147 999728104 /nfs/dbraw/zinc/72/81/04/999728104.db2.gz RTUUTEVSLZPOOY-HSZRJFAPSA-N 2 0 400.611 3.947 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000480164403 999734637 /nfs/dbraw/zinc/73/46/37/999734637.db2.gz LJFLKZOXIJMWOX-GOSISDBHSA-N 2 0 401.576 3.895 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1S(C)(=O)=O ZINC000480169745 999735710 /nfs/dbraw/zinc/73/57/10/999735710.db2.gz XGWLEZKUTFBJNP-KRWDZBQOSA-N 2 0 402.560 3.545 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)c1 ZINC000480176477 999737006 /nfs/dbraw/zinc/73/70/06/999737006.db2.gz DXGLPXSSOQGHNU-QFIPXVFZSA-N 2 0 418.589 3.829 20 0 HHADRP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747346 /nfs/dbraw/zinc/74/73/46/999747346.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 2 0 420.601 3.957 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000489530365 999785569 /nfs/dbraw/zinc/78/55/69/999785569.db2.gz LZGABVWSEMATAQ-CVDCTZTESA-N 2 0 410.562 3.659 20 0 HHADRP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387204 999786684 /nfs/dbraw/zinc/78/66/84/999786684.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 2 0 408.586 3.878 20 0 HHADRP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC2 ZINC000480461739 999804475 /nfs/dbraw/zinc/80/44/75/999804475.db2.gz AICAXKADIHNHML-SFHVURJKSA-N 2 0 401.986 3.516 20 0 HHADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631687 999806555 /nfs/dbraw/zinc/80/65/55/999806555.db2.gz DYXGGSRDMAUDMN-YKSBVNFPSA-N 2 0 421.585 3.859 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489682931 999816874 /nfs/dbraw/zinc/81/68/74/999816874.db2.gz ZKJIFZBEQHLCES-LJQANCHMSA-N 2 0 422.573 3.816 20 0 HHADRP CC(C)[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000480536829 999821087 /nfs/dbraw/zinc/82/10/87/999821087.db2.gz DJPROJNFQJTUQW-RBUKOAKNSA-N 2 0 410.400 3.524 20 0 HHADRP c1c[nH]c([C@H]2CCC[NH+](Cc3cccc(C[N@@H+]4CCC[C@H](c5ncc[nH]5)C4)c3)C2)n1 ZINC000489735806 999827907 /nfs/dbraw/zinc/82/79/07/999827907.db2.gz GUDJQTUJUXHRIX-VXKWHMMOSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000489748315 999830253 /nfs/dbraw/zinc/83/02/53/999830253.db2.gz SVCRWWTZCMULTF-QZNHQXDQSA-N 2 0 412.622 3.803 20 0 HHADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000480600799 999837586 /nfs/dbraw/zinc/83/75/86/999837586.db2.gz LVDTUCXMTBSIDA-MOPGFXCFSA-N 2 0 415.603 3.677 20 0 HHADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000480608998 999839796 /nfs/dbraw/zinc/83/97/96/999839796.db2.gz IMBOPKNPNGRGIQ-OALUTQOASA-N 2 0 415.603 3.820 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480615116 999841909 /nfs/dbraw/zinc/84/19/09/999841909.db2.gz LQYLZEISWSTFKT-SFHVURJKSA-N 2 0 413.537 3.722 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000480615114 999841992 /nfs/dbraw/zinc/84/19/92/999841992.db2.gz LQYLZEISWSTFKT-GOSISDBHSA-N 2 0 413.537 3.722 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844557 999848141 /nfs/dbraw/zinc/84/81/41/999848141.db2.gz YBABQMZSMOTRCF-QPPBQGQZSA-N 2 0 408.590 3.670 20 0 HHADRP CC(C)c1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000480671726 999855444 /nfs/dbraw/zinc/85/54/44/999855444.db2.gz FNVSEZUIGGRWIM-LJQANCHMSA-N 2 0 417.619 3.891 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4ccc(Cl)cc43)cn2)CC1 ZINC000480685531 999858913 /nfs/dbraw/zinc/85/89/13/999858913.db2.gz AFYBJRHIRKFVND-HXUWFJFHSA-N 2 0 400.954 3.880 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695398 999861414 /nfs/dbraw/zinc/86/14/14/999861414.db2.gz JOSDBVHEBRKZET-VAMGGRTRSA-N 2 0 404.562 3.991 20 0 HHADRP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000490953758 1000027110 /nfs/dbraw/zinc/02/71/10/1000027110.db2.gz XBNZOTFVRRSMOR-OALUTQOASA-N 2 0 404.624 3.662 20 0 HHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000491011551 1000033987 /nfs/dbraw/zinc/03/39/87/1000033987.db2.gz WACCVWCKMJZJTL-AVRDEDQJSA-N 2 0 403.517 3.851 20 0 HHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000491034694 1000037336 /nfs/dbraw/zinc/03/73/36/1000037336.db2.gz SXPVZSPNRQALMU-IIBYNOLFSA-N 2 0 420.370 3.903 20 0 HHADRP c1ccc(C([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000491038467 1000038044 /nfs/dbraw/zinc/03/80/44/1000038044.db2.gz PULFRBUWOIIGLB-UHFFFAOYSA-N 2 0 401.558 3.758 20 0 HHADRP COc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491061123 1000041150 /nfs/dbraw/zinc/04/11/50/1000041150.db2.gz PVICVIPQTMBMNU-FDDCHVKYSA-N 2 0 401.982 3.911 20 0 HHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000491309038 1000063421 /nfs/dbraw/zinc/06/34/21/1000063421.db2.gz VMGWSOIPESGBAV-VWLOTQADSA-N 2 0 402.542 3.721 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000492578501 1000133419 /nfs/dbraw/zinc/13/34/19/1000133419.db2.gz IEUVMCREKNTGDZ-BGWNEDDSSA-N 2 0 408.590 3.542 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000492876354 1000147629 /nfs/dbraw/zinc/14/76/29/1000147629.db2.gz PRDZMNDUNUWUBY-UHFFFAOYSA-N 2 0 423.601 3.663 20 0 HHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000493967085 1000242315 /nfs/dbraw/zinc/24/23/15/1000242315.db2.gz DZMFYRVXUJIZPX-QHCPKHFHSA-N 2 0 401.982 3.955 20 0 HHADRP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978614 1000249817 /nfs/dbraw/zinc/24/98/17/1000249817.db2.gz TWMVMCWPDYSDSQ-RBBKRZOGSA-N 2 0 415.965 3.515 20 0 HHADRP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000493978611 1000250119 /nfs/dbraw/zinc/25/01/19/1000250119.db2.gz TWMVMCWPDYSDSQ-IFMALSPDSA-N 2 0 415.965 3.515 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504653616 1000310406 /nfs/dbraw/zinc/31/04/06/1000310406.db2.gz DXJWLIFYGNXIDU-NRFANRHFSA-N 2 0 411.512 3.679 20 0 HHADRP CC(C)[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504816891 1000382856 /nfs/dbraw/zinc/38/28/56/1000382856.db2.gz FXZIXZJAJYUXHT-DEOSSOPVSA-N 2 0 424.589 3.831 20 0 HHADRP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000504922428 1000449416 /nfs/dbraw/zinc/44/94/16/1000449416.db2.gz AWQOIINGRAUENT-HXUWFJFHSA-N 2 0 406.574 3.528 20 0 HHADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000505137511 1000570793 /nfs/dbraw/zinc/57/07/93/1000570793.db2.gz ZNSHWTVHDMTCMU-FQEVSTJZSA-N 2 0 415.419 3.660 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cn2)CC1 ZINC000494922121 1000731557 /nfs/dbraw/zinc/73/15/57/1000731557.db2.gz NNEZHKMEGOUFIY-AUSIDOKSSA-N 2 0 412.553 3.620 20 0 HHADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000495184490 1000906016 /nfs/dbraw/zinc/90/60/16/1000906016.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 2 0 409.496 3.755 20 0 HHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3cccnc3)c3cccc(Cl)c3)cn2)CC1 ZINC000495261035 1000943135 /nfs/dbraw/zinc/94/31/35/1000943135.db2.gz UCGMCHOREDWDLC-HSZRJFAPSA-N 2 0 421.976 3.955 20 0 HHADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505691510 1000977411 /nfs/dbraw/zinc/97/74/11/1000977411.db2.gz HGKVPWXWQMWBFN-UXHICEINSA-N 2 0 424.511 3.550 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000505761459 1001010718 /nfs/dbraw/zinc/01/07/18/1001010718.db2.gz HAPAMEHLFOMFPR-RCZVLFRGSA-N 2 0 422.573 3.724 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495434207 1001011753 /nfs/dbraw/zinc/01/17/53/1001011753.db2.gz QRNOZASETIEKPM-WAOWUJCRSA-N 2 0 401.576 3.619 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cccs1 ZINC000505766047 1001012388 /nfs/dbraw/zinc/01/23/88/1001012388.db2.gz KTBPNLWBGGHXNR-NZQKXSOJSA-N 2 0 412.603 3.658 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000505801637 1001033769 /nfs/dbraw/zinc/03/37/69/1001033769.db2.gz KUXBCQKULSOXRN-HXUWFJFHSA-N 2 0 412.603 3.721 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000505801636 1001033979 /nfs/dbraw/zinc/03/39/79/1001033979.db2.gz KUXBCQKULSOXRN-FQEVSTJZSA-N 2 0 412.603 3.721 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000506166040 1001257537 /nfs/dbraw/zinc/25/75/37/1001257537.db2.gz HKAXOZULZVUSIP-QFIPXVFZSA-N 2 0 404.574 3.726 20 0 HHADRP COc1cccc(CNC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497276396 1001285798 /nfs/dbraw/zinc/28/57/98/1001285798.db2.gz OASAMNVEBGYASM-HXUWFJFHSA-N 2 0 409.574 3.866 20 0 HHADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000506474439 1001428734 /nfs/dbraw/zinc/42/87/34/1001428734.db2.gz MTXLTYIIPLWZFY-LJQANCHMSA-N 2 0 413.484 3.744 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446129 /nfs/dbraw/zinc/44/61/29/1001446129.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 2 0 407.549 3.915 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744917 1001511628 /nfs/dbraw/zinc/51/16/28/1001511628.db2.gz UQMJVTVUDCSRML-OAQYLSRUSA-N 2 0 405.533 3.621 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCCC[NH+]3CCCC[C@@H]3C)CC[N@@H+]2C2CC2)c1 ZINC000498114142 1001646602 /nfs/dbraw/zinc/64/66/02/1001646602.db2.gz LNXVNUNFPFQFLJ-OFAXGOBFSA-N 2 0 414.594 3.537 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000498121461 1001650436 /nfs/dbraw/zinc/65/04/36/1001650436.db2.gz QOFXOPFBGVZHPM-CKUXNOBLSA-N 2 0 424.589 3.508 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000498158217 1001667745 /nfs/dbraw/zinc/66/77/45/1001667745.db2.gz YEIVMKJIDIWWKC-KZTDQWPFSA-N 2 0 412.622 3.790 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000498166285 1001671287 /nfs/dbraw/zinc/67/12/87/1001671287.db2.gz NNHWPACMVRLJCC-NRSPTQNISA-N 2 0 404.986 3.603 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)NCCC[NH2+]C3CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000498555054 1001969631 /nfs/dbraw/zinc/96/96/31/1001969631.db2.gz NYJTZPHSYUZCEI-GOTSBHOMSA-N 2 0 414.594 3.585 20 0 HHADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000507427868 1002066957 /nfs/dbraw/zinc/06/69/57/1002066957.db2.gz ZJPYGDKYNNAYTJ-NRFANRHFSA-N 2 0 404.551 3.640 20 0 HHADRP Cc1ccc([C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000507472483 1002091392 /nfs/dbraw/zinc/09/13/92/1002091392.db2.gz FDEFACXOZXGKNY-JOCHJYFZSA-N 2 0 400.588 3.809 20 0 HHADRP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccc(Br)c1 ZINC000507488535 1002102116 /nfs/dbraw/zinc/10/21/16/1002102116.db2.gz VAKXSQQHSRLCDO-ZDFPQIBNSA-N 2 0 415.375 3.983 20 0 HHADRP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507505478 1002117214 /nfs/dbraw/zinc/11/72/14/1002117214.db2.gz DUKKHUMGKGEXTF-NQQQLTFYSA-N 2 0 400.513 3.724 20 0 HHADRP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000507513875 1002125133 /nfs/dbraw/zinc/12/51/33/1002125133.db2.gz RTOBICLHCSPRRE-NQHRYMMQSA-N 2 0 424.633 3.993 20 0 HHADRP COC1CC[NH+](C2(CN[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CCCC2)CC1 ZINC000507537427 1002145922 /nfs/dbraw/zinc/14/59/22/1002145922.db2.gz YBGIBMONPAOFFR-ZKMPZPQNSA-N 2 0 411.634 3.910 20 0 HHADRP C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000498798961 1002184447 /nfs/dbraw/zinc/18/44/47/1002184447.db2.gz MHUAVBQMFLFMIV-CWLKWCNXSA-N 2 0 403.533 3.664 20 0 HHADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691077 1002283602 /nfs/dbraw/zinc/28/36/02/1002283602.db2.gz YNDHSWZYMACYMP-NRFANRHFSA-N 2 0 417.500 3.723 20 0 HHADRP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000499237858 1002627980 /nfs/dbraw/zinc/62/79/80/1002627980.db2.gz PFWJDZLYDUXICL-CWTOASCOSA-N 2 0 419.613 3.715 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000499510522 1002899752 /nfs/dbraw/zinc/89/97/52/1002899752.db2.gz WIEHDEBPRCBTPO-IBGZPJMESA-N 2 0 400.592 3.607 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700494 1003137872 /nfs/dbraw/zinc/13/78/72/1003137872.db2.gz QTAGLROPBVQURF-OPXMRZJTSA-N 2 0 421.585 3.596 20 0 HHADRP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508700490 1003137975 /nfs/dbraw/zinc/13/79/75/1003137975.db2.gz QTAGLROPBVQURF-KSNOWIBYSA-N 2 0 421.585 3.596 20 0 HHADRP C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508712679 1003150953 /nfs/dbraw/zinc/15/09/53/1003150953.db2.gz ROMYTALSLJVDQV-IFMALSPDSA-N 2 0 412.622 3.993 20 0 HHADRP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716822 1003156308 /nfs/dbraw/zinc/15/63/08/1003156308.db2.gz LFJRDIGJZYALLF-QUURXOELSA-N 2 0 411.565 3.699 20 0 HHADRP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722295 1003162471 /nfs/dbraw/zinc/16/24/71/1003162471.db2.gz XBPUZPKKHFTBIO-QQSVUBKYSA-N 2 0 423.601 3.569 20 0 HHADRP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730265 1003170038 /nfs/dbraw/zinc/17/00/38/1003170038.db2.gz OCJQYWRVAWRNRP-CCDWMCETSA-N 2 0 401.558 3.717 20 0 HHADRP c1ncn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730266 1003170168 /nfs/dbraw/zinc/17/01/68/1003170168.db2.gz OCJQYWRVAWRNRP-GVAUOCQISA-N 2 0 401.558 3.717 20 0 HHADRP C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508849353 1003270252 /nfs/dbraw/zinc/27/02/52/1003270252.db2.gz BMWXPMJUUJYWOU-FJIJXJHWSA-N 2 0 408.590 3.841 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000508883284 1003306325 /nfs/dbraw/zinc/30/63/25/1003306325.db2.gz VGSXTIQXWPWZBU-JTSKRJEESA-N 2 0 418.532 3.729 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894898 1003325430 /nfs/dbraw/zinc/32/54/30/1003325430.db2.gz ONCUEROBNHKBTE-BKSPAHHJSA-N 2 0 416.606 3.956 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000500012723 1003338841 /nfs/dbraw/zinc/33/88/41/1003338841.db2.gz DLGCGPUJGVSDES-UHFFFAOYSA-N 2 0 424.545 3.891 20 0 HHADRP CC(C)(C)c1ccc(CCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000500013821 1003340803 /nfs/dbraw/zinc/34/08/03/1003340803.db2.gz ZNSAKWHVOQPURM-UHFFFAOYSA-N 2 0 408.590 3.640 20 0 HHADRP C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508915244 1003354285 /nfs/dbraw/zinc/35/42/85/1003354285.db2.gz FFJVFRBPKAZFHZ-GBXCKJPGSA-N 2 0 408.590 3.984 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508924446 1003364640 /nfs/dbraw/zinc/36/46/40/1003364640.db2.gz PPSRNADXDIGZRE-PGRDOPGGSA-N 2 0 400.542 3.590 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500120803 1003482408 /nfs/dbraw/zinc/48/24/08/1003482408.db2.gz YDKVMPXWMBLZQW-DEOSSOPVSA-N 2 0 406.574 3.919 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500120804 1003482549 /nfs/dbraw/zinc/48/25/49/1003482549.db2.gz YDKVMPXWMBLZQW-XMMPIXPASA-N 2 0 406.574 3.919 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000509042061 1003511493 /nfs/dbraw/zinc/51/14/93/1003511493.db2.gz YDQXUSSOWXGKBC-HXUWFJFHSA-N 2 0 407.002 3.993 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000500160548 1003514387 /nfs/dbraw/zinc/51/43/87/1003514387.db2.gz NKJGMMALTXJNJU-QFIPXVFZSA-N 2 0 400.542 3.770 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509462126 1003880168 /nfs/dbraw/zinc/88/01/68/1003880168.db2.gz GCNQALRZVORTIZ-QGZVFWFLSA-N 2 0 402.380 3.842 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000509531793 1003926749 /nfs/dbraw/zinc/92/67/49/1003926749.db2.gz GJDMTPXWUZOVPY-NRFANRHFSA-N 2 0 417.500 3.723 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000500753452 1003937948 /nfs/dbraw/zinc/93/79/48/1003937948.db2.gz IXTAAPZYXPQUCS-QHCPKHFHSA-N 2 0 409.578 3.551 20 0 HHADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)sc1Br ZINC000512135560 1004048143 /nfs/dbraw/zinc/04/81/43/1004048143.db2.gz LYSTUSXUQPNCLT-AWEZNQCLSA-N 2 0 424.408 3.961 20 0 HHADRP CC(C)[NH+]1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000509721941 1004051243 /nfs/dbraw/zinc/05/12/43/1004051243.db2.gz ZBONRZCLMFHOBM-UHFFFAOYSA-N 2 0 407.986 3.609 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512170785 1004074210 /nfs/dbraw/zinc/07/42/10/1004074210.db2.gz DNHLHXVBCMUYCO-JOCHJYFZSA-N 2 0 400.611 3.851 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171291 1004074894 /nfs/dbraw/zinc/07/48/94/1004074894.db2.gz GPSUOHDFRWCXSN-DHIUTWEWSA-N 2 0 408.590 3.889 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000509778331 1004089489 /nfs/dbraw/zinc/08/94/89/1004089489.db2.gz QNCSEFUAKOMLME-QUCCMNQESA-N 2 0 400.611 3.896 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)C[C@H](C)O1 ZINC000509788450 1004097603 /nfs/dbraw/zinc/09/76/03/1004097603.db2.gz RLLHYGSPXPSATK-BGYRXZFFSA-N 2 0 404.558 3.986 20 0 HHADRP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036327 1004138784 /nfs/dbraw/zinc/13/87/84/1004138784.db2.gz YOEVJPNGUPPXIN-NRFANRHFSA-N 2 0 412.603 3.827 20 0 HHADRP C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043966 1004145475 /nfs/dbraw/zinc/14/54/75/1004145475.db2.gz FIENBARPDFYGIZ-UHFFFAOYSA-N 2 0 421.570 3.652 20 0 HHADRP COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501048965 1004150552 /nfs/dbraw/zinc/15/05/52/1004150552.db2.gz ACHHRUDHCTYZSJ-IBGZPJMESA-N 2 0 412.578 3.738 20 0 HHADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000501059665 1004161761 /nfs/dbraw/zinc/16/17/61/1004161761.db2.gz NZQAOLBQFXOYJX-JOCHJYFZSA-N 2 0 401.986 3.567 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000501070466 1004173417 /nfs/dbraw/zinc/17/34/17/1004173417.db2.gz DLGLORQXJOMCRS-NZQKXSOJSA-N 2 0 400.611 3.803 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501082716 1004187657 /nfs/dbraw/zinc/18/76/57/1004187657.db2.gz AKZOTTLNEMPTHZ-GHTZIAJQSA-N 2 0 424.992 3.989 20 0 HHADRP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293935 1004198127 /nfs/dbraw/zinc/19/81/27/1004198127.db2.gz NIZSXLUAOYYQQK-VWNXMTODSA-N 2 0 414.977 3.816 20 0 HHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[NH+](C)C ZINC000501099980 1004204587 /nfs/dbraw/zinc/20/45/87/1004204587.db2.gz QEDOLQXTQDITEA-HTAPYJJXSA-N 2 0 400.542 3.686 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000501187343 1004264777 /nfs/dbraw/zinc/26/47/77/1004264777.db2.gz MDJLEQHFPKMJND-LJQANCHMSA-N 2 0 424.680 3.792 20 0 HHADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000510022726 1004271665 /nfs/dbraw/zinc/27/16/65/1004271665.db2.gz GDUHUGMJMLIEPX-JOCHJYFZSA-N 2 0 421.589 3.613 20 0 HHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000510029417 1004276964 /nfs/dbraw/zinc/27/69/64/1004276964.db2.gz MAKFELMHICGBRY-UHFFFAOYSA-N 2 0 422.013 3.999 20 0 HHADRP Fc1cc(OCCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443333 1004305225 /nfs/dbraw/zinc/30/52/25/1004305225.db2.gz AVAZASRDQYOLOQ-FQEVSTJZSA-N 2 0 417.956 3.750 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501357180 1004364709 /nfs/dbraw/zinc/36/47/09/1004364709.db2.gz JNDKOVUHKMYTCQ-GOTSBHOMSA-N 2 0 412.553 3.565 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391649 1004386927 /nfs/dbraw/zinc/38/69/27/1004386927.db2.gz MXORZUICMDFBIS-APTRMMRNSA-N 2 0 424.589 3.508 20 0 HHADRP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244548 1004420869 /nfs/dbraw/zinc/42/08/69/1004420869.db2.gz UDCNKIMQBJMFCD-LEWJYISDSA-N 2 0 405.533 3.621 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)C1 ZINC000501472917 1004447449 /nfs/dbraw/zinc/44/74/49/1004447449.db2.gz FYSABNPBIQHLFW-QTJGBDASSA-N 2 0 406.574 3.595 20 0 HHADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cn2)CCO1 ZINC000512646646 1004458207 /nfs/dbraw/zinc/45/82/07/1004458207.db2.gz BWEOXQFKYCMBKE-ZBCONREDSA-N 2 0 420.601 3.697 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664572 1004475410 /nfs/dbraw/zinc/47/54/10/1004475410.db2.gz AGGAYOSRUVRURH-WOIUINJBSA-N 2 0 413.512 3.585 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510325185 1004481864 /nfs/dbraw/zinc/48/18/64/1004481864.db2.gz GAIBKAKHJRWMHC-OYRHEFFESA-N 2 0 412.622 3.934 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510325187 1004482752 /nfs/dbraw/zinc/48/27/52/1004482752.db2.gz GAIBKAKHJRWMHC-SFTDATJTSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512687962 1004494140 /nfs/dbraw/zinc/49/41/40/1004494140.db2.gz AAEQLKXAPKLTEM-PZJWPPBQSA-N 2 0 400.611 3.849 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501536196 1004498665 /nfs/dbraw/zinc/49/86/65/1004498665.db2.gz PSNRCKCJTLZCJG-FQEVSTJZSA-N 2 0 421.010 3.968 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693162 1004499235 /nfs/dbraw/zinc/49/92/35/1004499235.db2.gz HKRGDGYUIVFUFX-QZTJIDSGSA-N 2 0 422.564 3.691 20 0 HHADRP CC[C@@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000510455496 1004577993 /nfs/dbraw/zinc/57/79/93/1004577993.db2.gz GPWOAFRWDKRUMM-GOTSBHOMSA-N 2 0 424.589 3.861 20 0 HHADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512825817 1004584021 /nfs/dbraw/zinc/58/40/21/1004584021.db2.gz GYOJNRKVAPDNPR-PMACEKPBSA-N 2 0 424.511 3.550 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510508904 1004631089 /nfs/dbraw/zinc/63/10/89/1004631089.db2.gz CBJFQOUTLFNYKQ-PZJWPPBQSA-N 2 0 400.611 3.979 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000510509484 1004632021 /nfs/dbraw/zinc/63/20/21/1004632021.db2.gz DLBLHANNDOCWJR-KNQAVFIVSA-N 2 0 400.611 3.981 20 0 HHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000501770155 1004707613 /nfs/dbraw/zinc/70/76/13/1004707613.db2.gz NGLGWDDVZZMCBN-CTNGQTDRSA-N 2 0 421.651 3.871 20 0 HHADRP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501777995 1004717977 /nfs/dbraw/zinc/71/79/77/1004717977.db2.gz RPFIAMQHPHXMBA-IBGZPJMESA-N 2 0 416.610 3.549 20 0 HHADRP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000501782858 1004724126 /nfs/dbraw/zinc/72/41/26/1004724126.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 2 0 409.578 3.842 20 0 HHADRP C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510580459 1004727973 /nfs/dbraw/zinc/72/79/73/1004727973.db2.gz OJGZWJWLIXVRFJ-REWPJTCUSA-N 2 0 412.622 3.851 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501800218 1004742394 /nfs/dbraw/zinc/74/23/94/1004742394.db2.gz CDEJVAFHUBVHSI-VXKWHMMOSA-N 2 0 410.562 3.943 20 0 HHADRP Fc1cccc(Cl)c1CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000513226161 1004870290 /nfs/dbraw/zinc/87/02/90/1004870290.db2.gz HPAXDCYROQBQBV-KRWDZBQOSA-N 2 0 409.977 3.534 20 0 HHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000513334675 1004916677 /nfs/dbraw/zinc/91/66/77/1004916677.db2.gz ISUAPWZNXJMMHG-XZOQPEGZSA-N 2 0 406.014 3.662 20 0 HHADRP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372349 1004931491 /nfs/dbraw/zinc/93/14/91/1004931491.db2.gz PHZCCBXEXGDHJW-ZCYQVOJMSA-N 2 0 421.585 3.503 20 0 HHADRP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)c1 ZINC000513372344 1004931535 /nfs/dbraw/zinc/93/15/35/1004931535.db2.gz PHZCCBXEXGDHJW-NOZRDPDXSA-N 2 0 421.585 3.503 20 0 HHADRP CC(C)Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000513373900 1004932685 /nfs/dbraw/zinc/93/26/85/1004932685.db2.gz UGIBIQQHUACYMB-KORDQABASA-N 2 0 400.611 3.754 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1)C1CCOCC1 ZINC000502276964 1004990032 /nfs/dbraw/zinc/99/00/32/1004990032.db2.gz RPESCAUMAXXEFA-QHCPKHFHSA-N 2 0 402.579 3.615 20 0 HHADRP Cc1c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000513494273 1004990330 /nfs/dbraw/zinc/99/03/30/1004990330.db2.gz GZYATTMPLJNKEO-NZQKXSOJSA-N 2 0 418.585 3.875 20 0 HHADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000511038314 1004992383 /nfs/dbraw/zinc/99/23/83/1004992383.db2.gz PMUQHGNHBUBEBQ-REWPJTCUSA-N 2 0 409.574 3.511 20 0 HHADRP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232035 1005083881 /nfs/dbraw/zinc/08/38/81/1005083881.db2.gz QXVSNUSIFXSHGA-BHIFYINESA-N 2 0 404.643 3.793 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000511242790 1005087873 /nfs/dbraw/zinc/08/78/73/1005087873.db2.gz UPLPPTVRIGNTCL-UHFFFAOYSA-N 2 0 415.626 3.723 20 0 HHADRP C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511249122 1005090978 /nfs/dbraw/zinc/09/09/78/1005090978.db2.gz KNRZMXPECHRKLU-ZCNNSNEGSA-N 2 0 418.651 3.912 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252658 1005092522 /nfs/dbraw/zinc/09/25/22/1005092522.db2.gz YKKNWQLILJADMG-MOPGFXCFSA-N 2 0 404.574 3.552 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264130 1005096887 /nfs/dbraw/zinc/09/68/87/1005096887.db2.gz DGWQXVXYWZYJJI-BDTNDASRSA-N 2 0 404.643 3.937 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511264131 1005097083 /nfs/dbraw/zinc/09/70/83/1005097083.db2.gz DGWQXVXYWZYJJI-BHDDXSALSA-N 2 0 404.643 3.937 20 0 HHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000513840103 1005154253 /nfs/dbraw/zinc/15/42/53/1005154253.db2.gz WWGAWFIQCJNIDZ-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cn2)CC1 ZINC000513868915 1005165874 /nfs/dbraw/zinc/16/58/74/1005165874.db2.gz CSHRHTVBALOENH-HXUWFJFHSA-N 2 0 415.379 3.763 20 0 HHADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453749 1005183171 /nfs/dbraw/zinc/18/31/71/1005183171.db2.gz KUQPZEVKKBLCDF-TUNPWDSISA-N 2 0 407.986 3.609 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000514015155 1005229189 /nfs/dbraw/zinc/22/91/89/1005229189.db2.gz HFBOSVJPYLRHKC-UHFFFAOYSA-N 2 0 407.002 3.868 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514019995 1005230897 /nfs/dbraw/zinc/23/08/97/1005230897.db2.gz KHUFPEWNTMJWOX-MSOLQXFVSA-N 2 0 407.002 3.724 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000502828331 1005235224 /nfs/dbraw/zinc/23/52/24/1005235224.db2.gz QDLZTAGTJJXJGC-JOCHJYFZSA-N 2 0 412.578 3.969 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000502863939 1005249088 /nfs/dbraw/zinc/24/90/88/1005249088.db2.gz SFMRPCIGEBGTGO-RBBKRZOGSA-N 2 0 416.610 3.643 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc4c(c3)OCC(=O)N4)CC2)c1 ZINC000514086575 1005259356 /nfs/dbraw/zinc/25/93/56/1005259356.db2.gz BMJMAROWROPWBR-FQEVSTJZSA-N 2 0 422.573 3.579 20 0 HHADRP COc1cccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[NH+]2CCCC2)c1 ZINC000511646385 1005259838 /nfs/dbraw/zinc/25/98/38/1005259838.db2.gz GQNYPSBRUYYVGB-RUZDIDTESA-N 2 0 421.585 3.861 20 0 HHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000502892162 1005262484 /nfs/dbraw/zinc/26/24/84/1005262484.db2.gz BKAQLEVEVCPWDM-OAQYLSRUSA-N 2 0 400.611 3.984 20 0 HHADRP CO[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000514100677 1005265686 /nfs/dbraw/zinc/26/56/86/1005265686.db2.gz AIVMCNWJXDCVFS-JOCHJYFZSA-N 2 0 422.013 3.732 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514177028 1005299773 /nfs/dbraw/zinc/29/97/73/1005299773.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 2 0 412.603 3.534 20 0 HHADRP CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514181338 1005300715 /nfs/dbraw/zinc/30/07/15/1005300715.db2.gz BLIHFYUXIDWZHQ-HSZRJFAPSA-N 2 0 400.611 3.945 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000514233595 1005324748 /nfs/dbraw/zinc/32/47/48/1005324748.db2.gz CCEPOAZYDKDEGB-XMMPIXPASA-N 2 0 403.526 3.517 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000514238510 1005327189 /nfs/dbraw/zinc/32/71/89/1005327189.db2.gz FDOZKLJRXDIEMV-BEZYRKKYSA-N 2 0 405.586 3.895 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000503053085 1005329479 /nfs/dbraw/zinc/32/94/79/1005329479.db2.gz JTJXJORWOUMWQQ-IBGZPJMESA-N 2 0 418.651 3.777 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503069568 1005336372 /nfs/dbraw/zinc/33/63/72/1005336372.db2.gz SCCOIYMGZKODHZ-NJYVYQBISA-N 2 0 400.611 3.659 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000503079568 1005341781 /nfs/dbraw/zinc/34/17/81/1005341781.db2.gz CGCXZQALYIEQPF-DYESRHJHSA-N 2 0 400.542 3.857 20 0 HHADRP CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503090235 1005344591 /nfs/dbraw/zinc/34/45/91/1005344591.db2.gz OJGVRPAFRNQQCH-HSZRJFAPSA-N 2 0 412.553 3.734 20 0 HHADRP Cc1cccc(C2(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CCCC2)c1 ZINC000503348288 1005395222 /nfs/dbraw/zinc/39/52/22/1005395222.db2.gz VFDPUIBNXKLLGO-UHFFFAOYSA-N 2 0 421.589 3.671 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000503400570 1005408817 /nfs/dbraw/zinc/40/88/17/1005408817.db2.gz ZHADRBZMVPDZLK-UHFFFAOYSA-N 2 0 418.548 3.699 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000503402256 1005409283 /nfs/dbraw/zinc/40/92/83/1005409283.db2.gz SPYPVHOJTAMQSM-RPWUZVMVSA-N 2 0 412.622 3.805 20 0 HHADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000503462720 1005427732 /nfs/dbraw/zinc/42/77/32/1005427732.db2.gz BHZLPXYWFXNTPC-BJKOFHAPSA-N 2 0 414.638 3.751 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)C2)CC1 ZINC000503476026 1005432020 /nfs/dbraw/zinc/43/20/20/1005432020.db2.gz VMVOSQOGPOADFT-VWNXMTODSA-N 2 0 412.622 3.977 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)C2)CC1 ZINC000503501699 1005438631 /nfs/dbraw/zinc/43/86/31/1005438631.db2.gz HHDDCQSDKYVZPW-YADHBBJMSA-N 2 0 416.610 3.960 20 0 HHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000503556445 1005452091 /nfs/dbraw/zinc/45/20/91/1005452091.db2.gz CYTQUUGNQMTKFE-HXUWFJFHSA-N 2 0 413.606 3.579 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000503961793 1005520359 /nfs/dbraw/zinc/52/03/59/1005520359.db2.gz IKUXHINFTBBVEN-UHFFFAOYSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccccn3)cc2)C1 ZINC000504398952 1005618732 /nfs/dbraw/zinc/61/87/32/1005618732.db2.gz KQIYNFHCRKNPLX-OAQYLSRUSA-N 2 0 423.605 3.587 20 0 HHADRP C[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)CN1CC[NH+](C)CC1 ZINC000534058464 1006030575 /nfs/dbraw/zinc/03/05/75/1006030575.db2.gz CBWPWEYXWLFMOM-UGSOOPFHSA-N 2 0 400.792 3.563 20 0 HHADRP Cc1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000531189075 1006036103 /nfs/dbraw/zinc/03/61/03/1006036103.db2.gz QOCVQGWMDIJTGN-LJQANCHMSA-N 2 0 418.973 3.536 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)[NH+]1CCCC1 ZINC000514564889 1006038059 /nfs/dbraw/zinc/03/80/59/1006038059.db2.gz UFEUIZZSWNISAI-QHCPKHFHSA-N 2 0 424.589 3.606 20 0 HHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531219568 1006053705 /nfs/dbraw/zinc/05/37/05/1006053705.db2.gz HPCYAZQWVGGHNP-UHFFFAOYSA-N 2 0 414.516 3.729 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000514665271 1006074091 /nfs/dbraw/zinc/07/40/91/1006074091.db2.gz AZVGJLDVVMQVFL-MGPUTAFESA-N 2 0 419.411 3.923 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795219 1006130240 /nfs/dbraw/zinc/13/02/40/1006130240.db2.gz ZNWFMWVZRCMDMQ-OXJNMPFZSA-N 2 0 404.352 3.723 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000514817552 1006149430 /nfs/dbraw/zinc/14/94/30/1006149430.db2.gz GCRPHPQZAYCPIB-KYTVRQNUSA-N 2 0 421.585 3.618 20 0 HHADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534228279 1006225746 /nfs/dbraw/zinc/22/57/46/1006225746.db2.gz IKYDJVMHLLFRAA-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534238603 1006244462 /nfs/dbraw/zinc/24/44/62/1006244462.db2.gz LAJUDGRPZPAOFG-LJQANCHMSA-N 2 0 412.553 3.693 20 0 HHADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534249473 1006257337 /nfs/dbraw/zinc/25/73/37/1006257337.db2.gz GOZOVGTZNYGPOW-VXKWHMMOSA-N 2 0 412.622 3.805 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251448 1006259844 /nfs/dbraw/zinc/25/98/44/1006259844.db2.gz OXDIIVIGFVYYBF-KJNZLNQQSA-N 2 0 422.976 3.598 20 0 HHADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534282549 1006279758 /nfs/dbraw/zinc/27/97/58/1006279758.db2.gz YBIOJUUFRFCTKN-UHFFFAOYSA-N 2 0 412.622 3.647 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000531621023 1006310559 /nfs/dbraw/zinc/31/05/59/1006310559.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 2 0 420.601 3.566 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000515231805 1006348433 /nfs/dbraw/zinc/34/84/33/1006348433.db2.gz UNZZQWRJYUAQJJ-UHFFFAOYSA-N 2 0 421.589 3.533 20 0 HHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000531684703 1006353526 /nfs/dbraw/zinc/35/35/26/1006353526.db2.gz PNSZSAXVARHLPC-UZLBHIALSA-N 2 0 422.411 3.812 20 0 HHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000531753290 1006398387 /nfs/dbraw/zinc/39/83/87/1006398387.db2.gz GALFIQMYMVYNHV-UHFFFAOYSA-N 2 0 412.603 3.916 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(Cn3cccn3)c2)CC1 ZINC000531785760 1006426957 /nfs/dbraw/zinc/42/69/57/1006426957.db2.gz DUADCIGDHOVZPK-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848345 1006468553 /nfs/dbraw/zinc/46/85/53/1006468553.db2.gz VXTBXACWJIWGMZ-RUZDIDTESA-N 2 0 406.618 3.971 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000515517461 1006510247 /nfs/dbraw/zinc/51/02/47/1006510247.db2.gz RNYWMPQJZXPYGM-MOPGFXCFSA-N 2 0 423.557 3.949 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1sccc1Br ZINC000531960897 1006548129 /nfs/dbraw/zinc/54/81/29/1006548129.db2.gz DPWQYNXHRQXIQJ-OAHLLOKOSA-N 2 0 424.412 3.554 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531994431 1006566625 /nfs/dbraw/zinc/56/66/25/1006566625.db2.gz CBTOYVMSUOGACA-SFHVURJKSA-N 2 0 422.573 3.778 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000532195220 1006712615 /nfs/dbraw/zinc/71/26/15/1006712615.db2.gz QBCLLDUWSPSNJO-KRWDZBQOSA-N 2 0 402.608 3.805 20 0 HHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000515844656 1006713186 /nfs/dbraw/zinc/71/31/86/1006713186.db2.gz KDNYVBKHKQQAED-PMACEKPBSA-N 2 0 406.590 3.657 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000532296414 1006778418 /nfs/dbraw/zinc/77/84/18/1006778418.db2.gz UVKQVXFYUYSBLS-UHFFFAOYSA-N 2 0 403.574 3.753 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000538590760 1006857910 /nfs/dbraw/zinc/85/79/10/1006857910.db2.gz RVYHPXMLOFMHDP-YKSBVNFPSA-N 2 0 407.606 3.935 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4C)cc3)cn2)CC1 ZINC000532446979 1006889143 /nfs/dbraw/zinc/88/91/43/1006889143.db2.gz OSMXXSPWRCDHAI-LJQANCHMSA-N 2 0 404.562 3.568 20 0 HHADRP CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000532451844 1006894614 /nfs/dbraw/zinc/89/46/14/1006894614.db2.gz RYSUUZNFHIMDJP-LJQANCHMSA-N 2 0 412.578 3.872 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(Cl)c4c(c3)OCCO4)CC2)CC1 ZINC000538724108 1007002218 /nfs/dbraw/zinc/00/22/18/1007002218.db2.gz RUWAPDJOSCUNGW-UHFFFAOYSA-N 2 0 422.013 3.739 20 0 HHADRP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963746 1007014384 /nfs/dbraw/zinc/01/43/84/1007014384.db2.gz KDXPWBFUWBKPEX-HXUWFJFHSA-N 2 0 409.549 3.819 20 0 HHADRP O=C(CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc21 ZINC000534967722 1007022245 /nfs/dbraw/zinc/02/22/45/1007022245.db2.gz YXNQADYEVJSWJL-UHFFFAOYSA-N 2 0 403.570 3.954 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534969826 1007025064 /nfs/dbraw/zinc/02/50/64/1007025064.db2.gz AQDVLZXSWXFOEP-OAQYLSRUSA-N 2 0 412.553 3.551 20 0 HHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750844 1007035863 /nfs/dbraw/zinc/03/58/63/1007035863.db2.gz BQZOICIWMPMBAP-LJQANCHMSA-N 2 0 406.521 3.700 20 0 HHADRP CC(C)[NH+](CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(C)C ZINC000534986074 1007044443 /nfs/dbraw/zinc/04/44/43/1007044443.db2.gz QWUQLYYDHYWKOP-UHFFFAOYSA-N 2 0 400.611 3.803 20 0 HHADRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(-c2cccnc2)n1 ZINC000538763044 1007049178 /nfs/dbraw/zinc/04/91/78/1007049178.db2.gz BHZLRDTZKVDWJF-UHFFFAOYSA-N 2 0 401.558 3.970 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1F ZINC000534995194 1007055878 /nfs/dbraw/zinc/05/58/78/1007055878.db2.gz PJEMLSCUWLVOPY-UHFFFAOYSA-N 2 0 400.542 3.597 20 0 HHADRP C[C@H]1CCC[C@](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)([NH+](C)C)C1 ZINC000538875321 1007154737 /nfs/dbraw/zinc/15/47/37/1007154737.db2.gz ATAWYVZVYXXCOM-RDPSFJRHSA-N 2 0 415.626 3.840 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000516559129 1007156415 /nfs/dbraw/zinc/15/64/15/1007156415.db2.gz VFHLTDDXUXKXNE-CYFREDJKSA-N 2 0 400.611 3.769 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000516565030 1007159555 /nfs/dbraw/zinc/15/95/55/1007159555.db2.gz YCDYHGVJVMSDAV-NRFANRHFSA-N 2 0 416.610 3.784 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535181588 1007227583 /nfs/dbraw/zinc/22/75/83/1007227583.db2.gz MLRHASKSTYBFRI-RDPSFJRHSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945594 1007230585 /nfs/dbraw/zinc/23/05/85/1007230585.db2.gz QISVLFJDDCJVRW-INIZCTEOSA-N 2 0 401.942 3.696 20 0 HHADRP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947209 1007232666 /nfs/dbraw/zinc/23/26/66/1007232666.db2.gz YZWBDKKPUNTUSG-GOSISDBHSA-N 2 0 412.603 3.655 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC[C@@H]4CCCO4)cc3)nc2)CC1 ZINC000532865901 1007252858 /nfs/dbraw/zinc/25/28/58/1007252858.db2.gz KNEMGWQYSLCPAY-QHCPKHFHSA-N 2 0 410.562 3.782 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)CC1 ZINC000532986617 1007356902 /nfs/dbraw/zinc/35/69/02/1007356902.db2.gz KLRKRONVWXDQPW-XMMPIXPASA-N 2 0 406.574 3.539 20 0 HHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539065111 1007357658 /nfs/dbraw/zinc/35/76/58/1007357658.db2.gz PCELRPDNFQVVRJ-WTOYTKOKSA-N 2 0 402.583 3.635 20 0 HHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539072811 1007364401 /nfs/dbraw/zinc/36/44/01/1007364401.db2.gz UKPZFPOBMKUAIN-GBESFXJTSA-N 2 0 410.002 3.556 20 0 HHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000539075737 1007366911 /nfs/dbraw/zinc/36/69/11/1007366911.db2.gz JWQZILSUTYWUGK-PMPSAXMXSA-N 2 0 401.364 3.998 20 0 HHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C[C@H]1C ZINC000539224579 1007516525 /nfs/dbraw/zinc/51/65/25/1007516525.db2.gz BHQQDLKTQLXWOC-OYRHEFFESA-N 2 0 419.573 3.566 20 0 HHADRP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000539244471 1007538397 /nfs/dbraw/zinc/53/83/97/1007538397.db2.gz UGIJXBSIZDQETO-XMMPIXPASA-N 2 0 409.574 3.779 20 0 HHADRP COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000533288810 1007601328 /nfs/dbraw/zinc/60/13/28/1007601328.db2.gz CGYSAJRZGXKONQ-IRLDBZIGSA-N 2 0 421.585 3.654 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000539310762 1007608893 /nfs/dbraw/zinc/60/88/93/1007608893.db2.gz KVODBEUJCKOWLB-ZGXWSNOMSA-N 2 0 418.601 3.511 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000539310640 1007609216 /nfs/dbraw/zinc/60/92/16/1007609216.db2.gz GPJFESPVPLKYHU-IRXDYDNUSA-N 2 0 416.516 3.785 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2)c1 ZINC000539377102 1007682185 /nfs/dbraw/zinc/68/21/85/1007682185.db2.gz LAHZGGCVPVMQHA-DPLHUUCSSA-N 2 0 420.601 3.717 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCC(=O)N1CCc3ccccc31)c1ccccc1O2 ZINC000539395703 1007701803 /nfs/dbraw/zinc/70/18/03/1007701803.db2.gz YUVVAMQLJHLNJY-JOCHJYFZSA-N 2 0 419.569 3.934 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)C[C@H](C)O1 ZINC000539408074 1007715399 /nfs/dbraw/zinc/71/53/99/1007715399.db2.gz SXIIWMFAYFXYPC-CALCHBBNSA-N 2 0 402.608 3.985 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)C[C@H](C)O1 ZINC000539408101 1007715637 /nfs/dbraw/zinc/71/56/37/1007715637.db2.gz SXIIWMFAYFXYPC-IRXDYDNUSA-N 2 0 402.608 3.985 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535696647 1007732139 /nfs/dbraw/zinc/73/21/39/1007732139.db2.gz NUERXBULYIPSSB-UHFFFAOYSA-N 2 0 421.585 3.755 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000517536033 1007753818 /nfs/dbraw/zinc/75/38/18/1007753818.db2.gz OXRXDBCATWASOD-MRXNPFEDSA-N 2 0 406.368 3.825 20 0 HHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000533439509 1007755567 /nfs/dbraw/zinc/75/55/67/1007755567.db2.gz OBKNMUDKIBCGIG-VXKWHMMOSA-N 2 0 405.627 3.569 20 0 HHADRP C[NH+]1Cc2ccccc2[C@@H](Nc2cc(N[C@@H]3C[N@@H+](C)Cc4ccccc43)ncn2)C1 ZINC000535739434 1007767423 /nfs/dbraw/zinc/76/74/23/1007767423.db2.gz HKUXUNLAPFMWQD-SZPZYZBQSA-N 2 0 400.530 3.674 20 0 HHADRP C[NH+](C)C1CCN(c2ccc(NC3CCC4(CC3)c3ccccc3NC4=O)nc2)CC1 ZINC000539688641 1008008391 /nfs/dbraw/zinc/00/83/91/1008008391.db2.gz GCUNDSTVVKOBTD-UHFFFAOYSA-N 2 0 419.573 3.857 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000539690434 1008009365 /nfs/dbraw/zinc/00/93/65/1008009365.db2.gz QEQDGUGQCYXXQU-CIEVZJJWSA-N 2 0 403.611 3.845 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536095650 1008118193 /nfs/dbraw/zinc/11/81/93/1008118193.db2.gz MWWPXYXJIVUHCX-ZEQRLZLVSA-N 2 0 406.574 3.704 20 0 HHADRP Cc1cccn2cc(COc3ccc(C[NH+]4CCC(OCC[NH+](C)C)CC4)cc3)nc12 ZINC000539832366 1008125880 /nfs/dbraw/zinc/12/58/80/1008125880.db2.gz QQUIKKURMCNLSQ-UHFFFAOYSA-N 2 0 422.573 3.764 20 0 HHADRP Brc1ccc(-n2cc(CN3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851805 1008140400 /nfs/dbraw/zinc/14/04/00/1008140400.db2.gz DCEIHQPNZRWSOS-QGZVFWFLSA-N 2 0 403.368 3.943 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893434 1008187160 /nfs/dbraw/zinc/18/71/60/1008187160.db2.gz WMZXCTFGGUXMOZ-FGZHOGPDSA-N 2 0 412.603 3.705 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000539979841 1008218666 /nfs/dbraw/zinc/21/86/66/1008218666.db2.gz QFOOBMSLNQJERM-QGZVFWFLSA-N 2 0 410.027 3.626 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533958643 1008233569 /nfs/dbraw/zinc/23/35/69/1008233569.db2.gz ZJNQDZAVJJXING-AOHZBQACSA-N 2 0 422.573 3.577 20 0 HHADRP Fc1cccc(N2CCCC2)c1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518269497 1008233958 /nfs/dbraw/zinc/23/39/58/1008233958.db2.gz DYLOVXUIABFABK-UHFFFAOYSA-N 2 0 410.581 3.723 20 0 HHADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043814 1008253761 /nfs/dbraw/zinc/25/37/61/1008253761.db2.gz GKTBZLCASJXNNW-NRFANRHFSA-N 2 0 408.590 3.676 20 0 HHADRP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000540046874 1008256273 /nfs/dbraw/zinc/25/62/73/1008256273.db2.gz GBPJYPGGNIDWLS-QHCPKHFHSA-N 2 0 421.589 3.648 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000518407500 1008292516 /nfs/dbraw/zinc/29/25/16/1008292516.db2.gz XZNAGUJLGQVTRD-OYRHEFFESA-N 2 0 414.638 3.749 20 0 HHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1SC ZINC000540171273 1008321141 /nfs/dbraw/zinc/32/11/41/1008321141.db2.gz QADXQHRRRBIYDS-MRXNPFEDSA-N 2 0 401.576 3.559 20 0 HHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(C)=O ZINC000540191338 1008329480 /nfs/dbraw/zinc/32/94/80/1008329480.db2.gz PJXZLQFZWVINTR-HXUWFJFHSA-N 2 0 424.589 3.907 20 0 HHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000540321291 1008378807 /nfs/dbraw/zinc/37/88/07/1008378807.db2.gz YQLYSOJFLNNCFT-KRWDZBQOSA-N 2 0 417.500 3.851 20 0 HHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540327946 1008381847 /nfs/dbraw/zinc/38/18/47/1008381847.db2.gz YNVFZUHEVAFWLJ-SXWKCWPCSA-N 2 0 409.574 3.904 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000540408648 1008420732 /nfs/dbraw/zinc/42/07/32/1008420732.db2.gz UVQJIUDPZHKQNC-MOPGFXCFSA-N 2 0 412.553 3.954 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000540410312 1008421709 /nfs/dbraw/zinc/42/17/09/1008421709.db2.gz XGVHPXBIWOGBEQ-DLBZAZTESA-N 2 0 418.582 3.557 20 0 HHADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C[C@H]1C ZINC000540473128 1008445439 /nfs/dbraw/zinc/44/54/39/1008445439.db2.gz VIZXYETYFWVNGJ-NHCUHLMSSA-N 2 0 423.601 3.687 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493460 1008454121 /nfs/dbraw/zinc/45/41/21/1008454121.db2.gz ADVQPOOQDCDIBF-YLJYHZDGSA-N 2 0 412.965 3.892 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507902 1008460399 /nfs/dbraw/zinc/46/03/99/1008460399.db2.gz RHNLRLKVKSOWFJ-JTHBVZDNSA-N 2 0 419.569 3.613 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)CC1 ZINC000518903319 1008467160 /nfs/dbraw/zinc/46/71/60/1008467160.db2.gz FCRGIZWQDYREAZ-HSZRJFAPSA-N 2 0 424.589 3.767 20 0 HHADRP CC[NH+](CC)CCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545459461 1008570582 /nfs/dbraw/zinc/57/05/82/1008570582.db2.gz YGPVRGKPIWMKOT-UHFFFAOYSA-N 2 0 410.400 3.684 20 0 HHADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000549054743 1008621122 /nfs/dbraw/zinc/62/11/22/1008621122.db2.gz NBCFDHIJNHWOAK-PZUNEJSGSA-N 2 0 420.601 3.684 20 0 HHADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OCc1cccnc1 ZINC000519235751 1008641012 /nfs/dbraw/zinc/64/10/12/1008641012.db2.gz ACONSZOPNCNZSP-UHFFFAOYSA-N 2 0 401.576 3.586 20 0 HHADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000519293794 1008704703 /nfs/dbraw/zinc/70/47/03/1008704703.db2.gz QFYJXHKPWSOAID-LJQANCHMSA-N 2 0 407.002 3.583 20 0 HHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000519322425 1008730649 /nfs/dbraw/zinc/73/06/49/1008730649.db2.gz VVQFAXFSMFRPJU-FQEVSTJZSA-N 2 0 419.013 3.868 20 0 HHADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190589 1008763858 /nfs/dbraw/zinc/76/38/58/1008763858.db2.gz UYSSWIRDEBVDFZ-AHWVRZQESA-N 2 0 421.585 3.826 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549202928 1008775989 /nfs/dbraw/zinc/77/59/89/1008775989.db2.gz VLNYAJQDOOZFAQ-OAQYLSRUSA-N 2 0 400.611 3.803 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000549226971 1008796929 /nfs/dbraw/zinc/79/69/29/1008796929.db2.gz AJBCLJRJNJDTKU-ACESQOTJSA-N 2 0 400.563 3.526 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)COc1ncccc1Br ZINC000543241390 1008810574 /nfs/dbraw/zinc/81/05/74/1008810574.db2.gz BZZJNJMSCQYBGA-UHFFFAOYSA-N 2 0 416.323 3.680 20 0 HHADRP COC(=O)CCCN1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000545913006 1008993632 /nfs/dbraw/zinc/99/36/32/1008993632.db2.gz LUCKXPUWBVQODW-FQEVSTJZSA-N 2 0 401.595 3.568 20 0 HHADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000543403721 1008996679 /nfs/dbraw/zinc/99/66/79/1008996679.db2.gz WUVUYFIXMSYPLP-DEOSSOPVSA-N 2 0 413.631 3.932 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000546009503 1009045466 /nfs/dbraw/zinc/04/54/66/1009045466.db2.gz VNRGZERECAETDG-GOSISDBHSA-N 2 0 414.516 3.824 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000549490473 1009092302 /nfs/dbraw/zinc/09/23/02/1009092302.db2.gz QIENRBYBCFACMM-NRFANRHFSA-N 2 0 415.969 3.554 20 0 HHADRP CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546183020 1009213022 /nfs/dbraw/zinc/21/30/22/1009213022.db2.gz SDJACIPILOZDCT-HSZRJFAPSA-N 2 0 406.574 3.729 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000543643172 1009247333 /nfs/dbraw/zinc/24/73/33/1009247333.db2.gz ZAEJAZSNEHXYGI-UXHICEINSA-N 2 0 400.611 3.933 20 0 HHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000549857493 1009477110 /nfs/dbraw/zinc/47/71/10/1009477110.db2.gz ZXGGYTATAZKAEP-UHFFFAOYSA-N 2 0 402.627 3.683 20 0 HHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867944 1009487854 /nfs/dbraw/zinc/48/78/54/1009487854.db2.gz JFBPICAYHPPYCC-UFYCRDLUSA-N 2 0 412.496 3.615 20 0 HHADRP COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000549918918 1009537007 /nfs/dbraw/zinc/53/70/07/1009537007.db2.gz BYRUMWRZBQBNMY-XMMPIXPASA-N 2 0 421.585 3.614 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040038 1009641691 /nfs/dbraw/zinc/64/16/91/1009641691.db2.gz TXYXZIUXUQOLQY-RBUKOAKNSA-N 2 0 414.594 3.710 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000520613710 1009690165 /nfs/dbraw/zinc/69/01/65/1009690165.db2.gz BOUOQGQWFXFBBU-REWPJTCUSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000520613707 1009690522 /nfs/dbraw/zinc/69/05/22/1009690522.db2.gz BOUOQGQWFXFBBU-NFBKMPQASA-N 2 0 400.611 3.838 20 0 HHADRP O=C1CC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360549 1009987139 /nfs/dbraw/zinc/98/71/39/1009987139.db2.gz LNFQCAUESYUXEY-QHCPKHFHSA-N 2 0 406.574 3.648 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067542 1010085911 /nfs/dbraw/zinc/08/59/11/1010085911.db2.gz YBKORMXYKOJIQN-RTBURBONSA-N 2 0 424.580 3.796 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000550932780 1010265160 /nfs/dbraw/zinc/26/51/60/1010265160.db2.gz NIEAWPXDIJLFFU-WLXPTCNVSA-N 2 0 421.585 3.699 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426730 1010299995 /nfs/dbraw/zinc/29/99/95/1010299995.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 2 0 408.590 3.566 20 0 HHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426728 1010300272 /nfs/dbraw/zinc/30/02/72/1010300272.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 2 0 408.590 3.566 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC000521323084 1010305448 /nfs/dbraw/zinc/30/54/48/1010305448.db2.gz AZWYLHOUKAZQQN-PKTZIBPZSA-N 2 0 400.611 3.708 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547502906 1010329895 /nfs/dbraw/zinc/32/98/95/1010329895.db2.gz KUWQYYYJBIIIFB-GFKHSOBKSA-N 2 0 403.570 3.644 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547502907 1010330571 /nfs/dbraw/zinc/33/05/71/1010330571.db2.gz KUWQYYYJBIIIFB-WLXSAPIGSA-N 2 0 403.570 3.644 20 0 HHADRP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@@H]1c1ccccc1 ZINC000551130101 1010390822 /nfs/dbraw/zinc/39/08/22/1010390822.db2.gz RZLGOGZSZDXCSZ-DNQXCXABSA-N 2 0 406.574 3.631 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521509398 1010424030 /nfs/dbraw/zinc/42/40/30/1010424030.db2.gz CAXBREXZYUGFTN-DNQXCXABSA-N 2 0 424.589 3.743 20 0 HHADRP C[C@H](CC[NH+](C)C)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521603225 1010499083 /nfs/dbraw/zinc/49/90/83/1010499083.db2.gz ILMJEESGAOIFEY-MRXNPFEDSA-N 2 0 415.409 3.941 20 0 HHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000551317474 1010513149 /nfs/dbraw/zinc/51/31/49/1010513149.db2.gz ZMSYEHLQQNFMGA-UHFFFAOYSA-N 2 0 401.576 3.591 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCC1 ZINC000548079113 1010522152 /nfs/dbraw/zinc/52/21/52/1010522152.db2.gz MZTLRDPNBMKZSA-QHCPKHFHSA-N 2 0 407.558 3.858 20 0 HHADRP Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(OCC[NH+](C)C)c1 ZINC000551338370 1010524871 /nfs/dbraw/zinc/52/48/71/1010524871.db2.gz DFVGUCJEQCOQPF-HZPDHXFCSA-N 2 0 415.500 3.783 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671260 1010539373 /nfs/dbraw/zinc/53/93/73/1010539373.db2.gz GSKQKSVBJIWVNL-PQNGQFLHSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000521671261 1010539717 /nfs/dbraw/zinc/53/97/17/1010539717.db2.gz GSKQKSVBJIWVNL-ZFGGDYGUSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000548295694 1010583843 /nfs/dbraw/zinc/58/38/43/1010583843.db2.gz UGULYIMEFJDLDZ-RUZDIDTESA-N 2 0 406.574 3.777 20 0 HHADRP COc1ncc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000551532946 1010643077 /nfs/dbraw/zinc/64/30/77/1010643077.db2.gz GNOFRDXFFKFZAD-GOSISDBHSA-N 2 0 402.970 3.997 20 0 HHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(I)c2)[C@@H](C)C1 ZINC000551537453 1010645250 /nfs/dbraw/zinc/64/52/50/1010645250.db2.gz JGJXLFCOZLUTBK-MAUKXSAKSA-N 2 0 416.347 3.518 20 0 HHADRP COc1cccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)c1 ZINC000548735872 1010718120 /nfs/dbraw/zinc/71/81/20/1010718120.db2.gz NIKAPPOUCFJSDK-DEOSSOPVSA-N 2 0 407.558 3.858 20 0 HHADRP C[C@H](c1ccccc1Cl)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522125872 1010824399 /nfs/dbraw/zinc/82/43/99/1010824399.db2.gz ZQAOVWOLEQQJDU-GOSISDBHSA-N 2 0 415.969 3.650 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000522173915 1010847251 /nfs/dbraw/zinc/84/72/51/1010847251.db2.gz ANNFJYMQGCSWEW-HSZRJFAPSA-N 2 0 400.611 3.881 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)ccc1F ZINC000522379994 1010969390 /nfs/dbraw/zinc/96/93/90/1010969390.db2.gz URXBSUBIVNGOFB-IBGZPJMESA-N 2 0 401.501 3.555 20 0 HHADRP CC1CCC([NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421256 1010998671 /nfs/dbraw/zinc/99/86/71/1010998671.db2.gz RSCJVNVPKNZYMD-KBWCOIMZSA-N 2 0 418.651 3.866 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000522466688 1011029722 /nfs/dbraw/zinc/02/97/22/1011029722.db2.gz DIUCNZKZIKPMTM-NRFANRHFSA-N 2 0 416.541 3.637 20 0 HHADRP COC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000540600605 1011254766 /nfs/dbraw/zinc/25/47/66/1011254766.db2.gz SIWOUTBOJAFVGX-UHFFFAOYSA-N 2 0 421.463 3.534 20 0 HHADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000536157361 1011282247 /nfs/dbraw/zinc/28/22/47/1011282247.db2.gz GPBOUYSGNBCKSC-WIYYLYMNSA-N 2 0 416.635 3.670 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCCC1 ZINC000522849377 1011288490 /nfs/dbraw/zinc/28/84/90/1011288490.db2.gz QRDFRTOQAJAGSN-QHCPKHFHSA-N 2 0 416.525 3.823 20 0 HHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000536162761 1011291226 /nfs/dbraw/zinc/29/12/26/1011291226.db2.gz HLWMTIKFTVNWMA-UHFFFAOYSA-N 2 0 409.290 3.793 20 0 HHADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)cc2)CC1 ZINC000522852743 1011292912 /nfs/dbraw/zinc/29/29/12/1011292912.db2.gz VWYYDSBHVGRGKB-RUZDIDTESA-N 2 0 420.601 3.704 20 0 HHADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1F ZINC000540651430 1011304553 /nfs/dbraw/zinc/30/45/53/1011304553.db2.gz AETJDRQSMKANFF-WOJBJXKFSA-N 2 0 423.532 3.974 20 0 HHADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC000536204450 1011348875 /nfs/dbraw/zinc/34/88/75/1011348875.db2.gz PTKDWHNELLROKK-TZRRMPRUSA-N 2 0 422.573 3.577 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000536231428 1011380513 /nfs/dbraw/zinc/38/05/13/1011380513.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 2 0 421.589 3.523 20 0 HHADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000540789309 1011449780 /nfs/dbraw/zinc/44/97/80/1011449780.db2.gz UUCNWQJZIIOVQC-PMACEKPBSA-N 2 0 418.006 3.756 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000523179773 1011665104 /nfs/dbraw/zinc/66/51/04/1011665104.db2.gz JLVDLYPZQJUMHS-LJQANCHMSA-N 2 0 400.592 3.607 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C[NH+](C)C ZINC000536460388 1011681308 /nfs/dbraw/zinc/68/13/08/1011681308.db2.gz UKCABBKABKXALC-QOKNQOGYSA-N 2 0 412.981 3.747 20 0 HHADRP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536485383 1011697188 /nfs/dbraw/zinc/69/71/88/1011697188.db2.gz JLVABYBXTONJAK-HXUWFJFHSA-N 2 0 411.615 3.783 20 0 HHADRP CC(C)[NH+](CCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000536584562 1011746562 /nfs/dbraw/zinc/74/65/62/1011746562.db2.gz STWUKWJKUKQXQQ-UHFFFAOYSA-N 2 0 403.615 3.838 20 0 HHADRP CC(C)c1ccc(CN(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000523313386 1011789329 /nfs/dbraw/zinc/78/93/29/1011789329.db2.gz AVBKNRQDCAZRJO-UHFFFAOYSA-N 2 0 409.578 3.559 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523340568 1011818967 /nfs/dbraw/zinc/81/89/67/1011818967.db2.gz KPGCDWYDXDUBBC-OAQYLSRUSA-N 2 0 414.981 3.537 20 0 HHADRP COC(=O)COc1c(C)cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC000536673598 1011830685 /nfs/dbraw/zinc/83/06/85/1011830685.db2.gz OZXBSBDEUDAUIU-JOCHJYFZSA-N 2 0 410.558 3.809 20 0 HHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000536724799 1011896147 /nfs/dbraw/zinc/89/61/47/1011896147.db2.gz UZDJYQXEPAYRCV-HSZRJFAPSA-N 2 0 410.537 3.955 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536745379 1011929562 /nfs/dbraw/zinc/92/95/62/1011929562.db2.gz QQFKUXZWMBSNHJ-UHFFFAOYSA-N 2 0 409.578 3.639 20 0 HHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816541 1011974286 /nfs/dbraw/zinc/97/42/86/1011974286.db2.gz AIHGUBAWHWXGLF-CPJSRVTESA-N 2 0 408.590 3.555 20 0 HHADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536783886 1011996557 /nfs/dbraw/zinc/99/65/57/1011996557.db2.gz JPOYJQINEZKQTP-UHFFFAOYSA-N 2 0 409.578 3.508 20 0 HHADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000551908455 1012019866 /nfs/dbraw/zinc/01/98/66/1012019866.db2.gz VGIDQUAJOICYBB-UHFFFAOYSA-N 2 0 423.601 3.934 20 0 HHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536835496 1012065498 /nfs/dbraw/zinc/06/54/98/1012065498.db2.gz ZTYIQTVVPOARTE-KMFTYDHNSA-N 2 0 407.624 3.631 20 0 HHADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000552047567 1012066971 /nfs/dbraw/zinc/06/69/71/1012066971.db2.gz QUUMSWBVTYKEIE-OSFYOIPJSA-N 2 0 415.603 3.689 20 0 HHADRP CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000552051135 1012069734 /nfs/dbraw/zinc/06/97/34/1012069734.db2.gz JTQDTGVHZYLJOV-UHFFFAOYSA-N 2 0 419.577 3.980 20 0 HHADRP Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552054895 1012073204 /nfs/dbraw/zinc/07/32/04/1012073204.db2.gz RXNIIWXYTMTWHC-UEQSERJNSA-N 2 0 407.606 3.669 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057907 1012074828 /nfs/dbraw/zinc/07/48/28/1012074828.db2.gz MJTPEAVEYGAADN-GOTSBHOMSA-N 2 0 408.030 3.736 20 0 HHADRP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552060028 1012078227 /nfs/dbraw/zinc/07/82/27/1012078227.db2.gz DWLLZPLAECJPTN-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP c1nnn(Cc2ccccc2)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552060318 1012078662 /nfs/dbraw/zinc/07/86/62/1012078662.db2.gz NXAYCZJVWFCXHE-UHFFFAOYSA-N 2 0 401.558 3.815 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000536857535 1012091190 /nfs/dbraw/zinc/09/11/90/1012091190.db2.gz KSYGGHKWRSAOMS-KRWDZBQOSA-N 2 0 417.500 3.964 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000536859282 1012093008 /nfs/dbraw/zinc/09/30/08/1012093008.db2.gz SZTUQVQVXKHWQN-GVDBMIGSSA-N 2 0 411.974 3.545 20 0 HHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000536862344 1012096634 /nfs/dbraw/zinc/09/66/34/1012096634.db2.gz HYGPZGLYZRLDTE-HNNXBMFYSA-N 2 0 404.352 3.591 20 0 HHADRP C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552097166 1012112846 /nfs/dbraw/zinc/11/28/46/1012112846.db2.gz VGXOHGPZWBMDFI-INIZCTEOSA-N 2 0 418.969 3.564 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000536874560 1012115637 /nfs/dbraw/zinc/11/56/37/1012115637.db2.gz DLGLHBOPPCPANU-HXUWFJFHSA-N 2 0 406.574 3.824 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+]2CCCC2)o1 ZINC000523644471 1012236897 /nfs/dbraw/zinc/23/68/97/1012236897.db2.gz JTXLZIJFKULZNL-OAQYLSRUSA-N 2 0 416.541 3.637 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000523646024 1012238033 /nfs/dbraw/zinc/23/80/33/1012238033.db2.gz PHNLEWUGTKHCCU-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536948809 1012250737 /nfs/dbraw/zinc/25/07/37/1012250737.db2.gz BECKTIKAQRQGGD-GOSISDBHSA-N 2 0 423.582 3.913 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273452 1012287138 /nfs/dbraw/zinc/28/71/38/1012287138.db2.gz AZXSDAVOFXHAPT-JOCHJYFZSA-N 2 0 410.610 3.954 20 0 HHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000523706457 1012312167 /nfs/dbraw/zinc/31/21/67/1012312167.db2.gz NQWCTGGJQPJBNG-LJQANCHMSA-N 2 0 422.573 3.772 20 0 HHADRP Fc1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)cc1 ZINC000541550784 1012336652 /nfs/dbraw/zinc/33/66/52/1012336652.db2.gz LKMDGBAEYKJGFX-RUZDIDTESA-N 2 0 404.533 3.718 20 0 HHADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000523791467 1012448036 /nfs/dbraw/zinc/44/80/36/1012448036.db2.gz ARVHBPDRVAZFKV-HXUWFJFHSA-N 2 0 400.611 3.934 20 0 HHADRP Cc1c(C)c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000552610782 1012613048 /nfs/dbraw/zinc/61/30/48/1012613048.db2.gz YEMBHEVRYDUFNX-BRSBDYLESA-N 2 0 414.594 3.926 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000523907840 1012625456 /nfs/dbraw/zinc/62/54/56/1012625456.db2.gz HPBFFKDPNCRCGR-HYBUGGRVSA-N 2 0 408.590 3.684 20 0 HHADRP COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000537205159 1012627101 /nfs/dbraw/zinc/62/71/01/1012627101.db2.gz WVFJDXJXTQUSOR-NRFANRHFSA-N 2 0 423.601 3.759 20 0 HHADRP CCOC(=O)C1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000537209482 1012631892 /nfs/dbraw/zinc/63/18/92/1012631892.db2.gz RUTPWNUKELOLAK-UHFFFAOYSA-N 2 0 401.595 3.609 20 0 HHADRP CN(CCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1cc[nH+]cc1 ZINC000541857059 1012739225 /nfs/dbraw/zinc/73/92/25/1012739225.db2.gz AVKMQGCVDDYRTH-UHFFFAOYSA-N 2 0 408.468 3.517 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000552775653 1012780178 /nfs/dbraw/zinc/78/01/78/1012780178.db2.gz NYYPQMQCICICMO-DEOSSOPVSA-N 2 0 423.605 3.502 20 0 HHADRP COc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[NH+]2CCCCC2)cc1 ZINC000552845297 1012852880 /nfs/dbraw/zinc/85/28/80/1012852880.db2.gz WNUQRLMXLVIJOA-XMMPIXPASA-N 2 0 409.574 3.756 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000542026293 1012920833 /nfs/dbraw/zinc/92/08/33/1012920833.db2.gz MIEBBCRGMBGTJT-UHFFFAOYSA-N 2 0 406.590 3.931 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000524135941 1012921787 /nfs/dbraw/zinc/92/17/87/1012921787.db2.gz XTEZXUQUDJWIPQ-NFBKMPQASA-N 2 0 400.611 3.803 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000552922581 1012922999 /nfs/dbraw/zinc/92/29/99/1012922999.db2.gz KKOCSKFGSGDKPJ-HXUWFJFHSA-N 2 0 401.938 3.635 20 0 HHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000524190016 1012994059 /nfs/dbraw/zinc/99/40/59/1012994059.db2.gz KYCAHVMCRSHGNJ-PXNSSMCTSA-N 2 0 400.592 3.876 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000524190017 1012994295 /nfs/dbraw/zinc/99/42/95/1012994295.db2.gz KYCAHVMCRSHGNJ-XLIONFOSSA-N 2 0 400.592 3.876 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488203603 1072122493 /nfs/dbraw/zinc/12/24/93/1072122493.db2.gz QCBKENAFPIZVIV-NRFANRHFSA-N 2 0 412.622 3.934 20 0 HHADRP Cc1noc([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000729815150 1072129812 /nfs/dbraw/zinc/12/98/12/1072129812.db2.gz PUSMSEOUCHWNQR-BGYRXZFFSA-N 2 0 416.570 3.689 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1ccc(C)cc1)CCO3)C2 ZINC001168274371 1072149381 /nfs/dbraw/zinc/14/93/81/1072149381.db2.gz SIOBPTNAKVJYLS-DEOSSOPVSA-N 2 0 406.570 3.838 20 0 HHADRP C[NH+](C)C1CCC([NH2+]C2(Cc3cccnc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168305728 1072477171 /nfs/dbraw/zinc/47/71/71/1072477171.db2.gz LXCGPRDXJNVBLL-UHFFFAOYSA-N 2 0 416.610 3.856 20 0 HHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000586857882 1072480102 /nfs/dbraw/zinc/48/01/02/1072480102.db2.gz LXTBJWFUCQBUFF-SRUXOGRHSA-N 2 0 400.611 3.564 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCC3(F)F)CC1 ZINC001168313371 1072494651 /nfs/dbraw/zinc/49/46/51/1072494651.db2.gz ANDPFCMRCWLUKF-UHYCVJNDSA-N 2 0 401.542 3.827 20 0 HHADRP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2)c1 ZINC000760531247 1072556797 /nfs/dbraw/zinc/55/67/97/1072556797.db2.gz SAGGQCZPKCFWAO-DEOSSOPVSA-N 2 0 421.585 3.813 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000571341896 1072607117 /nfs/dbraw/zinc/60/71/17/1072607117.db2.gz KNUPEXPFHMRTPL-RPWUZVMVSA-N 2 0 418.585 3.587 20 0 HHADRP Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380468 1072707634 /nfs/dbraw/zinc/70/76/34/1072707634.db2.gz SWBAGZPKPCDILD-LOSJGSFVSA-N 2 0 413.606 3.652 20 0 HHADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000571805484 1072858293 /nfs/dbraw/zinc/85/82/93/1072858293.db2.gz DYPOTJCNFOLUQT-UHFFFAOYSA-N 2 0 400.514 3.754 20 0 HHADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000588217684 1072917492 /nfs/dbraw/zinc/91/74/92/1072917492.db2.gz DXEBWNOMYXYXJL-LJQANCHMSA-N 2 0 424.564 3.664 20 0 HHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000554875129 1072919493 /nfs/dbraw/zinc/91/94/93/1072919493.db2.gz SRQJVLPHSRTCIV-UHFFFAOYSA-N 2 0 411.590 3.909 20 0 HHADRP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(F)c1F ZINC001143605127 1072964922 /nfs/dbraw/zinc/96/49/22/1072964922.db2.gz JXJCDNDRYLZLNW-UHFFFAOYSA-N 2 0 401.501 3.783 20 0 HHADRP C[NH+](C)C[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000555113349 1073169257 /nfs/dbraw/zinc/16/92/57/1073169257.db2.gz YCUMDEJTAIARJJ-FQEVSTJZSA-N 2 0 415.969 3.827 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000555187919 1073249027 /nfs/dbraw/zinc/24/90/27/1073249027.db2.gz ABBYGTXIGHLLGF-OAQYLSRUSA-N 2 0 402.970 3.546 20 0 HHADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000555209929 1073250290 /nfs/dbraw/zinc/25/02/90/1073250290.db2.gz NZCNTYYYUVQGHC-NHCUHLMSSA-N 2 0 423.601 3.840 20 0 HHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000555215746 1073267466 /nfs/dbraw/zinc/26/74/66/1073267466.db2.gz YTZITEHWBSXMLO-QHCPKHFHSA-N 2 0 412.622 3.947 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000555318698 1073330915 /nfs/dbraw/zinc/33/09/15/1073330915.db2.gz IBYMFFZLMFCROP-JHBZICRXSA-N 2 0 402.966 3.826 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000590123221 1073570741 /nfs/dbraw/zinc/57/07/41/1073570741.db2.gz WRRRABVMGHOCBT-SJORKVTESA-N 2 0 400.394 3.829 20 0 HHADRP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)c2)CC1 ZINC000590355194 1073759112 /nfs/dbraw/zinc/75/91/12/1073759112.db2.gz QNHZQSHUZWYLDI-UHFFFAOYSA-N 2 0 400.611 3.792 20 0 HHADRP CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+]1CCCCC1 ZINC000591177874 1074144883 /nfs/dbraw/zinc/14/48/83/1074144883.db2.gz XZQXKNJASUSQSK-QHCPKHFHSA-N 2 0 414.594 3.950 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591419197 1074282868 /nfs/dbraw/zinc/28/28/68/1074282868.db2.gz GGLBYSMPKYLKAS-FYYLOGMGSA-N 2 0 421.585 3.944 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000591557113 1074404550 /nfs/dbraw/zinc/40/45/50/1074404550.db2.gz BHAOHBGCXHCJLH-GHTZIAJQSA-N 2 0 407.002 3.897 20 0 HHADRP O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592323002 1074715361 /nfs/dbraw/zinc/71/53/61/1074715361.db2.gz GNGLZXXHPGEEAK-VWLOTQADSA-N 2 0 405.586 3.853 20 0 HHADRP C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574096182 1075166531 /nfs/dbraw/zinc/16/65/31/1075166531.db2.gz MTFDLWIHFZTFCW-MMTHZHQFSA-N 2 0 421.585 3.523 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000593497908 1075204233 /nfs/dbraw/zinc/20/42/33/1075204233.db2.gz DCRYVDOYPNMKAD-UHFFFAOYSA-N 2 0 410.562 3.935 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000593500464 1075204971 /nfs/dbraw/zinc/20/49/71/1075204971.db2.gz IKUAYICCTZZABL-UHFFFAOYSA-N 2 0 402.583 3.747 20 0 HHADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000593501326 1075205260 /nfs/dbraw/zinc/20/52/60/1075205260.db2.gz RDNCKJDQWATFIC-OAQYLSRUSA-N 2 0 402.514 3.581 20 0 HHADRP COC1CCN(C2(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CCCC2)CC1 ZINC000594069264 1075260817 /nfs/dbraw/zinc/26/08/17/1075260817.db2.gz LHOOYOTUOCRULC-UHFFFAOYSA-N 2 0 415.622 3.674 20 0 HHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594291930 1075278588 /nfs/dbraw/zinc/27/85/88/1075278588.db2.gz QDLLCWMNTPJSIN-NHCUHLMSSA-N 2 0 404.986 3.747 20 0 HHADRP c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1-c1ccc(C[NH+]3CCCC3)cc1)CN2 ZINC000595141568 1075407845 /nfs/dbraw/zinc/40/78/45/1075407845.db2.gz NXIVNMSBCJATGN-NRFANRHFSA-N 2 0 401.558 3.977 20 0 HHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000575020534 1075444381 /nfs/dbraw/zinc/44/43/81/1075444381.db2.gz UQVDKKNXZDKDJR-HNNXBMFYSA-N 2 0 412.391 3.667 20 0 HHADRP COc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1cccs1 ZINC000602277351 1075725879 /nfs/dbraw/zinc/72/58/79/1075725879.db2.gz LENGJJAAQWCQDL-LJQANCHMSA-N 2 0 415.603 3.594 20 0 HHADRP Fc1cccc(N(c2ncccc2C[NH+]2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164646744 719297044 /nfs/dbraw/zinc/29/70/44/719297044.db2.gz BOXRPSMFUOQWQW-ISKFKSNPSA-N 2 0 410.537 3.866 20 0 HHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164837566 720710506 /nfs/dbraw/zinc/71/05/06/720710506.db2.gz DRMLIBDEXTXOQU-DEOSSOPVSA-N 2 0 420.601 3.937 20 0 HHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001165022659 721842353 /nfs/dbraw/zinc/84/23/53/721842353.db2.gz RHHYUIJJDFHFIJ-UHFFFAOYSA-N 2 0 410.562 3.800 20 0 HHADRP C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996147 722211893 /nfs/dbraw/zinc/21/18/93/722211893.db2.gz MBTCKJWXATXDDE-RUZDIDTESA-N 2 0 424.564 3.939 20 0 HHADRP Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000301444140 970930984 /nfs/dbraw/zinc/93/09/84/970930984.db2.gz JMGDHBDOTZWXFB-INIZCTEOSA-N 2 0 404.352 3.773 20 0 HHADRP COC(=O)CN1CCC([NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000553095085 1013061206 /nfs/dbraw/zinc/06/12/06/1013061206.db2.gz FFDOAPFCWIHSFX-UHFFFAOYSA-N 2 0 421.585 3.676 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)Cc2cccc(OC)n2)CC1 ZINC000542146646 1013081905 /nfs/dbraw/zinc/08/19/05/1013081905.db2.gz JCWMZASKVOHJSQ-ROUUACIJSA-N 2 0 400.542 3.653 20 0 HHADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000542148913 1013084676 /nfs/dbraw/zinc/08/46/76/1013084676.db2.gz YSOLNPQHJHNLJU-QGZVFWFLSA-N 2 0 401.551 3.577 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303179536 971545156 /nfs/dbraw/zinc/54/51/56/971545156.db2.gz KBKDWBOHDUKYDN-SFTDATJTSA-N 2 0 402.583 3.714 20 0 HHADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000303210697 971563195 /nfs/dbraw/zinc/56/31/95/971563195.db2.gz RDSIXQGUUZMCCC-HXUWFJFHSA-N 2 0 423.605 3.998 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000303430819 971713038 /nfs/dbraw/zinc/71/30/38/971713038.db2.gz CBCJVZQLGYLHFU-PQSXDXRPSA-N 2 0 412.622 3.849 20 0 HHADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303446217 971739647 /nfs/dbraw/zinc/73/96/47/971739647.db2.gz HASBJMFZRBKZHN-PMENIEFESA-N 2 0 420.601 3.654 20 0 HHADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303446213 971739777 /nfs/dbraw/zinc/73/97/77/971739777.db2.gz HASBJMFZRBKZHN-DNWTWSCESA-N 2 0 420.601 3.654 20 0 HHADRP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000524300484 1013112259 /nfs/dbraw/zinc/11/22/59/1013112259.db2.gz RVFRQGIXOIVZNB-QFBILLFUSA-N 2 0 400.394 3.860 20 0 HHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000303559787 971854742 /nfs/dbraw/zinc/85/47/42/971854742.db2.gz NECDFWNAAAWHMI-UHFFFAOYSA-N 2 0 401.576 3.586 20 0 HHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000303639977 971919197 /nfs/dbraw/zinc/91/91/97/971919197.db2.gz HRGOFJCNJCIDLM-HXUWFJFHSA-N 2 0 424.589 3.652 20 0 HHADRP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000303750157 972002731 /nfs/dbraw/zinc/00/27/31/972002731.db2.gz LIWZLNXLCSOTEF-UHFFFAOYSA-N 2 0 424.589 3.657 20 0 HHADRP c1ncn(Cc2ccc(-c3ccccc3C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000542184280 1013124742 /nfs/dbraw/zinc/12/47/42/1013124742.db2.gz BDQQMZNJDGQYKK-UHFFFAOYSA-N 2 0 401.558 3.957 20 0 HHADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537620383 1013164020 /nfs/dbraw/zinc/16/40/20/1013164020.db2.gz WEBXGWBCGCTERS-UHFFFAOYSA-N 2 0 403.659 3.883 20 0 HHADRP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621820 1013167144 /nfs/dbraw/zinc/16/71/44/1013167144.db2.gz IOZQAIQTHJANDA-RCZVLFRGSA-N 2 0 422.617 3.735 20 0 HHADRP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000542279953 1013239886 /nfs/dbraw/zinc/23/98/86/1013239886.db2.gz GPFFQIDIBHXNBY-WOJBJXKFSA-N 2 0 422.491 3.899 20 0 HHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000553293828 1013250880 /nfs/dbraw/zinc/25/08/80/1013250880.db2.gz LGIKBLRLFWEILO-HNAYVOBHSA-N 2 0 412.441 3.849 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000537777174 1013340229 /nfs/dbraw/zinc/34/02/29/1013340229.db2.gz DVTNCOAMHHYSQT-MRXNPFEDSA-N 2 0 420.388 3.509 20 0 HHADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841944 1013403214 /nfs/dbraw/zinc/40/32/14/1013403214.db2.gz QCLPDMYEODLGFU-OAQYLSRUSA-N 2 0 424.589 3.512 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 ZINC000537847330 1013412992 /nfs/dbraw/zinc/41/29/92/1013412992.db2.gz QXJIIISYYOSLJK-KRWDZBQOSA-N 2 0 401.551 3.576 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000542483880 1013431939 /nfs/dbraw/zinc/43/19/39/1013431939.db2.gz KEJKTFLGCXIQBT-INIZCTEOSA-N 2 0 404.436 3.535 20 0 HHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000542488584 1013435447 /nfs/dbraw/zinc/43/54/47/1013435447.db2.gz JGNDEVZJJYKWPN-NRFANRHFSA-N 2 0 422.617 3.792 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000048712852 964036085 /nfs/dbraw/zinc/03/60/85/964036085.db2.gz FLAYPGSDQFGHRN-HNNXBMFYSA-N 2 0 410.393 3.603 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000050137756 964275556 /nfs/dbraw/zinc/27/55/56/964275556.db2.gz FEBKIONNYQLJNB-FQEVSTJZSA-N 2 0 406.640 3.771 20 0 HHADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccc1S(C)(=O)=O ZINC000537942641 1013526766 /nfs/dbraw/zinc/52/67/66/1013526766.db2.gz JWNBJCZKMTUTRP-QHGAOEGBSA-N 2 0 408.608 3.792 20 0 HHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961120 1013540331 /nfs/dbraw/zinc/54/03/31/1013540331.db2.gz XLKDNVSNIPLIAX-QGZVFWFLSA-N 2 0 400.485 3.733 20 0 HHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000537968729 1013546024 /nfs/dbraw/zinc/54/60/24/1013546024.db2.gz UQUXZMXAHBYJMN-ZACQAIPSSA-N 2 0 415.500 3.902 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1Br ZINC000537973580 1013550412 /nfs/dbraw/zinc/55/04/12/1013550412.db2.gz QWKXVAXSMMMECA-HXUWFJFHSA-N 2 0 418.379 3.981 20 0 HHADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975619 1013551803 /nfs/dbraw/zinc/55/18/03/1013551803.db2.gz WMWYMRQZYBDNMC-SJLPKXTDSA-N 2 0 401.938 3.737 20 0 HHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053749779 965264212 /nfs/dbraw/zinc/26/42/12/965264212.db2.gz KQWAEZXJAJBJOB-RDPSFJRHSA-N 2 0 406.574 3.786 20 0 HHADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043724 965369997 /nfs/dbraw/zinc/36/99/97/965369997.db2.gz JDJXMLVBISXICI-OAQYLSRUSA-N 2 0 412.603 3.849 20 0 HHADRP CC1CC[NH+]([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000057854844 965566093 /nfs/dbraw/zinc/56/60/93/965566093.db2.gz FWONWXBITCZJAM-XMMPIXPASA-N 2 0 412.622 3.977 20 0 HHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000030918962 965832998 /nfs/dbraw/zinc/83/29/98/965832998.db2.gz KXVNBXCTSDUNSO-UHFFFAOYSA-N 2 0 414.981 3.710 20 0 HHADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000058820135 965918593 /nfs/dbraw/zinc/91/85/93/965918593.db2.gz PLGDNWXATOUWFY-HSZRJFAPSA-N 2 0 421.585 3.688 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccs1 ZINC000060244772 966081777 /nfs/dbraw/zinc/08/17/77/966081777.db2.gz AWVXUTRWRMIKJO-AEFFLSMTSA-N 2 0 406.621 3.624 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058512 1013635059 /nfs/dbraw/zinc/63/50/59/1013635059.db2.gz CGGALXKGTOACJL-SFHVURJKSA-N 2 0 423.582 3.913 20 0 HHADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000060979408 966341908 /nfs/dbraw/zinc/34/19/08/966341908.db2.gz FGYYULLAMKJNFC-UHFFFAOYSA-N 2 0 420.557 3.750 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061070835 966365001 /nfs/dbraw/zinc/36/50/01/966365001.db2.gz RSLFCMNJTOQXHW-YADHBBJMSA-N 2 0 410.562 3.770 20 0 HHADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522246 966488467 /nfs/dbraw/zinc/48/84/67/966488467.db2.gz LJYNHTHWSAZFJR-UHFFFAOYSA-N 2 0 406.574 3.530 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000056937876 966522459 /nfs/dbraw/zinc/52/24/59/966522459.db2.gz YFCDEWABYUJYDJ-VQTJNVASSA-N 2 0 402.514 3.548 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000062503107 966693414 /nfs/dbraw/zinc/69/34/14/966693414.db2.gz HWZBFLMJNWIYHR-QFIPXVFZSA-N 2 0 400.542 3.510 20 0 HHADRP C[NH+](C)CCCN(Cc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144131 966760082 /nfs/dbraw/zinc/76/00/82/966760082.db2.gz ODMSYGFGMVWDOY-UHFFFAOYSA-N 2 0 424.658 3.979 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063272106 966798556 /nfs/dbraw/zinc/79/85/56/966798556.db2.gz YPJSGIXPZPESAL-UHFFFAOYSA-N 2 0 401.595 3.792 20 0 HHADRP Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441514 966858374 /nfs/dbraw/zinc/85/83/74/966858374.db2.gz FAERORZKBQJCOE-UHFFFAOYSA-O 2 0 402.971 3.559 20 0 HHADRP Cc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441679 966858450 /nfs/dbraw/zinc/85/84/50/966858450.db2.gz RDUSDPOISDAQHX-UHFFFAOYSA-O 2 0 408.547 3.651 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143728 966916810 /nfs/dbraw/zinc/91/68/10/966916810.db2.gz WHWZJRTUZPLCDA-FQEVSTJZSA-N 2 0 400.592 3.623 20 0 HHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000043143686 966917308 /nfs/dbraw/zinc/91/73/08/966917308.db2.gz PVYPCDRKYQVHKS-HXUWFJFHSA-N 2 0 400.592 3.577 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000043145601 966917829 /nfs/dbraw/zinc/91/78/29/966917829.db2.gz RCVASOARGDQBSA-FQEVSTJZSA-N 2 0 400.592 3.577 20 0 HHADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cc1 ZINC000043145603 966918235 /nfs/dbraw/zinc/91/82/35/966918235.db2.gz RCVASOARGDQBSA-HXUWFJFHSA-N 2 0 400.592 3.577 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000063915744 966997229 /nfs/dbraw/zinc/99/72/29/966997229.db2.gz IYPHCJSECOOIGQ-UHFFFAOYSA-N 2 0 406.574 3.672 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000064229521 967094492 /nfs/dbraw/zinc/09/44/92/967094492.db2.gz LAPJXIVPGFYVJM-UHFFFAOYSA-N 2 0 400.611 3.936 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850555 1013709177 /nfs/dbraw/zinc/70/91/77/1013709177.db2.gz YXNMFGGSOLTCPQ-DYESRHJHSA-N 2 0 419.338 3.932 20 0 HHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000045976451 967614146 /nfs/dbraw/zinc/61/41/46/967614146.db2.gz PLJJBJKULWEYOQ-FQEVSTJZSA-N 2 0 415.626 3.771 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(F)c1 ZINC000047777555 968309828 /nfs/dbraw/zinc/30/98/28/968309828.db2.gz SEYUHELRGBMUIU-WOJBJXKFSA-N 2 0 402.514 3.548 20 0 HHADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220390 968489796 /nfs/dbraw/zinc/48/97/96/968489796.db2.gz NZHBGFSXVOHNJS-UHFFFAOYSA-N 2 0 406.574 3.878 20 0 HHADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000065866106 968688473 /nfs/dbraw/zinc/68/84/73/968688473.db2.gz CWDPLFHLZXZWLY-CVDCTZTESA-N 2 0 409.549 3.601 20 0 HHADRP C[NH+](C)CCN(CC1CCCCC1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066009852 968768111 /nfs/dbraw/zinc/76/81/11/968768111.db2.gz DBCNLFWLNCGSJW-UHFFFAOYSA-N 2 0 416.679 3.969 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297551 1013832847 /nfs/dbraw/zinc/83/28/47/1013832847.db2.gz VECSQURACQLEPZ-WMZHIEFXSA-N 2 0 405.542 3.649 20 0 HHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000554279450 1013891319 /nfs/dbraw/zinc/89/13/19/1013891319.db2.gz LFFMYQQVKIWUFY-YCRPNKLZSA-N 2 0 419.928 3.876 20 0 HHADRP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000110149890 969630176 /nfs/dbraw/zinc/63/01/76/969630176.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 2 0 411.512 3.774 20 0 HHADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000110427353 969666482 /nfs/dbraw/zinc/66/64/82/969666482.db2.gz OHPBTOIDUBEGHT-XARGGIHNSA-N 2 0 415.622 3.854 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000111072571 969772296 /nfs/dbraw/zinc/77/22/96/969772296.db2.gz UJQWBPVXHDTRRP-TYBLODHISA-N 2 0 423.601 3.995 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1O2 ZINC000195702062 969967874 /nfs/dbraw/zinc/96/78/74/969967874.db2.gz HKTFANUMOZTRRK-DHIUTWEWSA-N 2 0 419.569 3.755 20 0 HHADRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)CC1 ZINC000139852059 970048951 /nfs/dbraw/zinc/04/89/51/970048951.db2.gz NUWIBIMVOYPQMF-HXUWFJFHSA-N 2 0 409.496 3.550 20 0 HHADRP CC(C)COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236718263 970162504 /nfs/dbraw/zinc/16/25/04/970162504.db2.gz LVJXQZOYQGTXAW-HSZRJFAPSA-N 2 0 409.574 3.709 20 0 HHADRP CCCCCOc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC ZINC000236783793 970171468 /nfs/dbraw/zinc/17/14/68/970171468.db2.gz BAZOUDZBSIEGQW-UHFFFAOYSA-N 2 0 403.611 3.912 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000236947455 970192890 /nfs/dbraw/zinc/19/28/90/970192890.db2.gz YCGBJABDUONVLU-IBGZPJMESA-N 2 0 416.997 3.677 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000236948587 970193026 /nfs/dbraw/zinc/19/30/26/970193026.db2.gz QHJIOYBBIDFZSL-FQEVSTJZSA-N 2 0 410.606 3.641 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236952667 970193634 /nfs/dbraw/zinc/19/36/34/970193634.db2.gz XDQCPUSVAREJMG-QGZVFWFLSA-N 2 0 404.002 3.506 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000236952090 970194082 /nfs/dbraw/zinc/19/40/82/970194082.db2.gz LBUQNCAWXLWPRJ-HXUWFJFHSA-N 2 0 411.590 3.734 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236974515 970197951 /nfs/dbraw/zinc/19/79/51/970197951.db2.gz ZYFULNMXMGMPJF-SFHVURJKSA-N 2 0 414.981 3.708 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OCCOC)cc2)CC1 ZINC000236985354 970201016 /nfs/dbraw/zinc/20/10/16/970201016.db2.gz SUFOOGUXLLFOCR-IBGZPJMESA-N 2 0 415.553 3.844 20 0 HHADRP CCn1nc(C)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1C ZINC000237034323 970211130 /nfs/dbraw/zinc/21/11/30/970211130.db2.gz YSEPIFOQFICXSO-UHFFFAOYSA-N 2 0 409.500 3.580 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CC1 ZINC000237084117 970219461 /nfs/dbraw/zinc/21/94/61/970219461.db2.gz PIXQTFBWZVRFSW-UHFFFAOYSA-N 2 0 423.992 3.920 20 0 HHADRP COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237155726 970232409 /nfs/dbraw/zinc/23/24/09/970232409.db2.gz GQTPYYZRAARHQT-UHFFFAOYSA-N 2 0 417.981 3.655 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)cc1 ZINC000237172773 970235853 /nfs/dbraw/zinc/23/58/53/970235853.db2.gz NRMXJNWTEMNALI-UHFFFAOYSA-N 2 0 424.770 3.684 20 0 HHADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1Oc1cccnc1 ZINC000237177087 970236067 /nfs/dbraw/zinc/23/60/67/970236067.db2.gz QDOMVUNWHQVKBG-UHFFFAOYSA-N 2 0 418.541 3.764 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1)C1CCOCC1 ZINC000237206266 970241168 /nfs/dbraw/zinc/24/11/68/970241168.db2.gz VYONYCOVXIRXQN-UHFFFAOYSA-N 2 0 420.557 3.652 20 0 HHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000237208276 970241687 /nfs/dbraw/zinc/24/16/87/970241687.db2.gz ZRFHUNSBEIZJND-UHFFFAOYSA-N 2 0 408.409 3.905 20 0 HHADRP COc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1SC ZINC000237240346 970247349 /nfs/dbraw/zinc/24/73/49/970247349.db2.gz NBHHGQDMTWOPGZ-UHFFFAOYSA-N 2 0 413.587 3.533 20 0 HHADRP COc1ccccc1[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000237255877 970249559 /nfs/dbraw/zinc/24/95/59/970249559.db2.gz YUYQYHCBYFHUEE-QHCPKHFHSA-N 2 0 421.585 3.660 20 0 HHADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000145400700 970259813 /nfs/dbraw/zinc/25/98/13/970259813.db2.gz UJOTYPPWZUOINB-OAQYLSRUSA-N 2 0 412.603 3.534 20 0 HHADRP C[C@H]1CCC[N@H+](CCCCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000145598024 970266293 /nfs/dbraw/zinc/26/62/93/970266293.db2.gz NULHTHXPMHLLLH-FQEVSTJZSA-N 2 0 402.652 3.627 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237342562 970267067 /nfs/dbraw/zinc/26/70/67/970267067.db2.gz BRHZKSZUKFOXOM-OAQYLSRUSA-N 2 0 405.586 3.999 20 0 HHADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000145657630 970268049 /nfs/dbraw/zinc/26/80/49/970268049.db2.gz QPZJQRKJOYFQDJ-JOCHJYFZSA-N 2 0 414.594 3.557 20 0 HHADRP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000237391174 970276429 /nfs/dbraw/zinc/27/64/29/970276429.db2.gz JHQJTCGBKBNNME-IBGZPJMESA-N 2 0 410.558 3.961 20 0 HHADRP COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc12 ZINC000237462672 970293073 /nfs/dbraw/zinc/29/30/73/970293073.db2.gz QKERPWJZSIZGAX-UHFFFAOYSA-N 2 0 417.553 3.964 20 0 HHADRP C[C@H]1C[NH+](CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000237607838 970320917 /nfs/dbraw/zinc/32/09/17/970320917.db2.gz CIMYIGPXIOEZOC-HOTGVXAUSA-N 2 0 409.368 3.704 20 0 HHADRP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000554583012 1013982452 /nfs/dbraw/zinc/98/24/52/1013982452.db2.gz PTOIVJGDOPUFLM-PMACEKPBSA-N 2 0 400.611 3.696 20 0 HHADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000149017081 970379396 /nfs/dbraw/zinc/37/93/96/970379396.db2.gz AQFDKOWJMMYXPU-QUCCMNQESA-N 2 0 416.591 3.689 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237923211 970395460 /nfs/dbraw/zinc/39/54/60/970395460.db2.gz BDWHYCADNFEKEC-XMMPIXPASA-N 2 0 420.601 3.664 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000247527318 970475196 /nfs/dbraw/zinc/47/51/96/970475196.db2.gz ZUHRIOFBCWDMPL-YADHBBJMSA-N 2 0 411.615 3.989 20 0 HHADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000248165911 970517478 /nfs/dbraw/zinc/51/74/78/970517478.db2.gz OHPBTOIDUBEGHT-CIEVZJJWSA-N 2 0 415.622 3.854 20 0 HHADRP OC1(C[NH2+]Cc2cc(Br)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397504513 972871600 /nfs/dbraw/zinc/87/16/00/972871600.db2.gz BUVIQYSQKSZKTN-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP OC1(C[NH2+]Cc2ccc(F)c(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397538219 972872198 /nfs/dbraw/zinc/87/21/98/972872198.db2.gz KGWHEUHCGRMSJN-UHFFFAOYSA-N 2 0 407.327 3.705 20 0 HHADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000409636346 973084621 /nfs/dbraw/zinc/08/46/21/973084621.db2.gz BXOAYVLZXMHLTF-UHFFFAOYSA-N 2 0 420.601 3.501 20 0 HHADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000410306653 973846519 /nfs/dbraw/zinc/84/65/19/973846519.db2.gz NMXSKSYQMUTCST-DEOSSOPVSA-N 2 0 414.638 3.893 20 0 HHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000410351751 973941951 /nfs/dbraw/zinc/94/19/51/973941951.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 2 0 420.601 3.992 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000410361623 973954628 /nfs/dbraw/zinc/95/46/28/973954628.db2.gz CNKLURHFFMRKOC-NRFANRHFSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974284 /nfs/dbraw/zinc/97/42/84/973974284.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 2 0 420.601 3.992 20 0 HHADRP C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000410403955 974003854 /nfs/dbraw/zinc/00/38/54/974003854.db2.gz GEUPKPHNQMQPPZ-UHFFFAOYSA-N 2 0 424.589 3.612 20 0 HHADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000425921693 974032762 /nfs/dbraw/zinc/03/27/62/974032762.db2.gz RLISNUKIWYEFTK-UHFFFAOYSA-N 2 0 421.585 3.830 20 0 HHADRP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)CCC(F)(F)F ZINC000425997797 974112646 /nfs/dbraw/zinc/11/26/46/974112646.db2.gz YXRBWTULZBAOGM-GOSISDBHSA-N 2 0 414.516 3.567 20 0 HHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426019604 974139705 /nfs/dbraw/zinc/13/97/05/974139705.db2.gz FTPUQGVKQMEWMB-AUSIDOKSSA-N 2 0 400.998 3.882 20 0 HHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000426785338 974657445 /nfs/dbraw/zinc/65/74/45/974657445.db2.gz PGECZJNAIZYDRV-ROUUACIJSA-N 2 0 418.607 3.942 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)C[C@@H](C)O1 ZINC000427356690 975074737 /nfs/dbraw/zinc/07/47/37/975074737.db2.gz HMPCUPNWGMIYKZ-NHCUHLMSSA-N 2 0 413.606 3.634 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000428107971 975440630 /nfs/dbraw/zinc/44/06/30/975440630.db2.gz ORSJCFMKUGAIFK-CEMLEFRQSA-N 2 0 410.562 3.769 20 0 HHADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000428264300 975578886 /nfs/dbraw/zinc/57/88/86/975578886.db2.gz UXGLSJJWXXTXTF-TYBLODHISA-N 2 0 420.601 3.786 20 0 HHADRP CN(c1ccccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000428556418 975868872 /nfs/dbraw/zinc/86/88/72/975868872.db2.gz FUPLXLKOBGNQNX-UKILVPOCSA-N 2 0 411.565 3.612 20 0 HHADRP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000428900497 976202458 /nfs/dbraw/zinc/20/24/58/976202458.db2.gz HVNCBYOTCPNANS-IFMALSPDSA-N 2 0 424.589 3.968 20 0 HHADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000428921910 976222049 /nfs/dbraw/zinc/22/20/49/976222049.db2.gz ONFOYINVWIBYKE-BHDDXSALSA-N 2 0 422.658 3.562 20 0 HHADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCCC[NH+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222464 /nfs/dbraw/zinc/22/24/64/976222464.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 2 0 422.658 3.562 20 0 HHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000429222412 976516085 /nfs/dbraw/zinc/51/60/85/976516085.db2.gz VKLIHPXNFYTFRP-FQEVSTJZSA-N 2 0 414.594 3.637 20 0 HHADRP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421943 976699785 /nfs/dbraw/zinc/69/97/85/976699785.db2.gz YBHBFJUOEDSWEJ-PXDATVDWSA-N 2 0 411.590 3.569 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)[C@@H](C)C1 ZINC000429457595 976731604 /nfs/dbraw/zinc/73/16/04/976731604.db2.gz UZFGGXDZLRDIOZ-ZMUKGBGYSA-N 2 0 406.586 3.626 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754131 /nfs/dbraw/zinc/75/41/31/976754131.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 2 0 414.638 3.974 20 0 HHADRP COc1ccccc1-n1nccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000430757609 977734743 /nfs/dbraw/zinc/73/47/43/977734743.db2.gz WUYCOZZFJOGKOF-BGYRXZFFSA-N 2 0 412.578 3.592 20 0 HHADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430914279 977882928 /nfs/dbraw/zinc/88/29/28/977882928.db2.gz IXMQLEDYRWEEOP-SFHVURJKSA-N 2 0 421.029 3.795 20 0 HHADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C/C=C/c1cccc(F)c1 ZINC000431054740 977983342 /nfs/dbraw/zinc/98/33/42/977983342.db2.gz UNTILJXFIAAMBG-GQCTYLIASA-N 2 0 401.570 3.884 20 0 HHADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000431631788 978397317 /nfs/dbraw/zinc/39/73/17/978397317.db2.gz SUKIBAKHRZZIFQ-HXUWFJFHSA-N 2 0 406.640 3.942 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000431676750 978429612 /nfs/dbraw/zinc/42/96/12/978429612.db2.gz AIMYUDKFQAZJCS-AGILITTLSA-N 2 0 408.590 3.512 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431689427 978437411 /nfs/dbraw/zinc/43/74/11/978437411.db2.gz YYCFLGJWZFNOES-QPPBQGQZSA-N 2 0 408.590 3.813 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000431691679 978438619 /nfs/dbraw/zinc/43/86/19/978438619.db2.gz LRCVUEKGLXFFDU-DENIHFKCSA-N 2 0 412.578 3.714 20 0 HHADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000431786613 978512884 /nfs/dbraw/zinc/51/28/84/978512884.db2.gz SZVNIOMHAMQKNE-WZONZLPQSA-N 2 0 416.585 3.552 20 0 HHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCO1 ZINC000432357382 978775922 /nfs/dbraw/zinc/77/59/22/978775922.db2.gz LMSXBZGUUPQZBH-OAQYLSRUSA-N 2 0 419.573 3.584 20 0 HHADRP COc1cc(C[NH+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000432791801 978975220 /nfs/dbraw/zinc/97/52/20/978975220.db2.gz IBLPFWAWDGOHMX-WXIZQPGUSA-N 2 0 418.622 3.658 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000432824443 978985743 /nfs/dbraw/zinc/98/57/43/978985743.db2.gz SYGYEGLSEZMZKM-SDZTWWDVSA-N 2 0 414.590 3.697 20 0 HHADRP COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000432836229 978987901 /nfs/dbraw/zinc/98/79/01/978987901.db2.gz SVGWZANJNQXWJS-NRFANRHFSA-N 2 0 423.601 3.647 20 0 HHADRP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NCCCc1ccccc1 ZINC000433070122 979058020 /nfs/dbraw/zinc/05/80/20/979058020.db2.gz FTRNDISBWGAQKR-UHFFFAOYSA-N 2 0 405.586 3.724 20 0 HHADRP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118838 979081765 /nfs/dbraw/zinc/08/17/65/979081765.db2.gz ZOBYXTNHRKAVSK-UHFFFAOYSA-N 2 0 416.569 3.534 20 0 HHADRP COc1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000433209517 979143146 /nfs/dbraw/zinc/14/31/46/979143146.db2.gz REWDZYYPYPKXIQ-NDBXHCKUSA-N 2 0 414.590 3.982 20 0 HHADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433388563 979270421 /nfs/dbraw/zinc/27/04/21/979270421.db2.gz VBLNAEHLOONAAZ-KNQAVFIVSA-N 2 0 421.601 3.698 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433916930 979678271 /nfs/dbraw/zinc/67/82/71/979678271.db2.gz BUZXBLUSUDDOFT-MMOPVJDHSA-N 2 0 422.976 3.788 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000435525109 980919865 /nfs/dbraw/zinc/91/98/65/980919865.db2.gz HWVMTDVBQRFHFG-YADHBBJMSA-N 2 0 424.593 3.587 20 0 HHADRP CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000435536745 980927755 /nfs/dbraw/zinc/92/77/55/980927755.db2.gz VFXPFFNFNYQQMB-QFIPXVFZSA-N 2 0 424.593 3.634 20 0 HHADRP CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000435782202 981028968 /nfs/dbraw/zinc/02/89/68/981028968.db2.gz NKXHUGKFZHKIBX-DEOSSOPVSA-N 2 0 402.542 3.706 20 0 HHADRP Fc1ccc(Cn2cc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)cn2)cc1 ZINC000436270163 981278271 /nfs/dbraw/zinc/27/82/71/981278271.db2.gz NMUWBYKRFCKYNX-UHFFFAOYSA-N 2 0 421.564 3.763 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448210408 981623948 /nfs/dbraw/zinc/62/39/48/981623948.db2.gz ZYRWRMMFADRMTC-HFGNEKBZSA-N 2 0 410.606 3.555 20 0 HHADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000448214365 981628636 /nfs/dbraw/zinc/62/86/36/981628636.db2.gz SKJAIBFBDZCKAS-OEMFJLHTSA-N 2 0 412.622 3.598 20 0 HHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000448247316 981651940 /nfs/dbraw/zinc/65/19/40/981651940.db2.gz JZIWIYZMBBADRB-UHFFFAOYSA-N 2 0 420.395 3.948 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)C1 ZINC000448369636 981729155 /nfs/dbraw/zinc/72/91/55/981729155.db2.gz APLMSQIIOZJWSA-PMACEKPBSA-N 2 0 402.583 3.569 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000448467824 981804100 /nfs/dbraw/zinc/80/41/00/981804100.db2.gz RRYWRGSSIYFOQN-PMVMPFDFSA-N 2 0 400.611 3.831 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)[C@@H](C)C1 ZINC000448468504 981806983 /nfs/dbraw/zinc/80/69/83/981806983.db2.gz VLBWCCBUGWWFAQ-JTAQYXEDSA-N 2 0 400.611 3.933 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000460161204 981933949 /nfs/dbraw/zinc/93/39/49/981933949.db2.gz KXDWLJSMDXXAOV-DQEYMECFSA-N 2 0 420.601 3.802 20 0 HHADRP CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000460164585 981937105 /nfs/dbraw/zinc/93/71/05/981937105.db2.gz DFVVDWPBRIZZFH-BJKOFHAPSA-N 2 0 412.622 3.662 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000460168608 981940301 /nfs/dbraw/zinc/94/03/01/981940301.db2.gz JFWARCDXLPDZBQ-NHTMILBNSA-N 2 0 412.622 3.805 20 0 HHADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437644373 982264216 /nfs/dbraw/zinc/26/42/16/982264216.db2.gz VYFZRYGHGGHVEX-VWNXMTODSA-N 2 0 412.622 3.647 20 0 HHADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000437651892 982270357 /nfs/dbraw/zinc/27/03/57/982270357.db2.gz FZTAPSCKXJSHGQ-XMMPIXPASA-N 2 0 412.622 3.790 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000437732767 982324961 /nfs/dbraw/zinc/32/49/61/982324961.db2.gz FLYYLBXQHGPHJQ-HNNXBMFYSA-N 2 0 416.488 3.594 20 0 HHADRP C[C@@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437741503 982330810 /nfs/dbraw/zinc/33/08/10/982330810.db2.gz BVUIMTHAVKQMFE-HXUWFJFHSA-N 2 0 410.562 3.755 20 0 HHADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000438087418 982580738 /nfs/dbraw/zinc/58/07/38/982580738.db2.gz LEKISBRIQHHZSL-SFHVURJKSA-N 2 0 412.578 3.727 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000438106205 982591960 /nfs/dbraw/zinc/59/19/60/982591960.db2.gz SFIDAPTUQYZLMD-NRFANRHFSA-N 2 0 404.624 3.616 20 0 HHADRP CCSc1cc(Cl)ccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000460982067 982706467 /nfs/dbraw/zinc/70/64/67/982706467.db2.gz SDVWOGJIGBLWSD-UHFFFAOYSA-N 2 0 418.994 3.789 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000461088146 982782767 /nfs/dbraw/zinc/78/27/67/982782767.db2.gz LXDPALDZWSWEEK-ILCQWTCRSA-N 2 0 402.579 3.753 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000438846453 983113641 /nfs/dbraw/zinc/11/36/41/983113641.db2.gz BEIOSSBPCCDUMX-NJDAHSKKSA-N 2 0 415.626 3.664 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000439160621 983282582 /nfs/dbraw/zinc/28/25/82/983282582.db2.gz LZWOXHTYJCZEBZ-UHFFFAOYSA-N 2 0 414.619 3.734 20 0 HHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000439199480 983307144 /nfs/dbraw/zinc/30/71/44/983307144.db2.gz NYZIMYYBHYGESP-PKTZIBPZSA-N 2 0 400.611 3.660 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439287996 983346727 /nfs/dbraw/zinc/34/67/27/983346727.db2.gz YKKMUFLTVHEXAM-ZCNNSNEGSA-N 2 0 424.511 3.548 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)[NH+]2CCCC2)cc1 ZINC000439320154 983363355 /nfs/dbraw/zinc/36/33/55/983363355.db2.gz DAUXNAXQDUELHC-JOCHJYFZSA-N 2 0 414.619 3.967 20 0 HHADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000439361494 983379343 /nfs/dbraw/zinc/37/93/43/983379343.db2.gz VBKMRULPSCJSEJ-FXAWDEMLSA-N 2 0 420.648 3.966 20 0 HHADRP Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000439457695 983418978 /nfs/dbraw/zinc/41/89/78/983418978.db2.gz RCTRUMLBDLNOLA-QFIPXVFZSA-N 2 0 424.593 3.588 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)N1CCc2ccccc21 ZINC000439600220 983466625 /nfs/dbraw/zinc/46/66/25/983466625.db2.gz VIMGMMDBIMQDKE-LJQANCHMSA-N 2 0 403.526 3.979 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(F)cc1 ZINC000439608818 983470103 /nfs/dbraw/zinc/47/01/03/983470103.db2.gz BTNZZXUFQBYKKG-GOSISDBHSA-N 2 0 409.505 3.845 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756934 983526617 /nfs/dbraw/zinc/52/66/17/983526617.db2.gz MHWIRZRWXYTKCW-DENIHFKCSA-N 2 0 424.564 3.775 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000440174133 983669410 /nfs/dbraw/zinc/66/94/10/983669410.db2.gz ICBRGSYHLJBNMG-HXUWFJFHSA-N 2 0 415.626 3.761 20 0 HHADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000440505635 983778903 /nfs/dbraw/zinc/77/89/03/983778903.db2.gz OVFQMKPEUTXTDQ-UHFFFAOYSA-N 2 0 422.573 3.744 20 0 HHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000441249382 984137333 /nfs/dbraw/zinc/13/73/33/984137333.db2.gz YKXCWRHJEARMQR-OLMNPRSZSA-N 2 0 400.350 3.506 20 0 HHADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000441521426 984301478 /nfs/dbraw/zinc/30/14/78/984301478.db2.gz HXXAQHIGOPEFFV-OOEPIQFGSA-N 2 0 412.622 3.805 20 0 HHADRP CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)c2)CC1 ZINC000442170712 984693108 /nfs/dbraw/zinc/69/31/08/984693108.db2.gz TYTPDPRWHBOHIQ-UHFFFAOYSA-N 2 0 422.573 3.600 20 0 HHADRP CCCCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462009641 984989530 /nfs/dbraw/zinc/98/95/30/984989530.db2.gz RCZLJTZLHUCTTP-UHFFFAOYSA-N 2 0 407.643 3.959 20 0 HHADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875445 985254457 /nfs/dbraw/zinc/25/44/57/985254457.db2.gz WADVKKNYYPCLCE-GOSISDBHSA-N 2 0 402.583 3.942 20 0 HHADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000462515257 985465840 /nfs/dbraw/zinc/46/58/40/985465840.db2.gz WVLPFSFPAKDHIT-FPOVZHCZSA-N 2 0 418.651 3.508 20 0 HHADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462538343 985486306 /nfs/dbraw/zinc/48/63/06/985486306.db2.gz RPAULOZKURCBFM-MRXNPFEDSA-N 2 0 402.505 3.507 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462747899 985688973 /nfs/dbraw/zinc/68/89/73/985688973.db2.gz YCBQKMQPMYJADQ-HSZRJFAPSA-N 2 0 400.611 3.662 20 0 HHADRP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587652 985763143 /nfs/dbraw/zinc/76/31/43/985763143.db2.gz ATDJBAWRUYBIAZ-HXUWFJFHSA-N 2 0 401.595 3.803 20 0 HHADRP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443610693 985789397 /nfs/dbraw/zinc/78/93/97/985789397.db2.gz ZPFYHWBNGRXOBP-PMACEKPBSA-N 2 0 401.595 3.849 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)CC1 ZINC000462879059 985804060 /nfs/dbraw/zinc/80/40/60/985804060.db2.gz PIGZLYRTOCSVRD-WIOPSUGQSA-N 3 0 418.645 3.995 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000443636947 985820910 /nfs/dbraw/zinc/82/09/10/985820910.db2.gz HFQDYIPDCXTMNB-FAKFISEUSA-N 2 0 400.611 3.646 20 0 HHADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000443698064 985911361 /nfs/dbraw/zinc/91/13/61/985911361.db2.gz ZIRZMHZTNQOSDR-INIZCTEOSA-N 2 0 416.532 3.755 20 0 HHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966284 985912270 /nfs/dbraw/zinc/91/22/70/985912270.db2.gz NIANAZASCHCMLM-JEDBISTDSA-N 2 0 411.384 3.734 20 0 HHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463008317 985961310 /nfs/dbraw/zinc/96/13/10/985961310.db2.gz GRMSLWYFZDXLKE-GBXCKJPGSA-N 2 0 408.590 3.800 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016657 985972872 /nfs/dbraw/zinc/97/28/72/985972872.db2.gz UWVCITSAZHZCTC-YKSBVNFPSA-N 2 0 406.574 3.602 20 0 HHADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000468377798 986077359 /nfs/dbraw/zinc/07/73/59/986077359.db2.gz RBFPWZVVRCDTSK-NYPGBQQYSA-N 2 0 408.590 3.899 20 0 HHADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077704 /nfs/dbraw/zinc/07/77/04/986077704.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 2 0 409.593 3.987 20 0 HHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1Cc1ccccc1 ZINC000463153214 986124278 /nfs/dbraw/zinc/12/42/78/986124278.db2.gz AUJQGDBIDVLFIR-SQJMNOBHSA-N 2 0 407.602 3.786 20 0 HHADRP COC(=O)CCC[NH+]1CCC(Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000463249069 986217546 /nfs/dbraw/zinc/21/75/46/986217546.db2.gz XXQQUIKMYSKNNO-UHFFFAOYSA-N 2 0 401.595 3.791 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000444035243 986231994 /nfs/dbraw/zinc/23/19/94/986231994.db2.gz JCNBBZQLUPMVQO-MJGOQNOKSA-N 2 0 422.017 3.818 20 0 HHADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000468923756 986629653 /nfs/dbraw/zinc/62/96/53/986629653.db2.gz IEHIRWGHSJFAMC-BKMJKUGQSA-N 3 0 406.618 3.829 20 0 HHADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000468924345 986630856 /nfs/dbraw/zinc/63/08/56/986630856.db2.gz IEHIRWGHSJFAMC-NVQXNPDNSA-N 3 0 406.618 3.829 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468932496 986638569 /nfs/dbraw/zinc/63/85/69/986638569.db2.gz MKAFLRGKNQSUCT-UHFFFAOYSA-N 2 0 410.587 3.729 20 0 HHADRP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000469367109 987064549 /nfs/dbraw/zinc/06/45/49/987064549.db2.gz JKVZYQIGWXERQP-XZOQPEGZSA-N 2 0 412.578 3.586 20 0 HHADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000444966222 987098381 /nfs/dbraw/zinc/09/83/81/987098381.db2.gz KEPCUONSDJJTID-VWLOTQADSA-N 2 0 410.606 3.559 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000469719397 987372548 /nfs/dbraw/zinc/37/25/48/987372548.db2.gz DZIFHSUDWDBZLL-MRXNPFEDSA-N 2 0 410.006 3.580 20 0 HHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000469865986 987503467 /nfs/dbraw/zinc/50/34/67/987503467.db2.gz WZEJVQFULNHJCP-NFBKMPQASA-N 2 0 409.578 3.908 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470075813 987974541 /nfs/dbraw/zinc/97/45/41/987974541.db2.gz URRTUDZZFOHLAI-IBGZPJMESA-N 2 0 414.516 3.729 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000463964081 988077136 /nfs/dbraw/zinc/07/71/36/988077136.db2.gz LIGDJGSKVGUUJB-FCHUYYIVSA-N 2 0 410.562 3.580 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000463965944 988078788 /nfs/dbraw/zinc/07/87/88/988078788.db2.gz GDDMLHPIZHQLKB-LQWHRVPQSA-N 2 0 416.591 3.860 20 0 HHADRP C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000470165385 988078785 /nfs/dbraw/zinc/07/87/85/988078785.db2.gz JNYYMUGEPVUAKO-PBHICJAKSA-N 2 0 402.505 3.584 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1cccc(C(F)(F)F)c1 ZINC000470273263 988225808 /nfs/dbraw/zinc/22/58/08/988225808.db2.gz LHYVKMFLWPUDIK-SFHVURJKSA-N 2 0 412.500 3.578 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000470286079 988243092 /nfs/dbraw/zinc/24/30/92/988243092.db2.gz BMKTTZBUOAKUPB-OALUTQOASA-N 2 0 412.500 3.578 20 0 HHADRP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000464326972 988461435 /nfs/dbraw/zinc/46/14/35/988461435.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 2 0 423.523 3.822 20 0 HHADRP CCC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000470868681 988938143 /nfs/dbraw/zinc/93/81/43/988938143.db2.gz QADOKBORELHSIU-UHFFFAOYSA-N 2 0 403.998 3.827 20 0 HHADRP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464768945 988992214 /nfs/dbraw/zinc/99/22/14/988992214.db2.gz CPOWRDYQTIVXKW-YADHBBJMSA-N 2 0 403.636 3.635 20 0 HHADRP C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845008 989095317 /nfs/dbraw/zinc/09/53/17/989095317.db2.gz CYGBOULSMOBEQE-CTNGQTDRSA-N 2 0 422.491 3.899 20 0 HHADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000465018046 989337367 /nfs/dbraw/zinc/33/73/67/989337367.db2.gz ZAECHPBYZIEAFM-RXVVDRJESA-N 2 0 407.002 3.754 20 0 HHADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471217707 989360440 /nfs/dbraw/zinc/36/04/40/989360440.db2.gz BHEXYYCCFGYKHF-SFHVURJKSA-N 2 0 415.528 3.986 20 0 HHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000471374832 989550962 /nfs/dbraw/zinc/55/09/62/989550962.db2.gz SYLKRQBPHVAUMP-QWFCFKBJSA-N 2 0 414.619 3.807 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471381991 989560784 /nfs/dbraw/zinc/56/07/84/989560784.db2.gz DRNSYEQKCLZVKM-HSZRJFAPSA-N 2 0 405.586 3.805 20 0 HHADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000471441913 989625581 /nfs/dbraw/zinc/62/55/81/989625581.db2.gz FHXHEGLYNLIRCO-HXUWFJFHSA-N 2 0 411.615 3.876 20 0 HHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471507141 989705750 /nfs/dbraw/zinc/70/57/50/989705750.db2.gz WYRZAMPAUBCERX-JOCHJYFZSA-N 2 0 406.574 3.604 20 0 HHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471550536 989750852 /nfs/dbraw/zinc/75/08/52/989750852.db2.gz YOTAJFKLUMKPRZ-PLQXJYEYSA-N 2 0 420.601 3.802 20 0 HHADRP COc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+]2CCCCC2)cc1 ZINC000465407336 989754459 /nfs/dbraw/zinc/75/44/59/989754459.db2.gz KFTYIFOJLYXAMM-ZYJGPIPZSA-N 2 0 414.594 3.537 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000465413995 989760295 /nfs/dbraw/zinc/76/02/95/989760295.db2.gz UDEJXJZUUQVDAT-SFTDATJTSA-N 2 0 414.619 3.904 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000465416866 989762766 /nfs/dbraw/zinc/76/27/66/989762766.db2.gz YFVAFOFYKUUETD-OFNKIYASSA-N 2 0 416.610 3.596 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777682 /nfs/dbraw/zinc/77/76/82/989777682.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 2 0 412.603 3.705 20 0 HHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000471580259 989783217 /nfs/dbraw/zinc/78/32/17/989783217.db2.gz HFUFAYNAUTXKIK-FZKQIMNGSA-N 2 0 400.792 3.705 20 0 HHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000471580260 989783418 /nfs/dbraw/zinc/78/34/18/989783418.db2.gz HFUFAYNAUTXKIK-SCLBCKFNSA-N 2 0 400.792 3.705 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)s2)cc1 ZINC000471600302 989803843 /nfs/dbraw/zinc/80/38/43/989803843.db2.gz AVAORSKOODEKJO-SJORKVTESA-N 2 0 402.608 3.804 20 0 HHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000465523985 989878117 /nfs/dbraw/zinc/87/81/17/989878117.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 2 0 420.601 3.598 20 0 HHADRP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000471681855 989885581 /nfs/dbraw/zinc/88/55/81/989885581.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 2 0 420.601 3.645 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000465532716 989893297 /nfs/dbraw/zinc/89/32/97/989893297.db2.gz VQEIAXQCRWBYRQ-TZIWHRDSSA-N 2 0 404.599 3.592 20 0 HHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000465534728 989897039 /nfs/dbraw/zinc/89/70/39/989897039.db2.gz SSMFMSITXTYKTR-SXWKCWPCSA-N 2 0 400.611 3.790 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000465650841 990037364 /nfs/dbraw/zinc/03/73/64/990037364.db2.gz DATHXGFQGIJJML-MOPGFXCFSA-N 2 0 400.567 3.860 20 0 HHADRP C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2ccccc2C1 ZINC000465689193 990074717 /nfs/dbraw/zinc/07/47/17/990074717.db2.gz GRSYZEOBADOTTQ-GMAHTHKFSA-N 2 0 420.601 3.597 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000465724409 990110337 /nfs/dbraw/zinc/11/03/37/990110337.db2.gz RBEYIOPIMXHHAD-MRXNPFEDSA-N 2 0 424.014 3.507 20 0 HHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000465755247 990141309 /nfs/dbraw/zinc/14/13/09/990141309.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 2 0 408.590 3.672 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000465760138 990145774 /nfs/dbraw/zinc/14/57/74/990145774.db2.gz SNSSOKRQWYKMOF-HBFSDRIKSA-N 2 0 406.640 3.941 20 0 HHADRP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000472009282 990177279 /nfs/dbraw/zinc/17/72/79/990177279.db2.gz MUTWESHYINPMMX-URXFXBBRSA-N 2 0 408.590 3.718 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465819660 990202998 /nfs/dbraw/zinc/20/29/98/990202998.db2.gz VYJHOUUMZBUEGQ-UXHICEINSA-N 2 0 404.624 3.524 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000465888363 991012176 /nfs/dbraw/zinc/01/21/76/991012176.db2.gz CXBPDLFRDUZDJR-FGZHOGPDSA-N 2 0 404.574 3.724 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000465895531 991021995 /nfs/dbraw/zinc/02/19/95/991021995.db2.gz BZGVESIGMTZLEJ-XJUOHMSHSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC000465928589 991062316 /nfs/dbraw/zinc/06/23/16/991062316.db2.gz YJDRBRKBNXRYMW-LJQANCHMSA-N 2 0 408.590 3.514 20 0 HHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465932751 991068347 /nfs/dbraw/zinc/06/83/47/991068347.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 2 0 420.601 3.815 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000466070828 991242688 /nfs/dbraw/zinc/24/26/88/991242688.db2.gz AFVHFAJPTNEXAO-RXVVDRJESA-N 2 0 418.607 3.806 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000466070827 991242823 /nfs/dbraw/zinc/24/28/23/991242823.db2.gz AFVHFAJPTNEXAO-NQIIRXRSSA-N 2 0 418.607 3.806 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107343 991284648 /nfs/dbraw/zinc/28/46/48/991284648.db2.gz URUHQIRRRIBFAU-NQIIRXRSSA-N 2 0 404.624 3.791 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1cccs1 ZINC000466107344 991284687 /nfs/dbraw/zinc/28/46/87/991284687.db2.gz URUHQIRRRIBFAU-RXVVDRJESA-N 2 0 404.624 3.791 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466291959 991541927 /nfs/dbraw/zinc/54/19/27/991541927.db2.gz WQTQVYLTGJWRPR-BJKOFHAPSA-N 2 0 412.622 3.805 20 0 HHADRP C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466512277 991798179 /nfs/dbraw/zinc/79/81/79/991798179.db2.gz DRKKXQOVZGGNLB-FPOVZHCZSA-N 2 0 410.562 3.548 20 0 HHADRP C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466525163 991820664 /nfs/dbraw/zinc/82/06/64/991820664.db2.gz GIJQWQRWPMPMAT-QPPBQGQZSA-N 2 0 420.601 3.955 20 0 HHADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000466705991 992019276 /nfs/dbraw/zinc/01/92/76/992019276.db2.gz IQBIDSASENAQEF-FQEVSTJZSA-N 2 0 411.590 3.840 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466797705 992104478 /nfs/dbraw/zinc/10/44/78/992104478.db2.gz XICPTBNSZRPYIN-RDPSFJRHSA-N 2 0 408.590 3.501 20 0 HHADRP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466936003 992246515 /nfs/dbraw/zinc/24/65/15/992246515.db2.gz ZKTXGRQRUVMCHX-VWLOTQADSA-N 2 0 421.585 3.621 20 0 HHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467082308 992388808 /nfs/dbraw/zinc/38/88/08/992388808.db2.gz CSTBQHVEFUTVOK-UHFFFAOYSA-N 2 0 423.605 3.634 20 0 HHADRP C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467089124 992394704 /nfs/dbraw/zinc/39/47/04/992394704.db2.gz CDCCVLITFFGNTR-SQJMNOBHSA-N 2 0 422.617 3.891 20 0 HHADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000467097112 992402563 /nfs/dbraw/zinc/40/25/63/992402563.db2.gz VYKSQXRFHSBDRX-UNMCSNQZSA-N 2 0 414.619 3.735 20 0 HHADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000467378371 992694615 /nfs/dbraw/zinc/69/46/15/992694615.db2.gz VDEJQKFHIKMZQG-RTWAWAEBSA-N 2 0 400.611 3.633 20 0 HHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000472094598 993143762 /nfs/dbraw/zinc/14/37/62/993143762.db2.gz MMMLJBYDAPEIQA-OAQYLSRUSA-N 2 0 400.611 3.936 20 0 HHADRP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000472293785 993308440 /nfs/dbraw/zinc/30/84/40/993308440.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 2 0 420.601 3.815 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000472313973 993325542 /nfs/dbraw/zinc/32/55/42/993325542.db2.gz LEOXRJMTPRVQES-BJKOFHAPSA-N 2 0 412.622 3.662 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486003 993488512 /nfs/dbraw/zinc/48/85/12/993488512.db2.gz ILQOJNDGVPZMOK-VWNXMTODSA-N 2 0 423.605 3.537 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000472486002 993488601 /nfs/dbraw/zinc/48/86/01/993488601.db2.gz ILQOJNDGVPZMOK-UPVQGACJSA-N 2 0 423.605 3.537 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(Br)ccc3F)cn2)CC1 ZINC000480725080 993593070 /nfs/dbraw/zinc/59/30/70/993593070.db2.gz XCVPOFJEYUNRAI-HNNXBMFYSA-N 2 0 421.358 3.976 20 0 HHADRP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000480759851 993624953 /nfs/dbraw/zinc/62/49/53/993624953.db2.gz PSSWREHEYICWLZ-SUMWQHHRSA-N 2 0 412.315 3.579 20 0 HHADRP Fc1ccccc1COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000480775207 993640752 /nfs/dbraw/zinc/64/07/52/993640752.db2.gz ONJNELKVLREFTC-UHFFFAOYSA-N 2 0 413.537 3.734 20 0 HHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480778540 993644934 /nfs/dbraw/zinc/64/49/34/993644934.db2.gz IDTJQJJURRDFHQ-NTKDMRAZSA-N 2 0 420.601 3.946 20 0 HHADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000480779468 993645938 /nfs/dbraw/zinc/64/59/38/993645938.db2.gz LDOXMKHIEXZRKA-CYFREDJKSA-N 2 0 424.589 3.683 20 0 HHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000480781025 993648800 /nfs/dbraw/zinc/64/88/00/993648800.db2.gz PYJAOLCKPIQLPI-BKMJKUGQSA-N 2 0 422.617 3.553 20 0 HHADRP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000480905562 993761295 /nfs/dbraw/zinc/76/12/95/993761295.db2.gz APMXMIOCKFOEHS-OFVILXPXSA-N 2 0 411.590 3.660 20 0 HHADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000481024407 993868168 /nfs/dbraw/zinc/86/81/68/993868168.db2.gz YNAAXNGRXNRNNN-DVECYGJZSA-N 2 0 424.564 3.752 20 0 HHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169754 994001568 /nfs/dbraw/zinc/00/15/68/994001568.db2.gz FQQVUSHWARUHAD-UZKOGDIHSA-N 2 0 402.966 3.888 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000481252911 994077694 /nfs/dbraw/zinc/07/76/94/994077694.db2.gz HRTGEIUMPFPUAP-UNMCSNQZSA-N 2 0 412.553 3.797 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329574 994148909 /nfs/dbraw/zinc/14/89/09/994148909.db2.gz IBPZUPNOUDBTCP-WMZHIEFXSA-N 2 0 409.578 3.641 20 0 HHADRP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000473298459 994153982 /nfs/dbraw/zinc/15/39/82/994153982.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 2 0 409.549 3.676 20 0 HHADRP CC(C)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000481348060 994171002 /nfs/dbraw/zinc/17/10/02/994171002.db2.gz PVWRJLLPNKCHKN-DHIUTWEWSA-N 2 0 408.590 3.836 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000481385681 994216337 /nfs/dbraw/zinc/21/63/37/994216337.db2.gz XGNDVAGOBVORKH-UHFFFAOYSA-N 2 0 401.599 3.558 20 0 HHADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473516643 994370532 /nfs/dbraw/zinc/37/05/32/994370532.db2.gz CYIFGGWNTRGRIK-PELRDEGISA-N 2 0 423.523 3.820 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000481544282 994375951 /nfs/dbraw/zinc/37/59/51/994375951.db2.gz GOANOEQIPWHYAG-SFHVURJKSA-N 2 0 401.576 3.621 20 0 HHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000481545879 994377650 /nfs/dbraw/zinc/37/76/50/994377650.db2.gz PDPLXXBTHXJSDO-GOSISDBHSA-N 2 0 416.587 3.662 20 0 HHADRP C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000481580568 994419727 /nfs/dbraw/zinc/41/97/27/994419727.db2.gz KLHCZFYNDDSMSU-CQSZACIVSA-N 2 0 421.335 3.969 20 0 HHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000481723422 994583805 /nfs/dbraw/zinc/58/38/05/994583805.db2.gz BAFNDZZQZUTGEG-INIZCTEOSA-N 2 0 407.605 3.682 20 0 HHADRP CCN(C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473746592 994650836 /nfs/dbraw/zinc/65/08/36/994650836.db2.gz HECISPNXNWHFNW-FUPPJEDESA-N 2 0 400.611 3.831 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C2CC2)c1 ZINC000482050406 994975493 /nfs/dbraw/zinc/97/54/93/994975493.db2.gz PMWMXXQLPLMMLU-VEXUSMLFSA-N 2 0 411.590 3.744 20 0 HHADRP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482084859 995024533 /nfs/dbraw/zinc/02/45/33/995024533.db2.gz QHSJGSJQCCPQGV-DQEYMECFSA-N 2 0 419.569 3.999 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000482130950 995080530 /nfs/dbraw/zinc/08/05/30/995080530.db2.gz VHZMENOIBFTGNA-QGZVFWFLSA-N 2 0 408.468 3.843 20 0 HHADRP COc1ccc2cc([C@H](C)[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000482259369 995237195 /nfs/dbraw/zinc/23/71/95/995237195.db2.gz HEMUGROIIWEFML-SFHVURJKSA-N 2 0 405.542 3.991 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000482349654 995328399 /nfs/dbraw/zinc/32/83/99/995328399.db2.gz IAHTUYXYRWWKBG-GOSISDBHSA-N 2 0 412.441 3.849 20 0 HHADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436147 995428924 /nfs/dbraw/zinc/42/89/24/995428924.db2.gz IPKNQDIDROLMGE-PZJWPPBQSA-N 2 0 415.603 3.663 20 0 HHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000482445975 995444036 /nfs/dbraw/zinc/44/40/36/995444036.db2.gz KBLKUSRISUSKAN-IBGZPJMESA-N 2 0 420.388 3.963 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000482454720 995455141 /nfs/dbraw/zinc/45/51/41/995455141.db2.gz XEUCGYOKXZYAIB-QGZVFWFLSA-N 2 0 423.483 3.628 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000482455072 995456304 /nfs/dbraw/zinc/45/63/04/995456304.db2.gz FTLIQTXJOGZUIW-CUWPLCDZSA-N 2 0 424.427 3.754 20 0 HHADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1[C@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000474507317 995467126 /nfs/dbraw/zinc/46/71/26/995467126.db2.gz WHUMYOBAHGDRRJ-JXNNMWDUSA-N 2 0 412.622 3.800 20 0 HHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000474517694 995481673 /nfs/dbraw/zinc/48/16/73/995481673.db2.gz LLTXYZDFFIWJFQ-NPHXMPSESA-N 2 0 412.578 3.509 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474525059 995490111 /nfs/dbraw/zinc/49/01/11/995490111.db2.gz WYXFQURHAPZKKE-RMNGQBEXSA-N 2 0 414.638 3.906 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000474525060 995490428 /nfs/dbraw/zinc/49/04/28/995490428.db2.gz WYXFQURHAPZKKE-SFTDATJTSA-N 2 0 414.638 3.906 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482490660 995500067 /nfs/dbraw/zinc/50/00/67/995500067.db2.gz YRWXEIHHKOUQFG-QFBILLFUSA-N 2 0 410.400 3.526 20 0 HHADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000482518454 995528367 /nfs/dbraw/zinc/52/83/67/995528367.db2.gz JCZOJTLTBRECMN-GOSISDBHSA-N 2 0 419.591 3.531 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482550671 995557738 /nfs/dbraw/zinc/55/77/38/995557738.db2.gz GEXSUGOWUWELIU-ZWKOTPCHSA-N 2 0 408.525 3.570 20 0 HHADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000474617511 995568912 /nfs/dbraw/zinc/56/89/12/995568912.db2.gz GJJKETAHJUGNQM-RTBURBONSA-N 2 0 409.603 3.985 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000482565881 995571924 /nfs/dbraw/zinc/57/19/24/995571924.db2.gz OJXFYUWGLOJRHZ-HXUWFJFHSA-N 2 0 404.558 3.739 20 0 HHADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482584416 995586824 /nfs/dbraw/zinc/58/68/24/995586824.db2.gz WGDFLWAVUZXJIK-BJKOFHAPSA-N 2 0 412.622 3.805 20 0 HHADRP COC1CCN(C2(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CCCC2)CC1 ZINC000482628430 995622772 /nfs/dbraw/zinc/62/27/72/995622772.db2.gz IMYMXBIJIFFNAU-FQEVSTJZSA-N 2 0 403.611 3.701 20 0 HHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631654 995625495 /nfs/dbraw/zinc/62/54/95/995625495.db2.gz OEJPZPVRRUNVIU-URXFXBBRSA-N 2 0 407.558 3.560 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnc2ccsc2c1 ZINC000482636317 995631050 /nfs/dbraw/zinc/63/10/50/995631050.db2.gz VTZTWMMASDBBBR-VQIMIIECSA-N 2 0 408.571 3.844 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)c2)C1 ZINC000482636705 995631217 /nfs/dbraw/zinc/63/12/17/995631217.db2.gz WPFFCURTADBJSQ-GMAHTHKFSA-N 2 0 419.569 3.920 20 0 HHADRP Cc1c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000482658434 995651642 /nfs/dbraw/zinc/65/16/42/995651642.db2.gz QLTHSOYTIULIRN-CABCVRRESA-N 2 0 410.393 3.774 20 0 HHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000482662824 995654574 /nfs/dbraw/zinc/65/45/74/995654574.db2.gz YPEOTBGZNBOSTL-IRXDYDNUSA-N 2 0 420.395 3.595 20 0 HHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000482662827 995654658 /nfs/dbraw/zinc/65/46/58/995654658.db2.gz YPEOTBGZNBOSTL-SJORKVTESA-N 2 0 420.395 3.595 20 0 HHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474719829 995657587 /nfs/dbraw/zinc/65/75/87/995657587.db2.gz OGSIFWAQKNLZPX-UHFFFAOYSA-N 2 0 422.333 3.831 20 0 HHADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833684 995738593 /nfs/dbraw/zinc/73/85/93/995738593.db2.gz SKTJVNDNUHVGPO-NRFANRHFSA-N 2 0 424.564 3.818 20 0 HHADRP Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)oc1C ZINC000482884606 995816792 /nfs/dbraw/zinc/81/67/92/995816792.db2.gz CLTOEOULQNXXNL-LJQANCHMSA-N 2 0 414.594 3.795 20 0 HHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000474948125 995818570 /nfs/dbraw/zinc/81/85/70/995818570.db2.gz YWJZJISTFBZJJM-SELNLUPBSA-N 2 0 412.574 3.942 20 0 HHADRP O=C(C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000482898637 995828251 /nfs/dbraw/zinc/82/82/51/995828251.db2.gz XKZRHAMDQDXCMM-UHFFFAOYSA-N 2 0 424.416 3.991 20 0 HHADRP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475010993 995867749 /nfs/dbraw/zinc/86/77/49/995867749.db2.gz ZVBHFUOAEHBXFQ-XMMPIXPASA-N 2 0 406.574 3.698 20 0 HHADRP CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015810 995871927 /nfs/dbraw/zinc/87/19/27/995871927.db2.gz KLLJINOZIUAJMS-LEWJYISDSA-N 2 0 412.603 3.801 20 0 HHADRP CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475035867 995884727 /nfs/dbraw/zinc/88/47/27/995884727.db2.gz ZSQFUSZGGQAQEE-YADHBBJMSA-N 2 0 410.562 3.723 20 0 HHADRP CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475035866 995884864 /nfs/dbraw/zinc/88/48/64/995884864.db2.gz ZSQFUSZGGQAQEE-VXKWHMMOSA-N 2 0 410.562 3.723 20 0 HHADRP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000475114025 995930581 /nfs/dbraw/zinc/93/05/81/995930581.db2.gz VWHHHSVOFCBCDQ-YADHBBJMSA-N 2 0 410.562 3.641 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475137989 995946901 /nfs/dbraw/zinc/94/69/01/995946901.db2.gz LXUGNLGEDSHZDB-RUZDIDTESA-N 2 0 420.601 3.875 20 0 HHADRP CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475137716 995947012 /nfs/dbraw/zinc/94/70/12/995947012.db2.gz KYKWQNVOXXEPIW-VWLOTQADSA-N 2 0 420.601 3.609 20 0 HHADRP CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475180773 995977610 /nfs/dbraw/zinc/97/76/10/995977610.db2.gz ZCHNUCMPMNCXEE-QFIPXVFZSA-N 2 0 412.553 3.693 20 0 HHADRP CCN(C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475184749 995981057 /nfs/dbraw/zinc/98/10/57/995981057.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 2 0 412.622 3.945 20 0 HHADRP Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000475214670 996001655 /nfs/dbraw/zinc/00/16/55/996001655.db2.gz QQELQMIWDSYGQA-HLAWJBBLSA-N 2 0 417.395 3.926 20 0 HHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149802 996004003 /nfs/dbraw/zinc/00/40/03/996004003.db2.gz XQIPRNFMLSRGBF-GOSISDBHSA-N 2 0 405.583 3.595 20 0 HHADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)[NH+]2CCCC2)o1 ZINC000475323678 996070109 /nfs/dbraw/zinc/07/01/09/996070109.db2.gz ZALARQFXWUPQPL-NRFANRHFSA-N 2 0 402.583 3.821 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483495444 996217326 /nfs/dbraw/zinc/21/73/26/996217326.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 2 0 424.585 3.559 20 0 HHADRP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483592892 996272926 /nfs/dbraw/zinc/27/29/26/996272926.db2.gz BDLKPKCEHZNOLK-FCHUYYIVSA-N 2 0 403.636 3.575 20 0 HHADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475737279 996336318 /nfs/dbraw/zinc/33/63/18/996336318.db2.gz LBPKYTAHOAQBKC-AOYPEHQESA-N 2 0 424.585 3.561 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000483714173 996344747 /nfs/dbraw/zinc/34/47/47/996344747.db2.gz UEINGFZIQZNXKU-UHFFFAOYSA-N 2 0 400.542 3.597 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1C ZINC000483715163 996345320 /nfs/dbraw/zinc/34/53/20/996345320.db2.gz WLQJYZRQCPPZBI-JRGCBEDISA-N 2 0 407.002 3.991 20 0 HHADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)Cc1ccc(F)cc1 ZINC000483800086 996395998 /nfs/dbraw/zinc/39/59/98/996395998.db2.gz AZOFQGXDGKRHQG-GHTZIAJQSA-N 2 0 418.582 3.701 20 0 HHADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000475952342 996495917 /nfs/dbraw/zinc/49/59/17/996495917.db2.gz BKQXDPNNHAPJKZ-JOCHJYFZSA-N 2 0 400.611 3.631 20 0 HHADRP O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000484299800 996688539 /nfs/dbraw/zinc/68/85/39/996688539.db2.gz HCYNTCXSCLMFPB-NRFANRHFSA-N 2 0 411.571 3.547 20 0 HHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)C2)CC1 ZINC000476358257 996785485 /nfs/dbraw/zinc/78/54/85/996785485.db2.gz WSJCVFGZLDTJKD-HXUWFJFHSA-N 2 0 404.574 3.541 20 0 HHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000484478179 996798381 /nfs/dbraw/zinc/79/83/81/996798381.db2.gz ZNKSFSSOMNEWFT-LJQANCHMSA-N 2 0 402.583 3.942 20 0 HHADRP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000484478585 996798521 /nfs/dbraw/zinc/79/85/21/996798521.db2.gz CWNAENPKYOGUCY-OAQYLSRUSA-N 2 0 423.601 3.759 20 0 HHADRP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCN3CCC([NH+](C)C)CC3)s2)cc1 ZINC000484484759 996806154 /nfs/dbraw/zinc/80/61/54/996806154.db2.gz OHDHUAYYNVPDLO-INIZCTEOSA-N 2 0 402.608 3.804 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)NCCCC3CCCCC3)CC2)CC1 ZINC000476576813 997076933 /nfs/dbraw/zinc/07/69/33/997076933.db2.gz FSBNTYRLLMLRON-UHFFFAOYSA-N 2 0 420.686 3.591 20 0 HHADRP O=C(CC[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000484792585 997143121 /nfs/dbraw/zinc/14/31/21/997143121.db2.gz DQGDJDUPSAGSLP-UHFFFAOYSA-N 2 0 420.479 3.575 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000476800479 997349134 /nfs/dbraw/zinc/34/91/34/997349134.db2.gz BTIBYTIPGTZFFQ-YLJYHZDGSA-N 2 0 422.017 3.676 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000476981608 997602756 /nfs/dbraw/zinc/60/27/56/997602756.db2.gz JFIUXDYVRFJJBK-FQEVSTJZSA-N 2 0 422.635 3.836 20 0 HHADRP COc1ccc(NC(=O)CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC000476991664 997618098 /nfs/dbraw/zinc/61/80/98/997618098.db2.gz ZBJLRBIHSXKHMR-SFHVURJKSA-N 2 0 403.567 3.619 20 0 HHADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000477338639 998026385 /nfs/dbraw/zinc/02/63/85/998026385.db2.gz MNIDQUNGJSSLMF-URXFXBBRSA-N 2 0 423.605 3.598 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477534402 998253390 /nfs/dbraw/zinc/25/33/90/998253390.db2.gz JSPNJCARWBJDMT-LJQANCHMSA-N 2 0 415.603 3.601 20 0 HHADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111579 998559021 /nfs/dbraw/zinc/55/90/21/998559021.db2.gz RSJFWCVVKHAISS-GHTZIAJQSA-N 2 0 404.624 3.791 20 0 HHADRP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486319706 998710830 /nfs/dbraw/zinc/71/08/30/998710830.db2.gz KJGTZTIPMDUPGR-RZUBCFFCSA-N 2 0 400.611 3.707 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000486338756 998718898 /nfs/dbraw/zinc/71/88/98/998718898.db2.gz ANHRPVDGPRPBCN-FGZHOGPDSA-N 2 0 414.594 3.535 20 0 HHADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000486345988 998722185 /nfs/dbraw/zinc/72/21/85/998722185.db2.gz NVVYLASQGGVKBB-OQLXKQOESA-N 2 0 400.611 3.564 20 0 HHADRP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000487079363 999057206 /nfs/dbraw/zinc/05/72/06/999057206.db2.gz UDDNAMXTANEMGE-BHDDXSALSA-N 2 0 416.610 3.639 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000487079364 999057230 /nfs/dbraw/zinc/05/72/30/999057230.db2.gz UDDNAMXTANEMGE-BHIFYINESA-N 2 0 416.610 3.639 20 0 HHADRP C[NH+](C)CCCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000487384824 999155482 /nfs/dbraw/zinc/15/54/82/999155482.db2.gz JHQIRVBNJIQASA-UHFFFAOYSA-N 2 0 409.574 3.546 20 0 HHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[NH+](C)C ZINC000478896502 999199394 /nfs/dbraw/zinc/19/93/94/999199394.db2.gz FITUQDKBXMKJDB-PXDATVDWSA-N 2 0 422.617 3.993 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487520377 999206492 /nfs/dbraw/zinc/20/64/92/999206492.db2.gz PJSOZOGSPLTCBL-SQJMNOBHSA-N 2 0 420.601 3.861 20 0 HHADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000487722174 999265812 /nfs/dbraw/zinc/26/58/12/999265812.db2.gz FGZMBCCRTWSVSE-QFIPXVFZSA-N 2 0 414.981 3.803 20 0 HHADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479056083 999271213 /nfs/dbraw/zinc/27/12/13/999271213.db2.gz GMTSMRSQDPVOOT-HNNXBMFYSA-N 2 0 409.290 3.965 20 0 HHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073727 999280810 /nfs/dbraw/zinc/28/08/10/999280810.db2.gz YEJFYKRXEYOGRM-YWZLYKJASA-N 2 0 412.391 3.903 20 0 HHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479252421 999348100 /nfs/dbraw/zinc/34/81/00/999348100.db2.gz BUSDUCIECRGGQX-OAQYLSRUSA-N 2 0 402.380 3.766 20 0 HHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479289170 999367295 /nfs/dbraw/zinc/36/72/95/999367295.db2.gz VZJPNRIEHMDEEH-LAUBAEHRSA-N 2 0 402.380 3.764 20 0 HHADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000479311292 999378637 /nfs/dbraw/zinc/37/86/37/999378637.db2.gz KRWNCZXCJAJIQP-DUXKGJEZSA-N 2 0 404.986 3.745 20 0 HHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368550 999407135 /nfs/dbraw/zinc/40/71/35/999407135.db2.gz ZIJWFUNUWLNQDI-STQMWFEESA-N 2 0 410.411 3.802 20 0 HHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000488190288 999408776 /nfs/dbraw/zinc/40/87/76/999408776.db2.gz RQGUEJMDVPJCCP-SFTDATJTSA-N 2 0 412.622 3.934 20 0 HHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437286 999416718 /nfs/dbraw/zinc/41/67/18/999416718.db2.gz LRSXEWIUQVLWJF-VWNXMTODSA-N 2 0 402.542 3.606 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000488273074 999419243 /nfs/dbraw/zinc/41/92/43/999419243.db2.gz ODMWPPFKXPFMEI-DHIUTWEWSA-N 2 0 414.594 3.537 20 0 HHADRP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000488298861 999429035 /nfs/dbraw/zinc/42/90/35/999429035.db2.gz XFAVNINZGYCZLI-HSZRJFAPSA-N 2 0 401.595 3.803 20 0 HHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000479466190 999429544 /nfs/dbraw/zinc/42/95/44/999429544.db2.gz YRKSQAXVJRKYLH-FQEVSTJZSA-N 2 0 400.611 3.934 20 0 HHADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000488527805 999518641 /nfs/dbraw/zinc/51/86/41/999518641.db2.gz DUTHNFSOQCZBQT-YKSBVNFPSA-N 2 0 408.590 3.848 20 0 HHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000488529161 999519005 /nfs/dbraw/zinc/51/90/05/999519005.db2.gz HDDONTKHQQSQIA-WWNPGLIZSA-N 2 0 400.611 3.564 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000488576464 999533501 /nfs/dbraw/zinc/53/35/01/999533501.db2.gz CKEAYLUBOPBCQJ-BULFRSBZSA-N 2 0 422.564 3.862 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229497 999726709 /nfs/dbraw/zinc/72/67/09/999726709.db2.gz YFGKMIRTNGDBOP-NSHGMRRFSA-N 2 0 418.607 3.982 20 0 HHADRP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000489338426 999748368 /nfs/dbraw/zinc/74/83/68/999748368.db2.gz WGHUAQXJGBYHMV-NRFANRHFSA-N 2 0 420.601 3.739 20 0 HHADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCC[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000489442882 999768405 /nfs/dbraw/zinc/76/84/05/999768405.db2.gz HGBNCQVKRPRSGZ-AREMUKBSSA-N 2 0 420.601 3.816 20 0 HHADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCCO2 ZINC000489493926 999778016 /nfs/dbraw/zinc/77/80/16/999778016.db2.gz HETXAOJYUBSYGN-NRFANRHFSA-N 2 0 415.965 3.943 20 0 HHADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+](C)C)c1 ZINC000489520252 999783092 /nfs/dbraw/zinc/78/30/92/999783092.db2.gz CLPPYHMNTAKVCU-IGKWTDBASA-N 2 0 424.589 3.508 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000489528180 999784828 /nfs/dbraw/zinc/78/48/28/999784828.db2.gz HGMBSHLVSRGCFK-GMAHTHKFSA-N 2 0 400.611 3.852 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCCC5)ccn2)CC1 ZINC000489585729 999797773 /nfs/dbraw/zinc/79/77/73/999797773.db2.gz MVLXCRFKDLAXKE-QHCPKHFHSA-N 2 0 406.574 3.716 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1S(C)(=O)=O ZINC000480434813 999798243 /nfs/dbraw/zinc/79/82/43/999798243.db2.gz IOHMWDAGBBZYAO-SFHVURJKSA-N 2 0 416.587 3.935 20 0 HHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480604065 999838669 /nfs/dbraw/zinc/83/86/69/999838669.db2.gz FLXNIJGPSPMAKF-LPHOPBHVSA-N 2 0 402.583 3.942 20 0 HHADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000489808158 999842071 /nfs/dbraw/zinc/84/20/71/999842071.db2.gz BBQNSBJANRTTGY-XXBNENTESA-N 2 0 412.578 3.572 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000489822575 999844061 /nfs/dbraw/zinc/84/40/61/999844061.db2.gz BJSDFTISAIHZJH-BWKNWUBXSA-N 2 0 420.601 3.992 20 0 HHADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000480635529 999847106 /nfs/dbraw/zinc/84/71/06/999847106.db2.gz ATHFDSCCNDPMAU-RTBURBONSA-N 2 0 415.603 3.820 20 0 HHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000489844559 999848212 /nfs/dbraw/zinc/84/82/12/999848212.db2.gz YBABQMZSMOTRCF-URXFXBBRSA-N 2 0 408.590 3.670 20 0 HHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000489845948 999848417 /nfs/dbraw/zinc/84/84/17/999848417.db2.gz SRNITGDUDUODJL-QHCPKHFHSA-N 2 0 422.617 3.891 20 0 HHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000489874085 999852901 /nfs/dbraw/zinc/85/29/01/999852901.db2.gz OQRKHIZVICCIFV-HSZRJFAPSA-N 2 0 406.574 3.567 20 0 HHADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000480691368 999860382 /nfs/dbraw/zinc/86/03/82/999860382.db2.gz CDSSCXHTBURBBA-RBBKRZOGSA-N 2 0 412.553 3.797 20 0 HHADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000480691364 999860492 /nfs/dbraw/zinc/86/04/92/999860492.db2.gz CDSSCXHTBURBBA-IFMALSPDSA-N 2 0 412.553 3.797 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000490125458 999896717 /nfs/dbraw/zinc/89/67/17/999896717.db2.gz PNGDWALFDHGHLP-RUZDIDTESA-N 2 0 409.574 3.990 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000490190711 999907827 /nfs/dbraw/zinc/90/78/27/999907827.db2.gz LJVRMMFUMOAZNG-QFIPXVFZSA-N 2 0 404.599 3.640 20 0 HHADRP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490825830 1000012528 /nfs/dbraw/zinc/01/25/28/1000012528.db2.gz LCPYLWVTKCOFLL-CTNGQTDRSA-N 2 0 410.562 3.659 20 0 HHADRP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000490954899 1000027230 /nfs/dbraw/zinc/02/72/30/1000027230.db2.gz ODRRMVVCACAERE-RBUKOAKNSA-N 2 0 404.624 3.520 20 0 HHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491024358 1000035427 /nfs/dbraw/zinc/03/54/27/1000035427.db2.gz XDBQTPSKSWXUNU-OTPAQWSUSA-N 2 0 420.601 3.958 20 0 HHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000491035638 1000037511 /nfs/dbraw/zinc/03/75/11/1000037511.db2.gz WILFXCDVPFNSJR-IERDGZPVSA-N 2 0 420.370 3.903 20 0 HHADRP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491073954 1000042542 /nfs/dbraw/zinc/04/25/42/1000042542.db2.gz GOBVFJHDOGFOQC-LJQANCHMSA-N 2 0 408.546 3.567 20 0 HHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000491147250 1000050122 /nfs/dbraw/zinc/05/01/22/1000050122.db2.gz WUQHZPVWCKZWGC-HIGZBPRKSA-N 2 0 412.622 3.660 20 0 HHADRP CCC[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000491376922 1000069805 /nfs/dbraw/zinc/06/98/05/1000069805.db2.gz SKNGBEWUPWXMND-QFIPXVFZSA-N 2 0 424.593 3.668 20 0 HHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491382144 1000070144 /nfs/dbraw/zinc/07/01/44/1000070144.db2.gz ATBCIZZXBXGEEA-IBGZPJMESA-N 2 0 424.593 3.846 20 0 HHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491389601 1000070807 /nfs/dbraw/zinc/07/08/07/1000070807.db2.gz OWMHXBPKJTYTEZ-NRFANRHFSA-N 2 0 424.593 3.526 20 0 HHADRP C[C@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000492782497 1000143751 /nfs/dbraw/zinc/14/37/51/1000143751.db2.gz HIMSNXDTODOBJS-UWJYYQICSA-N 2 0 419.038 3.938 20 0 HHADRP Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000493845517 1000198024 /nfs/dbraw/zinc/19/80/24/1000198024.db2.gz OGEGWKRTXSHSKJ-LJQANCHMSA-N 2 0 415.379 3.681 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Br)cs1 ZINC000493904995 1000207111 /nfs/dbraw/zinc/20/71/11/1000207111.db2.gz GASVINXQLLADGK-CYBMUJFWSA-N 2 0 410.381 3.653 20 0 HHADRP COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521326 1000248395 /nfs/dbraw/zinc/24/83/95/1000248395.db2.gz KPTLFXOSCOPRTF-NZQKXSOJSA-N 2 0 421.585 3.654 20 0 HHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000494006880 1000264656 /nfs/dbraw/zinc/26/46/56/1000264656.db2.gz MGQXIOVXQMBDSK-UHFFFAOYSA-N 2 0 404.558 3.689 20 0 HHADRP Cc1nc2ccc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2s1 ZINC000494028837 1000276006 /nfs/dbraw/zinc/27/60/06/1000276006.db2.gz TYNYYUZVFVRIIA-FQEVSTJZSA-N 2 0 408.571 3.592 20 0 HHADRP C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070208 1000294155 /nfs/dbraw/zinc/29/41/55/1000294155.db2.gz VTXLFIJNODTNLD-CVDCTZTESA-N 2 0 409.599 3.628 20 0 HHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504888159 1000429022 /nfs/dbraw/zinc/42/90/22/1000429022.db2.gz HHAQSUGPQYOTJF-XMMPIXPASA-N 2 0 406.574 3.746 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000504915567 1000445950 /nfs/dbraw/zinc/44/59/50/1000445950.db2.gz URKYKKBCLUOBSL-OAQYLSRUSA-N 2 0 410.562 3.550 20 0 HHADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)c(Cl)c3)cn2)CC1 ZINC000494357680 1000452380 /nfs/dbraw/zinc/45/23/80/1000452380.db2.gz QMKCNQFFCNEXDS-UHFFFAOYSA-N 2 0 423.786 3.929 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000494442664 1000494305 /nfs/dbraw/zinc/49/43/05/1000494305.db2.gz LJWOLILJRBYRHC-MBSDFSHPSA-N 2 0 416.585 3.552 20 0 HHADRP CC1CC[NH+](CCCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000494585763 1000565479 /nfs/dbraw/zinc/56/54/79/1000565479.db2.gz LDJMLYOJYABVIA-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494900847 1000720419 /nfs/dbraw/zinc/72/04/19/1000720419.db2.gz BWXHIFLSWMTQDK-HSALFYBXSA-N 2 0 409.574 3.848 20 0 HHADRP C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505386045 1000741052 /nfs/dbraw/zinc/74/10/52/1000741052.db2.gz GAFKLCHWINUQMJ-NTKDMRAZSA-N 2 0 424.589 3.650 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495041138 1000794677 /nfs/dbraw/zinc/79/46/77/1000794677.db2.gz GZVRXGOGITYDQB-SIKLNZKXSA-N 2 0 419.585 3.510 20 0 HHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000495085214 1000822649 /nfs/dbraw/zinc/82/26/49/1000822649.db2.gz KVDDMPVQXLJRGR-HXUWFJFHSA-N 2 0 423.601 3.750 20 0 HHADRP COc1cc([C@H](C)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441032 1001013437 /nfs/dbraw/zinc/01/34/37/1001013437.db2.gz ZSQKYHWRLRKPTQ-WFXMLNOXSA-N 2 0 416.587 3.660 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000505825033 1001045909 /nfs/dbraw/zinc/04/59/09/1001045909.db2.gz OAYPLVMAUOKMPE-OAQYLSRUSA-N 2 0 411.546 3.637 20 0 HHADRP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506047021 1001189577 /nfs/dbraw/zinc/18/95/77/1001189577.db2.gz GFSUBBNXRYZAFS-UHFFFAOYSA-N 2 0 401.595 3.847 20 0 HHADRP COc1cccc(CNC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497276395 1001285657 /nfs/dbraw/zinc/28/56/57/1001285657.db2.gz OASAMNVEBGYASM-FQEVSTJZSA-N 2 0 409.574 3.866 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(=O)NCc1ccccc1 ZINC000497274585 1001286008 /nfs/dbraw/zinc/28/60/08/1001286008.db2.gz FJFGJLNLKWVLQB-FQEVSTJZSA-N 2 0 422.573 3.567 20 0 HHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446152 1001369914 /nfs/dbraw/zinc/36/99/14/1001369914.db2.gz SCQKNKJMBXERQB-LAUBAEHRSA-N 2 0 400.542 3.857 20 0 HHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497565955 1001438234 /nfs/dbraw/zinc/43/82/34/1001438234.db2.gz GZHIQXSIYRLRAN-HYBUGGRVSA-N 2 0 412.622 3.851 20 0 HHADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000497566402 1001438760 /nfs/dbraw/zinc/43/87/60/1001438760.db2.gz RSYSWMSPRIAVQR-RDPSFJRHSA-N 2 0 412.622 3.993 20 0 HHADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594714 1001451610 /nfs/dbraw/zinc/45/16/10/1001451610.db2.gz CNBMSAJGYYORPF-YLJYHZDGSA-N 2 0 424.511 3.578 20 0 HHADRP c1n[nH]cc1C1CC[NH+](Cc2ccc(C[NH+]3CCC(c4cn[nH]c4)CC3)cc2)CC1 ZINC000506640300 1001479926 /nfs/dbraw/zinc/47/99/26/1001479926.db2.gz XGMIGFGZUZTGGH-UHFFFAOYSA-N 2 0 404.562 3.892 20 0 HHADRP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)Cc1ccccc1 ZINC000506793696 1001533255 /nfs/dbraw/zinc/53/32/55/1001533255.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 2 0 400.611 3.803 20 0 HHADRP Brc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000506862928 1001570629 /nfs/dbraw/zinc/57/06/29/1001570629.db2.gz UOSZDBVMWYQBJZ-UHFFFAOYSA-N 2 0 403.368 3.943 20 0 HHADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000498143894 1001661738 /nfs/dbraw/zinc/66/17/38/1001661738.db2.gz FZBJJHGUYGDRLT-AUSIDOKSSA-N 2 0 410.562 3.680 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000498155332 1001666956 /nfs/dbraw/zinc/66/69/56/1001666956.db2.gz INTWGSHFZYZSSE-JDBUVZGPSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000498158218 1001667584 /nfs/dbraw/zinc/66/75/84/1001667584.db2.gz YEIVMKJIDIWWKC-QEFHDYNCSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000498158219 1001667684 /nfs/dbraw/zinc/66/76/84/1001667684.db2.gz YEIVMKJIDIWWKC-WNXIRNOKSA-N 2 0 412.622 3.790 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000506948624 1001722685 /nfs/dbraw/zinc/72/26/85/1001722685.db2.gz HAINXUGGQMDBSZ-DXIQSLLYSA-N 2 0 404.574 3.724 20 0 HHADRP COc1cccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[NH+](C)C)c1 ZINC000506953767 1001726554 /nfs/dbraw/zinc/72/65/54/1001726554.db2.gz QEJJKUYJBQYHSO-VIZSFHNOSA-N 2 0 416.610 3.594 20 0 HHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000498515897 1001939175 /nfs/dbraw/zinc/93/91/75/1001939175.db2.gz VEYLXEJOHYEGJS-UHFFFAOYSA-N 2 0 414.638 3.801 20 0 HHADRP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000498526207 1001946990 /nfs/dbraw/zinc/94/69/90/1001946990.db2.gz VBFPVKNJXLLVMT-JOCHJYFZSA-N 2 0 423.523 3.775 20 0 HHADRP CC(C)(C)c1ccc2cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000498530373 1001950858 /nfs/dbraw/zinc/95/08/58/1001950858.db2.gz UQANRWBQSYQPNF-UHFFFAOYSA-N 2 0 419.573 3.803 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000498543669 1001961767 /nfs/dbraw/zinc/96/17/67/1001961767.db2.gz LNAVQLXKQWDSII-UHFFFAOYSA-N 2 0 416.525 3.816 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498638755 1002040327 /nfs/dbraw/zinc/04/03/27/1002040327.db2.gz OBTFEJIVWSOSFD-OAQYLSRUSA-N 2 0 411.512 3.631 20 0 HHADRP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498691477 1002078226 /nfs/dbraw/zinc/07/82/26/1002078226.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 2 0 420.601 3.813 20 0 HHADRP Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000498722612 1002105001 /nfs/dbraw/zinc/10/50/01/1002105001.db2.gz YNULCMCLIVRVKS-OAQYLSRUSA-N 2 0 409.578 3.613 20 0 HHADRP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000507533040 1002141089 /nfs/dbraw/zinc/14/10/89/1002141089.db2.gz SSZGWOJWGVLPQG-QLBJFCOMSA-N 2 0 403.570 3.791 20 0 HHADRP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000507533037 1002141128 /nfs/dbraw/zinc/14/11/28/1002141128.db2.gz SSZGWOJWGVLPQG-PZUNEJSGSA-N 2 0 403.570 3.791 20 0 HHADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595869 1002202727 /nfs/dbraw/zinc/20/27/27/1002202727.db2.gz AJUYTVYRCKWTGE-BAGYTPMASA-N 2 0 421.589 3.771 20 0 HHADRP c1ccc(OCc2ccncc2)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507725323 1002311240 /nfs/dbraw/zinc/31/12/40/1002311240.db2.gz PTMMPAPUBMRNSL-UHFFFAOYSA-N 2 0 409.574 3.985 20 0 HHADRP COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507787731 1002344719 /nfs/dbraw/zinc/34/47/19/1002344719.db2.gz IAEKIHRIZBPPDC-UHFFFAOYSA-N 2 0 413.587 3.707 20 0 HHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141364 1002525204 /nfs/dbraw/zinc/52/52/04/1002525204.db2.gz LJQDFLGUZVERJM-PQEXVNNFSA-N 2 0 418.629 3.984 20 0 HHADRP CCc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148871 1002532195 /nfs/dbraw/zinc/53/21/95/1002532195.db2.gz UIGFGNGJEOYEPU-XQUALCHDSA-N 2 0 405.590 3.793 20 0 HHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000499152818 1002536776 /nfs/dbraw/zinc/53/67/76/1002536776.db2.gz QDVSGBRBVQTKLN-SFHVURJKSA-N 2 0 418.601 3.655 20 0 HHADRP Fc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153065 1002537015 /nfs/dbraw/zinc/53/70/15/1002537015.db2.gz QQFWESJJDOQJAU-QYOOZWMWSA-N 2 0 423.576 3.984 20 0 HHADRP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2)C1 ZINC000499189161 1002578696 /nfs/dbraw/zinc/57/86/96/1002578696.db2.gz IXBGGYMSCGMVAN-YCSHWKNNSA-N 2 0 405.590 3.829 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000508251719 1002773210 /nfs/dbraw/zinc/77/32/10/1002773210.db2.gz OGFFWBVTEMGMDK-LPHOPBHVSA-N 2 0 410.965 3.503 20 0 HHADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000508251720 1002773447 /nfs/dbraw/zinc/77/34/47/1002773447.db2.gz OGFFWBVTEMGMDK-QFBILLFUSA-N 2 0 410.965 3.503 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1Cl ZINC000499509286 1002898907 /nfs/dbraw/zinc/89/89/07/1002898907.db2.gz QCVCTKNVDFLCMM-OAHLLOKOSA-N 2 0 416.791 3.591 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662559 1003021512 /nfs/dbraw/zinc/02/15/12/1003021512.db2.gz HOOIPNQLGHPVAH-QPPBQGQZSA-N 2 0 404.602 3.724 20 0 HHADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693534 1003130709 /nfs/dbraw/zinc/13/07/09/1003130709.db2.gz CYAQCZZDIGLNNW-GIFXNVAJSA-N 2 0 406.618 3.697 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508716823 1003156636 /nfs/dbraw/zinc/15/66/36/1003156636.db2.gz LFJRDIGJZYALLF-ZWSUVBHBSA-N 2 0 411.565 3.699 20 0 HHADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000508721437 1003161517 /nfs/dbraw/zinc/16/15/17/1003161517.db2.gz URHFTYZCBNTAAS-BVSLBCMMSA-N 2 0 409.574 3.783 20 0 HHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1)[NH+](C)C ZINC000508903862 1003340996 /nfs/dbraw/zinc/34/09/96/1003340996.db2.gz YHYVZZHZTUXBJV-RXVVDRJESA-N 2 0 402.608 3.821 20 0 HHADRP C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508906765 1003344718 /nfs/dbraw/zinc/34/47/18/1003344718.db2.gz OHENNLFGMQDVDK-QXUYBEEESA-N 2 0 400.611 3.974 20 0 HHADRP Cc1c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sc2cccc(F)c12 ZINC000500019940 1003346499 /nfs/dbraw/zinc/34/64/99/1003346499.db2.gz ZMASTNFGBXGYDQ-UHFFFAOYSA-N 2 0 412.534 3.686 20 0 HHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109754 1003472299 /nfs/dbraw/zinc/47/22/99/1003472299.db2.gz IWIFLAGTAMZMHY-JXALWOEJSA-N 2 0 421.589 3.569 20 0 HHADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000500110244 1003472321 /nfs/dbraw/zinc/47/23/21/1003472321.db2.gz KBMLTHCXWAFDBY-HXUWFJFHSA-N 2 0 401.599 3.515 20 0 HHADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCOc1ccc(Br)cc1 ZINC000500120904 1003482438 /nfs/dbraw/zinc/48/24/38/1003482438.db2.gz YQQKFFHKQFFEAG-UHFFFAOYSA-N 2 0 412.416 3.566 20 0 HHADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500131826 1003492928 /nfs/dbraw/zinc/49/29/28/1003492928.db2.gz NMGQWZQTCAOZJR-YDHSSHFGSA-N 2 0 409.578 3.598 20 0 HHADRP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000509039297 1003509102 /nfs/dbraw/zinc/50/91/02/1003509102.db2.gz PMFJMJFLIUTAAG-HMXCVIKNSA-N 2 0 407.002 3.849 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500436950 1003716470 /nfs/dbraw/zinc/71/64/70/1003716470.db2.gz AMGHZWGXHDIABM-HSZRJFAPSA-N 2 0 406.574 3.669 20 0 HHADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500624484 1003840168 /nfs/dbraw/zinc/84/01/68/1003840168.db2.gz LZEZABBXEWOQLL-FYYLOGMGSA-N 2 0 400.611 3.805 20 0 HHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511984325 1003935867 /nfs/dbraw/zinc/93/58/67/1003935867.db2.gz XHQWPFGENSXVFM-UHFFFAOYSA-N 2 0 401.620 3.620 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000500754888 1003938560 /nfs/dbraw/zinc/93/85/60/1003938560.db2.gz POPZFIRPQVVAQK-NRFANRHFSA-N 2 0 413.566 3.616 20 0 HHADRP Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000512009227 1003950811 /nfs/dbraw/zinc/95/08/11/1003950811.db2.gz SKIJWRIOHUVSIA-KBPBESRZSA-N 2 0 404.418 3.562 20 0 HHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579141 1003957680 /nfs/dbraw/zinc/95/76/80/1003957680.db2.gz TZZQNTRZQNGCFY-HBMCJLEFSA-N 2 0 404.599 3.862 20 0 HHADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000500822166 1003981830 /nfs/dbraw/zinc/98/18/30/1003981830.db2.gz NLMBVQIQAXMBKR-UHFFFAOYSA-N 2 0 421.589 3.735 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000512103749 1004025600 /nfs/dbraw/zinc/02/56/00/1004025600.db2.gz GLRUUUHHPVTCLG-UHFFFAOYSA-N 2 0 401.554 3.900 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171293 1004074999 /nfs/dbraw/zinc/07/49/99/1004074999.db2.gz GPSUOHDFRWCXSN-PKTZIBPZSA-N 2 0 408.590 3.889 20 0 HHADRP CC(C)(CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C[NH+]1CCCC1 ZINC000512172872 1004075883 /nfs/dbraw/zinc/07/58/83/1004075883.db2.gz PSQUSCMHXGERBE-NRFANRHFSA-N 2 0 400.611 3.708 20 0 HHADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000512175195 1004077177 /nfs/dbraw/zinc/07/71/77/1004077177.db2.gz KOBAGEUVOZUAIG-YADHBBJMSA-N 2 0 400.611 3.660 20 0 HHADRP CSc1cc2c(cc1C[NH+]1CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC1)OCCO2 ZINC000512182487 1004084523 /nfs/dbraw/zinc/08/45/23/1004084523.db2.gz RYOLGMMPHBQYTE-IAGOWNOFSA-N 2 0 406.592 3.501 20 0 HHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)C[C@H](C)O1 ZINC000512188273 1004089079 /nfs/dbraw/zinc/08/90/79/1004089079.db2.gz XSGLKHZPBVJAGY-IYBDPMFKSA-N 2 0 404.505 3.676 20 0 HHADRP Cn1ccnc1COc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501018439 1004120560 /nfs/dbraw/zinc/12/05/60/1004120560.db2.gz FAQKVXGPLKPYGJ-UHFFFAOYSA-N 2 0 405.546 3.743 20 0 HHADRP COc1ccc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501023616 1004126943 /nfs/dbraw/zinc/12/69/43/1004126943.db2.gz UARZEHBHSKEXNW-UHFFFAOYSA-N 2 0 402.926 3.531 20 0 HHADRP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027884 1004131537 /nfs/dbraw/zinc/13/15/37/1004131537.db2.gz WXPHXATZRGSWDZ-QHCPKHFHSA-N 2 0 424.589 3.896 20 0 HHADRP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043004 1004143770 /nfs/dbraw/zinc/14/37/70/1004143770.db2.gz DAGSUFXVXCCUDB-UHFFFAOYSA-N 2 0 418.944 3.681 20 0 HHADRP Cn1nccc1-c1ccccc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000509848438 1004145942 /nfs/dbraw/zinc/14/59/42/1004145942.db2.gz IQBCBNAQUYXZMO-RUZDIDTESA-N 2 0 403.574 3.556 20 0 HHADRP C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066979 1004169353 /nfs/dbraw/zinc/16/93/53/1004169353.db2.gz HFPPNFLHLIEMDY-UHFFFAOYSA-N 2 0 424.593 3.645 20 0 HHADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181057 /nfs/dbraw/zinc/18/10/57/1004181057.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 2 0 417.553 3.661 20 0 HHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324793 1004217902 /nfs/dbraw/zinc/21/79/02/1004217902.db2.gz SKTQBFKOHQWZHH-KSZLIROESA-N 2 0 403.567 3.664 20 0 HHADRP C[NH+](C)CCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000509939239 1004220024 /nfs/dbraw/zinc/22/00/24/1004220024.db2.gz CFJLRMRHBYXUCF-JOCHJYFZSA-N 2 0 423.605 3.639 20 0 HHADRP Cn1nccc1-c1ccccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000509993214 1004252331 /nfs/dbraw/zinc/25/23/31/1004252331.db2.gz SFLHWTBWDFAXKX-UHFFFAOYSA-N 2 0 417.601 3.775 20 0 HHADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000512391690 1004265141 /nfs/dbraw/zinc/26/51/41/1004265141.db2.gz GVISCIWCCQCJMG-MZYLBHOOSA-N 2 0 400.611 3.660 20 0 HHADRP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424417 1004290268 /nfs/dbraw/zinc/29/02/68/1004290268.db2.gz QEZCTSWPITYHFM-QDSKXPNFSA-N 2 0 412.622 3.660 20 0 HHADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[NH+]1Cc1ccccc1 ZINC000512424416 1004290429 /nfs/dbraw/zinc/29/04/29/1004290429.db2.gz QEZCTSWPITYHFM-HUVFLSCGSA-N 2 0 412.622 3.660 20 0 HHADRP CC[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000501375357 1004375516 /nfs/dbraw/zinc/37/55/16/1004375516.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 2 0 400.611 3.635 20 0 HHADRP C[N@H+](CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581541 1004399286 /nfs/dbraw/zinc/39/92/86/1004399286.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 2 0 414.331 3.617 20 0 HHADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618277 1004431196 /nfs/dbraw/zinc/43/11/96/1004431196.db2.gz IACZVNHJWFHTPF-PDSFRDGWSA-N 2 0 416.512 3.595 20 0 HHADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661849 1004472765 /nfs/dbraw/zinc/47/27/65/1004472765.db2.gz USGQVUBHTVRHEZ-XPWALMASSA-N 2 0 419.569 3.692 20 0 HHADRP O=C(NCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664570 1004475589 /nfs/dbraw/zinc/47/55/89/1004475589.db2.gz AGGAYOSRUVRURH-CNNODRBYSA-N 2 0 413.512 3.585 20 0 HHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C)N1CC[NH+](C)CC1 ZINC000512666634 1004477041 /nfs/dbraw/zinc/47/70/41/1004477041.db2.gz LTLFXXGAAWATHX-RKVUVZGQSA-N 2 0 411.634 3.842 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510325183 1004482014 /nfs/dbraw/zinc/48/20/14/1004482014.db2.gz GAIBKAKHJRWMHC-NHCUHLMSSA-N 2 0 412.622 3.934 20 0 HHADRP C[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000512687963 1004494967 /nfs/dbraw/zinc/49/49/67/1004494967.db2.gz AAEQLKXAPKLTEM-TZIWHRDSSA-N 2 0 400.611 3.849 20 0 HHADRP C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710942 1004509732 /nfs/dbraw/zinc/50/97/32/1004509732.db2.gz CLEZMDAWXODRKZ-IFMALSPDSA-N 2 0 412.622 3.945 20 0 HHADRP FC(F)OC[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512821667 1004580846 /nfs/dbraw/zinc/58/08/46/1004580846.db2.gz CWFMIPVCUKVORZ-HZPDHXFCSA-N 2 0 404.448 3.809 20 0 HHADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000501680419 1004595368 /nfs/dbraw/zinc/59/53/68/1004595368.db2.gz GBVUWZOTNLFJIQ-UHFFFAOYSA-N 2 0 420.601 3.743 20 0 HHADRP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OCC[NH+](C)C)c1 ZINC000512836681 1004595494 /nfs/dbraw/zinc/59/54/94/1004595494.db2.gz AWDGEPZWPXYFMY-RTBURBONSA-N 2 0 402.583 3.710 20 0 HHADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512851985 1004614877 /nfs/dbraw/zinc/61/48/77/1004614877.db2.gz LRYUIVIJSLGCNA-OALUTQOASA-N 2 0 424.511 3.596 20 0 HHADRP CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000512919526 1004692153 /nfs/dbraw/zinc/69/21/53/1004692153.db2.gz ZXISDTNPKOICBA-UNMCSNQZSA-N 2 0 404.599 3.592 20 0 HHADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510561332 1004704783 /nfs/dbraw/zinc/70/47/83/1004704783.db2.gz NCPFMTOZFZDJKV-UYAOXDASSA-N 2 0 416.585 3.742 20 0 HHADRP Cc1ccc(C(C)C)c(OCCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501800968 1004743212 /nfs/dbraw/zinc/74/32/12/1004743212.db2.gz DBWRODYETYELKG-UHFFFAOYSA-N 2 0 424.589 3.611 20 0 HHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510680879 1004796508 /nfs/dbraw/zinc/79/65/08/1004796508.db2.gz JLBPIHZPDCOABK-LJQANCHMSA-N 2 0 422.411 3.653 20 0 HHADRP CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000513222000 1004867747 /nfs/dbraw/zinc/86/77/47/1004867747.db2.gz GCBUQRXBWYBOCI-UHFFFAOYSA-N 2 0 410.400 3.650 20 0 HHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1Cc1ccccc1 ZINC000513326812 1004913437 /nfs/dbraw/zinc/91/34/37/1004913437.db2.gz XHTMEJGLHUXJHV-PXDATVDWSA-N 2 0 407.602 3.786 20 0 HHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000513334673 1004916454 /nfs/dbraw/zinc/91/64/54/1004916454.db2.gz ISUAPWZNXJMMHG-PKTZIBPZSA-N 2 0 406.014 3.662 20 0 HHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000513356785 1004924703 /nfs/dbraw/zinc/92/47/03/1004924703.db2.gz IHLQCMPYQVUPHN-AUSIDOKSSA-N 2 0 402.627 3.860 20 0 HHADRP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000510976721 1004962575 /nfs/dbraw/zinc/96/25/75/1004962575.db2.gz VIQOIXFWFZKLRE-FPOVZHCZSA-N 2 0 401.595 3.790 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC000513448295 1004970895 /nfs/dbraw/zinc/97/08/95/1004970895.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 2 0 411.512 3.822 20 0 HHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000502285667 1004993820 /nfs/dbraw/zinc/99/38/20/1004993820.db2.gz VDKKIGVVVBVVSI-LJQANCHMSA-N 2 0 412.574 3.690 20 0 HHADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2OCC(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000513506281 1004995332 /nfs/dbraw/zinc/99/53/32/1004995332.db2.gz PLVMGCIZGNGENU-UNMCSNQZSA-N 2 0 409.574 3.544 20 0 HHADRP O=C(C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000511096706 1005017080 /nfs/dbraw/zinc/01/70/80/1005017080.db2.gz QEFIENQXTYOTQW-QGZVFWFLSA-N 2 0 409.496 3.628 20 0 HHADRP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C1=CC[NH+](C)CC1 ZINC000511246786 1005089499 /nfs/dbraw/zinc/08/94/99/1005089499.db2.gz FHCZGRJRKJECDR-QGZVFWFLSA-N 2 0 424.511 3.573 20 0 HHADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511249119 1005090828 /nfs/dbraw/zinc/09/08/28/1005090828.db2.gz KNRZMXPECHRKLU-UFYCRDLUSA-N 2 0 418.651 3.912 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266315 1005098312 /nfs/dbraw/zinc/09/83/12/1005098312.db2.gz DEQCDJNKJXRVJH-MJGOQNOKSA-N 2 0 422.564 3.691 20 0 HHADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267523 1005098771 /nfs/dbraw/zinc/09/87/71/1005098771.db2.gz IWNNZVORNUTGHO-QUCCMNQESA-N 2 0 404.574 3.552 20 0 HHADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnn(C2CCCC2)c1 ZINC000502680494 1005177474 /nfs/dbraw/zinc/17/74/74/1005177474.db2.gz AOAGUDFHIRGHSG-NQIIRXRSSA-N 2 0 409.578 3.546 20 0 HHADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000502683751 1005178859 /nfs/dbraw/zinc/17/88/59/1005178859.db2.gz FOEGUAFCNSTSEX-OAQYLSRUSA-N 2 0 401.595 3.993 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010269 1005226740 /nfs/dbraw/zinc/22/67/40/1005226740.db2.gz VYLSWQHMNUWFBH-WOJBJXKFSA-N 2 0 400.611 3.838 20 0 HHADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1Br ZINC000511655444 1005263567 /nfs/dbraw/zinc/26/35/67/1005263567.db2.gz JACZGKMYDHNECZ-UHFFFAOYSA-N 2 0 424.427 3.674 20 0 HHADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)ccn2)CC1 ZINC000514100275 1005265694 /nfs/dbraw/zinc/26/56/94/1005265694.db2.gz UYXLNFCOGFXFIY-OAQYLSRUSA-N 2 0 420.479 3.973 20 0 HHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000511667332 1005268738 /nfs/dbraw/zinc/26/87/38/1005268738.db2.gz YHNFBTRSJXFIMX-UHFFFAOYSA-N 2 0 408.590 3.665 20 0 HHADRP COc1cccc([C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[NH+](C)C)c1 ZINC000503109572 1005349565 /nfs/dbraw/zinc/34/95/65/1005349565.db2.gz VBIRPPAGGDBZSG-XMSQKQJNSA-N 2 0 412.578 3.727 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369651 /nfs/dbraw/zinc/36/96/51/1005369651.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 2 0 420.601 3.686 20 0 HHADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503385021 1005404517 /nfs/dbraw/zinc/40/45/17/1005404517.db2.gz BCYWRIRBQKNOFW-OAQYLSRUSA-N 2 0 422.683 3.646 20 0 HHADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503400025 1005408447 /nfs/dbraw/zinc/40/84/47/1005408447.db2.gz MZJGTCSBUOMMJU-DNQXCXABSA-N 2 0 412.622 3.949 20 0 HHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401707 1005408975 /nfs/dbraw/zinc/40/89/75/1005408975.db2.gz QWDIRBCFTQGISQ-GPXNEJASSA-N 2 0 412.622 3.975 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503416833 1005413950 /nfs/dbraw/zinc/41/39/50/1005413950.db2.gz AUPLLXCLBXPTBS-MQSCRBSSSA-N 2 0 414.638 3.607 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000503416429 1005414123 /nfs/dbraw/zinc/41/41/23/1005414123.db2.gz WEBTUXJCJHDHMH-UGKGYDQZSA-N 2 0 404.574 3.582 20 0 HHADRP C[N@H+](CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000503448174 1005423436 /nfs/dbraw/zinc/42/34/36/1005423436.db2.gz VIIJOTUHHGPJCU-HSZRJFAPSA-N 2 0 400.611 3.806 20 0 HHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)C2)CC1 ZINC000503476024 1005431960 /nfs/dbraw/zinc/43/19/60/1005431960.db2.gz VMVOSQOGPOADFT-LADGPHEKSA-N 2 0 412.622 3.977 20 0 HHADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[NH+](C)C)cc1 ZINC000503496495 1005437181 /nfs/dbraw/zinc/43/71/81/1005437181.db2.gz AELGUIYGNZLOBB-ZCYQVOJMSA-N 2 0 422.617 3.716 20 0 HHADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000504035724 1005537575 /nfs/dbraw/zinc/53/75/75/1005537575.db2.gz KSHNNMYWKKLPAX-UHFFFAOYSA-N 2 0 422.017 3.724 20 0 HHADRP COc1cccc([C@@H]2[C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000504402473 1005619391 /nfs/dbraw/zinc/61/93/91/1005619391.db2.gz AMVPZFBKUKPJFP-DHIUTWEWSA-N 2 0 416.610 3.733 20 0 HHADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000531075511 1005978633 /nfs/dbraw/zinc/97/86/33/1005978633.db2.gz KWDUAWJJQDGOPZ-HXUWFJFHSA-N 2 0 404.942 3.705 20 0 HHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534059911 1006031863 /nfs/dbraw/zinc/03/18/63/1006031863.db2.gz ZJHAUIZGRUBDIZ-SFHVURJKSA-N 2 0 400.792 3.707 20 0 HHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000534063794 1006035120 /nfs/dbraw/zinc/03/51/20/1006035120.db2.gz MAEQGVGZHXJFSK-SXLOBPIMSA-N 2 0 409.496 3.504 20 0 HHADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000514564965 1006038833 /nfs/dbraw/zinc/03/88/33/1006038833.db2.gz RFTGPVFJVNAKTI-HXUWFJFHSA-N 2 0 400.592 3.658 20 0 HHADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000514566390 1006039385 /nfs/dbraw/zinc/03/93/85/1006039385.db2.gz RSECXHFJLFUPSO-HSZRJFAPSA-N 2 0 410.562 3.723 20 0 HHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000514628571 1006059246 /nfs/dbraw/zinc/05/92/46/1006059246.db2.gz PXWDQUSAFCBAAN-LJQANCHMSA-N 2 0 404.352 3.952 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531227891 1006059394 /nfs/dbraw/zinc/05/93/94/1006059394.db2.gz IJYQMRVLSNMXQH-LVCYWYKZSA-N 2 0 404.986 3.745 20 0 HHADRP C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534226363 1006224186 /nfs/dbraw/zinc/22/41/86/1006224186.db2.gz KHINQDTWCTXGFX-WWMYMODYSA-N 2 0 422.976 3.788 20 0 HHADRP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000534232136 1006232161 /nfs/dbraw/zinc/23/21/61/1006232161.db2.gz FZZQTIKSEXZOBJ-HXUWFJFHSA-N 2 0 423.523 3.775 20 0 HHADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534234859 1006237156 /nfs/dbraw/zinc/23/71/56/1006237156.db2.gz HPXMCMLKKRIICK-JXFKEZNVSA-N 2 0 410.965 3.646 20 0 HHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000534238940 1006244220 /nfs/dbraw/zinc/24/42/20/1006244220.db2.gz DCHHXEMDLUCTKE-UHFFFAOYSA-N 2 0 400.542 3.729 20 0 HHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000534248772 1006255944 /nfs/dbraw/zinc/25/59/44/1006255944.db2.gz ACPJUXPNRJEORY-YDPGBSGYSA-N 2 0 424.992 3.844 20 0 HHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534249079 1006256058 /nfs/dbraw/zinc/25/60/58/1006256058.db2.gz AKYFSYOBDOIPSI-WFXMLNOXSA-N 2 0 424.992 3.988 20 0 HHADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534252792 1006261420 /nfs/dbraw/zinc/26/14/20/1006261420.db2.gz WXIITULMASAQNE-NYUBLWNDSA-N 2 0 422.976 3.740 20 0 HHADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000534253968 1006263143 /nfs/dbraw/zinc/26/31/43/1006263143.db2.gz LZGYBUIEFXMLBT-FQEVSTJZSA-N 2 0 402.514 3.507 20 0 HHADRP COc1cc2c(cc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000531597603 1006296582 /nfs/dbraw/zinc/29/65/82/1006296582.db2.gz WZVBIFFFKIRPEU-SFHVURJKSA-N 2 0 409.574 3.839 20 0 HHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000531689800 1006355833 /nfs/dbraw/zinc/35/58/33/1006355833.db2.gz KKUFYQNRLYHDFO-UHFFFAOYSA-N 2 0 421.633 3.546 20 0 HHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000531691508 1006357187 /nfs/dbraw/zinc/35/71/87/1006357187.db2.gz QPFKLHKQRRVHHA-UHFFFAOYSA-N 2 0 401.558 3.964 20 0 HHADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000531738866 1006390109 /nfs/dbraw/zinc/39/01/09/1006390109.db2.gz CLNBIIAZQBAOGW-DUXKGJEZSA-N 2 0 404.986 3.603 20 0 HHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000531851335 1006472316 /nfs/dbraw/zinc/47/23/16/1006472316.db2.gz HKRYUYCCLZOQGH-UHFFFAOYSA-N 2 0 400.567 3.516 20 0 HHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910807 1006514919 /nfs/dbraw/zinc/51/49/19/1006514919.db2.gz AQOLCXOXPYBZSX-FQEVSTJZSA-N 2 0 422.960 3.875 20 0 HHADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000531958931 1006546443 /nfs/dbraw/zinc/54/64/43/1006546443.db2.gz ZSKHGUBVCWDSMS-QZTJIDSGSA-N 2 0 421.582 3.510 20 0 HHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c1)C1CCOCC1 ZINC000532011078 1006574783 /nfs/dbraw/zinc/57/47/83/1006574783.db2.gz XWTKMFSNXJFUHE-UHFFFAOYSA-N 2 0 420.557 3.856 20 0 HHADRP CN(c1ccccc1C[NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000532106859 1006641031 /nfs/dbraw/zinc/64/10/31/1006641031.db2.gz UMRPHSRTRLOMLB-UHFFFAOYSA-N 2 0 403.574 3.752 20 0 HHADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000515763530 1006655409 /nfs/dbraw/zinc/65/54/09/1006655409.db2.gz UXNOOTRAAPMJAX-NRFANRHFSA-N 2 0 404.986 3.651 20 0 HHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCCC[NH+]3CCN(c4ncccn4)CC3)oc21 ZINC000538394070 1006663848 /nfs/dbraw/zinc/66/38/48/1006663848.db2.gz ZQOGCHMTMVJLFT-LJQANCHMSA-N 2 0 423.561 3.875 20 0 HHADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCCC1 ZINC000515821630 1006700072 /nfs/dbraw/zinc/70/00/72/1006700072.db2.gz VHFHWZDPULWGFG-GOSISDBHSA-N 2 0 407.002 3.726 20 0 HHADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000515825325 1006702104 /nfs/dbraw/zinc/70/21/04/1006702104.db2.gz OBQBLOWJGQGIDM-RTWAWAEBSA-N 2 0 400.611 3.840 20 0 HHADRP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000532197131 1006713529 /nfs/dbraw/zinc/71/35/29/1006713529.db2.gz GQLQEKWFDLKIOS-MBSDFSHPSA-N 2 0 415.603 3.719 20 0 HHADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000532199940 1006715673 /nfs/dbraw/zinc/71/56/73/1006715673.db2.gz YKAYYDFBALASLY-INIZCTEOSA-N 2 0 408.575 3.511 20 0 HHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000532248937 1006748078 /nfs/dbraw/zinc/74/80/78/1006748078.db2.gz GZWVWCTWOJXEIQ-QGZVFWFLSA-N 2 0 403.567 3.808 20 0 HHADRP Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(O[C@@H]2CCOC2)c1 ZINC000532359565 1006816993 /nfs/dbraw/zinc/81/69/93/1006816993.db2.gz KUWZGQPCAGBPGC-XMMPIXPASA-N 2 0 423.601 3.983 20 0 HHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000532446412 1006888795 /nfs/dbraw/zinc/88/87/95/1006888795.db2.gz YTTIQRPCDGLYRY-FQEVSTJZSA-N 2 0 409.574 3.836 20 0 HHADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000516159438 1006922427 /nfs/dbraw/zinc/92/24/27/1006922427.db2.gz WZAMFSOTDOJMPI-RTWAWAEBSA-N 2 0 400.611 3.982 20 0 HHADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000516204929 1006941740 /nfs/dbraw/zinc/94/17/40/1006941740.db2.gz FMAYHGVYYWDMTD-PMACEKPBSA-N 2 0 415.626 3.707 20 0 HHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506822 1006946441 /nfs/dbraw/zinc/94/64/41/1006946441.db2.gz NJSJKKUHYBUXLS-BOSCWZPRSA-N 2 0 413.587 3.904 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c[nH]nc3-c3ccccc3F)CC2)CC1 ZINC000538723627 1006999926 /nfs/dbraw/zinc/99/99/26/1006999926.db2.gz QAAQMYRCMRFMDB-UHFFFAOYSA-N 2 0 413.585 3.844 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000538741032 1007025775 /nfs/dbraw/zinc/02/57/75/1007025775.db2.gz QYOHGEDELDRYMC-QGZVFWFLSA-N 2 0 410.484 3.675 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)c(F)c1 ZINC000532628953 1007050821 /nfs/dbraw/zinc/05/08/21/1007050821.db2.gz CGGCDPDUPFEXFN-CQSZACIVSA-N 2 0 407.331 3.586 20 0 HHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccco1 ZINC000516557846 1007154908 /nfs/dbraw/zinc/15/49/08/1007154908.db2.gz IJIBMMSRTDUNLJ-IPMKNSEASA-N 2 0 402.539 3.828 20 0 HHADRP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516565762 1007160177 /nfs/dbraw/zinc/16/01/77/1007160177.db2.gz AWQNFYBNADUHLE-YKSBVNFPSA-N 2 0 400.611 3.503 20 0 HHADRP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201014 /nfs/dbraw/zinc/20/10/14/1007201014.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 2 0 412.622 3.654 20 0 HHADRP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000532912718 1007285634 /nfs/dbraw/zinc/28/56/34/1007285634.db2.gz MQLZDEZFISEFPL-UHFFFAOYSA-N 2 0 422.573 3.744 20 0 HHADRP C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000539004840 1007302914 /nfs/dbraw/zinc/30/29/14/1007302914.db2.gz XVKGJUDJCZKUMR-RTWAWAEBSA-N 2 0 421.589 3.602 20 0 HHADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882527 1007328144 /nfs/dbraw/zinc/32/81/44/1007328144.db2.gz HWDDBKFYNHQBOH-ZCNNSNEGSA-N 2 0 411.512 3.874 20 0 HHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000539070015 1007362374 /nfs/dbraw/zinc/36/23/74/1007362374.db2.gz DWRPNBXXAIKXEZ-OAHLLOKOSA-N 2 0 409.452 3.727 20 0 HHADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539075734 1007366608 /nfs/dbraw/zinc/36/66/08/1007366608.db2.gz JWQZILSUTYWUGK-HRCADAONSA-N 2 0 401.364 3.998 20 0 HHADRP C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539087435 1007376724 /nfs/dbraw/zinc/37/67/24/1007376724.db2.gz SENCIMIVCGZUSC-MTNREXPMSA-N 2 0 407.624 3.536 20 0 HHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000533038188 1007398529 /nfs/dbraw/zinc/39/85/29/1007398529.db2.gz XAROVNQFJVOUFF-QFIPXVFZSA-N 2 0 421.633 3.929 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccs1 ZINC000517101024 1007412313 /nfs/dbraw/zinc/41/23/13/1007412313.db2.gz MMRGCZUYNZTNFE-LJQANCHMSA-N 2 0 400.592 3.657 20 0 HHADRP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149389 1007462461 /nfs/dbraw/zinc/46/24/61/1007462461.db2.gz RTPVCVAFJIAXOE-FQEVSTJZSA-N 2 0 400.592 3.657 20 0 HHADRP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465282 /nfs/dbraw/zinc/46/52/82/1007465282.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 2 0 412.603 3.876 20 0 HHADRP CCC1(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000533151070 1007489634 /nfs/dbraw/zinc/48/96/34/1007489634.db2.gz XVFYWZHSKDGSGX-QHCPKHFHSA-N 2 0 415.622 3.588 20 0 HHADRP CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000533153962 1007492868 /nfs/dbraw/zinc/49/28/68/1007492868.db2.gz QMDRRGRFVIRUPN-IRLDBZIGSA-N 2 0 400.611 3.803 20 0 HHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000539202179 1007497892 /nfs/dbraw/zinc/49/78/92/1007497892.db2.gz MZFALXDOAMFSDV-SFHVURJKSA-N 2 0 401.576 3.561 20 0 HHADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539217539 1007508638 /nfs/dbraw/zinc/50/86/38/1007508638.db2.gz LQXLPBRZYWVZSL-QHCPKHFHSA-N 2 0 409.530 3.977 20 0 HHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509468 1007565170 /nfs/dbraw/zinc/56/51/70/1007565170.db2.gz VRKSAMRLYRYRFF-FZKQIMNGSA-N 2 0 400.792 3.705 20 0 HHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)c2)C1 ZINC000533252899 1007571976 /nfs/dbraw/zinc/57/19/76/1007571976.db2.gz RNVIBMNJBRLZEH-GOSISDBHSA-N 2 0 423.454 3.832 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000517332437 1007573550 /nfs/dbraw/zinc/57/35/50/1007573550.db2.gz IRFGCYMSXRSMFL-VIZSFHNOSA-N 2 0 412.622 3.981 20 0 HHADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535700431 1007736998 /nfs/dbraw/zinc/73/69/98/1007736998.db2.gz KZZGCKVDMCPPHD-WIYYLYMNSA-N 2 0 424.992 3.845 20 0 HHADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000517523059 1007741658 /nfs/dbraw/zinc/74/16/58/1007741658.db2.gz PKSDHKPCHNGUJI-IFMALSPDSA-N 2 0 416.610 3.643 20 0 HHADRP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000517525812 1007746001 /nfs/dbraw/zinc/74/60/01/1007746001.db2.gz OXDSNVVFJSMLAD-RTBURBONSA-N 2 0 404.555 3.626 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517540338 1007755168 /nfs/dbraw/zinc/75/51/68/1007755168.db2.gz WUPWEXBWEAGBOL-WOJBJXKFSA-N 2 0 400.611 3.838 20 0 HHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)CC1 ZINC000533445533 1007760160 /nfs/dbraw/zinc/76/01/60/1007760160.db2.gz HKVMCSDRVRGLHP-JOCHJYFZSA-N 2 0 403.574 3.602 20 0 HHADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(Br)c1 ZINC000539499414 1007811062 /nfs/dbraw/zinc/81/10/62/1007811062.db2.gz HCGICHJBIPULEC-IBGZPJMESA-N 2 0 421.358 3.976 20 0 HHADRP Cc1cnn([C@@H]2CC[NH+](Cc3cccc(C[N@H+]4CC[C@@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014520 1008103225 /nfs/dbraw/zinc/10/32/25/1008103225.db2.gz MNOPFRFOHOOKGS-DNQXCXABSA-N 2 0 404.562 3.590 20 0 HHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539824400 1008119322 /nfs/dbraw/zinc/11/93/22/1008119322.db2.gz CHBHLSBAUFELER-UHFFFAOYSA-N 2 0 418.532 3.844 20 0 HHADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)CC1CC1 ZINC000540050277 1008259456 /nfs/dbraw/zinc/25/94/56/1008259456.db2.gz ORPGRFMGFFPCQW-SFHVURJKSA-N 2 0 400.567 3.557 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)ccn1 ZINC000540142488 1008309596 /nfs/dbraw/zinc/30/95/96/1008309596.db2.gz HDUNPHOKBWUNAT-SFHVURJKSA-N 2 0 420.351 3.788 20 0 HHADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000518444995 1008309686 /nfs/dbraw/zinc/30/96/86/1008309686.db2.gz NROFPCCYJCWQCF-IBGZPJMESA-N 2 0 414.619 3.780 20 0 HHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)ccn1 ZINC000540162358 1008317238 /nfs/dbraw/zinc/31/72/38/1008317238.db2.gz CQAQEFUJHGLYQF-GOSISDBHSA-N 2 0 420.351 3.788 20 0 HHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000540170740 1008320867 /nfs/dbraw/zinc/32/08/67/1008320867.db2.gz VJVKMUDQIKJADL-INIZCTEOSA-N 2 0 400.592 3.690 20 0 HHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000540172728 1008321997 /nfs/dbraw/zinc/32/19/97/1008321997.db2.gz UMHYAPWPOWZWIK-OAGGEKHMSA-N 2 0 401.364 3.998 20 0 HHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000540176497 1008323513 /nfs/dbraw/zinc/32/35/13/1008323513.db2.gz ROWNZWDKYXEIMV-FQEVSTJZSA-N 2 0 421.463 3.654 20 0 HHADRP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000518644513 1008377106 /nfs/dbraw/zinc/37/71/06/1008377106.db2.gz ZAWSBGQMPONVMR-QHCPKHFHSA-N 2 0 409.549 3.602 20 0 HHADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000540321663 1008379700 /nfs/dbraw/zinc/37/97/00/1008379700.db2.gz TWKWLGHJKDPJGD-FUHIMQAGSA-N 2 0 417.500 3.718 20 0 HHADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000540327943 1008381615 /nfs/dbraw/zinc/38/16/15/1008381615.db2.gz YNVFZUHEVAFWLJ-MZKRTTBSSA-N 2 0 409.574 3.904 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)c1ccccc1O2 ZINC000540475003 1008446021 /nfs/dbraw/zinc/44/60/21/1008446021.db2.gz JHRRVIDUPKKYJF-HSZRJFAPSA-N 2 0 406.574 3.624 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCC(=O)N1Cc3ccccc3C1)c1ccccc1O2 ZINC000540496155 1008455331 /nfs/dbraw/zinc/45/53/31/1008455331.db2.gz XHADPLYDTDNPQL-QHCPKHFHSA-N 2 0 419.569 3.887 20 0 HHADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000519295134 1008706784 /nfs/dbraw/zinc/70/67/84/1008706784.db2.gz HUECXDJZICKDTD-XMMPIXPASA-N 2 0 408.590 3.604 20 0 HHADRP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000543139460 1008712951 /nfs/dbraw/zinc/71/29/51/1008712951.db2.gz DTLOAKITUSQTMM-HXUWFJFHSA-N 2 0 411.512 3.690 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000519304996 1008717540 /nfs/dbraw/zinc/71/75/40/1008717540.db2.gz ZLEUIRAANWDQLP-NRFANRHFSA-N 2 0 412.578 3.799 20 0 HHADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000549204624 1008776721 /nfs/dbraw/zinc/77/67/21/1008776721.db2.gz KWNFZMZQUVNVFM-PKTZIBPZSA-N 2 0 412.622 3.660 20 0 HHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000543237223 1008805746 /nfs/dbraw/zinc/80/57/46/1008805746.db2.gz VGIAJXFEURJNSL-UHFFFAOYSA-N 2 0 405.424 3.937 20 0 HHADRP CC[NH+](CC)CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000519495720 1008867442 /nfs/dbraw/zinc/86/74/42/1008867442.db2.gz GWBBQNDHPRDNAB-UHFFFAOYSA-N 2 0 422.658 3.564 20 0 HHADRP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)o2)cc1C ZINC000543520286 1009112036 /nfs/dbraw/zinc/11/20/36/1009112036.db2.gz XOMHMVZQVXZGOP-HXUWFJFHSA-N 2 0 411.594 3.764 20 0 HHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519988644 1009136068 /nfs/dbraw/zinc/13/60/68/1009136068.db2.gz DKDNBTVKORILME-XMMPIXPASA-N 2 0 408.590 3.815 20 0 HHADRP Cn1ccc([C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000543594506 1009200039 /nfs/dbraw/zinc/20/00/39/1009200039.db2.gz SPZNGXSQFZVIGD-HSZRJFAPSA-N 2 0 412.965 3.936 20 0 HHADRP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cncnc2)[C@H](c2ccccc2)C1 ZINC000543603671 1009208634 /nfs/dbraw/zinc/20/86/34/1009208634.db2.gz JVICSMQGMSJGPA-LOSJGSFVSA-N 2 0 401.558 3.534 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585077 1009211163 /nfs/dbraw/zinc/21/11/63/1009211163.db2.gz UWRUYVUQIYZINO-HKTJVKLFSA-N 2 0 420.601 3.636 20 0 HHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549585080 1009211234 /nfs/dbraw/zinc/21/12/34/1009211234.db2.gz UWRUYVUQIYZINO-YFJHUXEUSA-N 2 0 420.601 3.636 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000543639401 1009242493 /nfs/dbraw/zinc/24/24/93/1009242493.db2.gz ITULZIVSARFXLX-PMACEKPBSA-N 2 0 400.611 3.790 20 0 HHADRP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[NH+]1CCc2ccccc2C1 ZINC000520106741 1009263721 /nfs/dbraw/zinc/26/37/21/1009263721.db2.gz CWDPLFHLZXZWLY-AUSIDOKSSA-N 2 0 409.549 3.601 20 0 HHADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000543773371 1009341449 /nfs/dbraw/zinc/34/14/49/1009341449.db2.gz IKQFHTXRKWAIQV-NFBKMPQASA-N 2 0 409.530 3.977 20 0 HHADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775953 1009344151 /nfs/dbraw/zinc/34/41/51/1009344151.db2.gz SJMTUURQWDAFJF-LAUBAEHRSA-N 2 0 414.546 3.520 20 0 HHADRP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000549822491 1009432389 /nfs/dbraw/zinc/43/23/89/1009432389.db2.gz SWNSCZMAPKVZKG-VWLOTQADSA-N 2 0 423.601 3.934 20 0 HHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000520406091 1009536201 /nfs/dbraw/zinc/53/62/01/1009536201.db2.gz ZMGJJCSPYSMWTN-WOJBJXKFSA-N 2 0 406.590 3.657 20 0 HHADRP COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544072041 1009676059 /nfs/dbraw/zinc/67/60/59/1009676059.db2.gz PSBDUGNPZZDJKW-NLWGTHIKSA-N 2 0 411.384 3.574 20 0 HHADRP C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000520621598 1009698893 /nfs/dbraw/zinc/69/88/93/1009698893.db2.gz MQAHFPPHEDGKPD-OAHLLOKOSA-N 2 0 415.409 3.592 20 0 HHADRP COc1cccc(NC(=O)[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)c2ccccc2)c1 ZINC000520674033 1009745423 /nfs/dbraw/zinc/74/54/23/1009745423.db2.gz XJZUDIPCWICGSN-OAQYLSRUSA-N 2 0 413.587 3.792 20 0 HHADRP CC[C@@H]1CN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000546853501 1009814694 /nfs/dbraw/zinc/81/46/94/1009814694.db2.gz BADZJHYBHFPKEH-OAQYLSRUSA-N 2 0 424.593 3.587 20 0 HHADRP COCCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550263073 1009815049 /nfs/dbraw/zinc/81/50/49/1009815049.db2.gz VQSDHBARLRGKQI-XMMPIXPASA-N 2 0 424.585 3.730 20 0 HHADRP O=C(C[NH2+][C@H](c1cccs1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544397598 1010017838 /nfs/dbraw/zinc/01/78/38/1010017838.db2.gz MSPNLZFGYXYTKX-NRFANRHFSA-N 2 0 401.601 3.976 20 0 HHADRP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000520985372 1010025153 /nfs/dbraw/zinc/02/51/53/1010025153.db2.gz UZHYYIMCLVMIDK-QFIPXVFZSA-N 2 0 416.610 3.665 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000521070022 1010087164 /nfs/dbraw/zinc/08/71/64/1010087164.db2.gz BTHBYTGCYOPHCU-UHFFFAOYSA-N 2 0 402.970 3.675 20 0 HHADRP CC[N@H+](Cc1ccc(-c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)cc1)C1CC1 ZINC000547249113 1010196348 /nfs/dbraw/zinc/19/63/48/1010196348.db2.gz IYRGKXJTOLQCDI-UHFFFAOYSA-N 2 0 418.545 3.535 20 0 HHADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cccc(N3CCOCC3)c1)c1ccccc1O2 ZINC000550855914 1010219574 /nfs/dbraw/zinc/21/95/74/1010219574.db2.gz DWDJDURZCJVXOD-QHCPKHFHSA-N 2 0 407.558 3.601 20 0 HHADRP CCCCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000544596024 1010221793 /nfs/dbraw/zinc/22/17/93/1010221793.db2.gz IJVHUXIZIJGUAM-UHFFFAOYSA-N 2 0 403.611 3.724 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)CC3 ZINC000547318669 1010252305 /nfs/dbraw/zinc/25/23/05/1010252305.db2.gz LKHHCHKXZDIJMD-LJQANCHMSA-N 2 0 410.606 3.574 20 0 HHADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000544638002 1010262295 /nfs/dbraw/zinc/26/22/95/1010262295.db2.gz SWRFASPXZQLBHY-UWJYYQICSA-N 2 0 407.002 3.849 20 0 HHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccc(F)cc2)CC1 ZINC000550939722 1010268673 /nfs/dbraw/zinc/26/86/73/1010268673.db2.gz LXHYHAGCUXKKRH-RUZDIDTESA-N 3 0 418.645 3.995 20 0 HHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547426729 1010299907 /nfs/dbraw/zinc/29/99/07/1010299907.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 2 0 408.590 3.566 20 0 HHADRP CS(=O)(=O)C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000550997732 1010307876 /nfs/dbraw/zinc/30/78/76/1010307876.db2.gz PEHYHLFWTXZYIS-DEOSSOPVSA-N 2 0 412.599 3.862 20 0 HHADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005383 1010312049 /nfs/dbraw/zinc/31/20/49/1010312049.db2.gz KVNVOLXDKFEXAD-XMMPIXPASA-N 2 0 409.574 3.852 20 0 HHADRP CN1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005622 1010312716 /nfs/dbraw/zinc/31/27/16/1010312716.db2.gz MRXWJOLSVUTPPF-FTJBHMTQSA-N 2 0 406.618 3.619 20 0 HHADRP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511431 1010334778 /nfs/dbraw/zinc/33/47/78/1010334778.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 2 0 412.647 3.537 20 0 HHADRP COc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000521509399 1010423782 /nfs/dbraw/zinc/42/37/82/1010423782.db2.gz CAXBREXZYUGFTN-ZEQRLZLVSA-N 2 0 424.589 3.743 20 0 HHADRP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547827900 1010441010 /nfs/dbraw/zinc/44/10/10/1010441010.db2.gz YQXUEGXPHCBEMB-FYYLOGMGSA-N 2 0 420.601 3.590 20 0 HHADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000551282582 1010492563 /nfs/dbraw/zinc/49/25/63/1010492563.db2.gz AFAMXWPSYVKKSH-LJQANCHMSA-N 2 0 422.573 3.994 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000521680231 1010545286 /nfs/dbraw/zinc/54/52/86/1010545286.db2.gz WXXHRRQOGSFDRR-OAQYLSRUSA-N 2 0 420.960 3.855 20 0 HHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000521680230 1010545574 /nfs/dbraw/zinc/54/55/74/1010545574.db2.gz WXXHRRQOGSFDRR-NRFANRHFSA-N 2 0 420.960 3.855 20 0 HHADRP C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000521797477 1010626015 /nfs/dbraw/zinc/62/60/15/1010626015.db2.gz UUTYCWNQDCIETQ-OTWHNJEPSA-N 2 0 400.567 3.701 20 0 HHADRP COc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000551532947 1010643268 /nfs/dbraw/zinc/64/32/68/1010643268.db2.gz GNOFRDXFFKFZAD-SFHVURJKSA-N 2 0 402.970 3.997 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000521857866 1010666931 /nfs/dbraw/zinc/66/69/31/1010666931.db2.gz BATKICGRGCVPDU-XMMPIXPASA-N 2 0 406.574 3.804 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000545189721 1010677860 /nfs/dbraw/zinc/67/78/60/1010677860.db2.gz WGSBXQQKQOILHH-RXFWQSSRSA-N 2 0 418.585 3.612 20 0 HHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC3 ZINC000545189720 1010678298 /nfs/dbraw/zinc/67/82/98/1010678298.db2.gz WGSBXQQKQOILHH-IBVKSMDESA-N 2 0 418.585 3.612 20 0 HHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC000521875437 1010679606 /nfs/dbraw/zinc/67/96/06/1010679606.db2.gz BOOCRRFIEKHXHC-PZJWPPBQSA-N 2 0 407.002 3.726 20 0 HHADRP Cc1cccc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000551624795 1010705336 /nfs/dbraw/zinc/70/53/36/1010705336.db2.gz HWHCUNHRPSHNAL-ZJSPYRCASA-N 2 0 417.597 3.906 20 0 HHADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000548815025 1010736680 /nfs/dbraw/zinc/73/66/80/1010736680.db2.gz LBDRAGZLSMTSFG-LEWJYISDSA-N 2 0 418.969 3.553 20 0 HHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000522048953 1010778017 /nfs/dbraw/zinc/77/80/17/1010778017.db2.gz HSRBPTIWPJAPJF-GMAHTHKFSA-N 2 0 414.638 3.751 20 0 HHADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000522199452 1010861703 /nfs/dbraw/zinc/86/17/03/1010861703.db2.gz SWBGUGADHMZZRJ-HSZRJFAPSA-N 2 0 416.610 3.786 20 0 HHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000522309933 1010921572 /nfs/dbraw/zinc/92/15/72/1010921572.db2.gz OSTDQYXICSDRAV-UHFFFAOYSA-N 2 0 422.617 3.775 20 0 HHADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)ccc1F ZINC000522379995 1010969155 /nfs/dbraw/zinc/96/91/55/1010969155.db2.gz URXBSUBIVNGOFB-LJQANCHMSA-N 2 0 401.501 3.555 20 0 HHADRP CC1CCC([NH+]2CCN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)CC1 ZINC000522419775 1010996625 /nfs/dbraw/zinc/99/66/25/1010996625.db2.gz FWEMYNABHDVDGB-UHFFFAOYSA-N 2 0 418.651 3.866 20 0 HHADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000522428045 1011002747 /nfs/dbraw/zinc/00/27/47/1011002747.db2.gz YDVNOHIKFAVSDD-FQEVSTJZSA-N 2 0 400.611 3.981 20 0 HHADRP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000522468863 1011031128 /nfs/dbraw/zinc/03/11/28/1011031128.db2.gz BKFDEOFOCORRGS-UHFFFAOYSA-N 2 0 400.611 3.984 20 0 HHADRP CC[C@@H](C)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522663484 1011146347 /nfs/dbraw/zinc/14/63/47/1011146347.db2.gz MCVTUFFYSBLGMR-OAQYLSRUSA-N 2 0 409.578 3.604 20 0 HHADRP CC(C)c1nc2cc(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000522782229 1011215485 /nfs/dbraw/zinc/21/54/85/1011215485.db2.gz MJACISZOVQHCTN-UHFFFAOYSA-N 2 0 422.533 3.680 20 0 HHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(Nc2ccccc2)c1 ZINC000522816206 1011250024 /nfs/dbraw/zinc/25/00/24/1011250024.db2.gz WPIFMUCOINAGPS-UHFFFAOYSA-N 2 0 415.541 3.767 20 0 HHADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000522838965 1011276302 /nfs/dbraw/zinc/27/63/02/1011276302.db2.gz BQQBCJJECCDPFT-UHFFFAOYSA-N 2 0 402.583 3.889 20 0 HHADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000536157356 1011282969 /nfs/dbraw/zinc/28/29/69/1011282969.db2.gz GPBOUYSGNBCKSC-NQIIRXRSSA-N 2 0 416.635 3.670 20 0 HHADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522865925 1011306994 /nfs/dbraw/zinc/30/69/94/1011306994.db2.gz LTVWWCXDXYQHIT-JOCHJYFZSA-N 2 0 424.614 3.524 20 0 HHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 ZINC000540989672 1011622945 /nfs/dbraw/zinc/62/29/45/1011622945.db2.gz UJIQUCWHYSMVDH-NRFANRHFSA-N 2 0 403.521 3.644 20 0 HHADRP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000541031929 1011666081 /nfs/dbraw/zinc/66/60/81/1011666081.db2.gz JORBYQKNSJTHHP-SIKLNZKXSA-N 2 0 404.599 3.928 20 0 HHADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523188842 1011673085 /nfs/dbraw/zinc/67/30/85/1011673085.db2.gz GPWXKISPHUVADR-QRVBRYPASA-N 2 0 406.640 3.626 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000523192404 1011678084 /nfs/dbraw/zinc/67/80/84/1011678084.db2.gz RMCIOSYEKWKHBS-QUCCMNQESA-N 2 0 418.607 3.935 20 0 HHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000536521054 1011712005 /nfs/dbraw/zinc/71/20/05/1011712005.db2.gz YONWWJHFZOPCCH-UYAOXDASSA-N 2 0 404.574 3.683 20 0 HHADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000523313790 1011789196 /nfs/dbraw/zinc/78/91/96/1011789196.db2.gz XIHDUNJBHQOTDI-OAQYLSRUSA-N 2 0 415.969 3.698 20 0 HHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(OCC(F)F)cc3)CC2)CC1 ZINC000536666639 1011818901 /nfs/dbraw/zinc/81/89/01/1011818901.db2.gz PEACJNNHRBYGNI-UHFFFAOYSA-N 2 0 409.565 3.959 20 0 HHADRP CN(C)C(=O)COc1ccccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536667391 1011820590 /nfs/dbraw/zinc/82/05/90/1011820590.db2.gz BMLJMYDTNXMSMS-UHFFFAOYSA-N 2 0 421.585 3.642 20 0 HHADRP CC[NH+](CC)CCCC1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000541167108 1011838350 /nfs/dbraw/zinc/83/83/50/1011838350.db2.gz CUHKOAWKQKNSPM-UHFFFAOYSA-N 2 0 414.638 3.559 20 0 HHADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000536697890 1011866272 /nfs/dbraw/zinc/86/62/72/1011866272.db2.gz IHXLOTLWKXCQBP-UHFFFAOYSA-N 2 0 404.599 3.540 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000536747414 1011934688 /nfs/dbraw/zinc/93/46/88/1011934688.db2.gz XAKKATZSCZNQIG-NRFANRHFSA-N 2 0 415.607 3.742 20 0 HHADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccc2C1 ZINC000551813862 1011971874 /nfs/dbraw/zinc/97/18/74/1011971874.db2.gz KAPQSZYIOYLLHE-VWLOTQADSA-N 2 0 407.558 3.743 20 0 HHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067264 /nfs/dbraw/zinc/06/72/64/1012067264.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 2 0 411.634 3.912 20 0 HHADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057908 1012075322 /nfs/dbraw/zinc/07/53/22/1012075322.db2.gz MJTPEAVEYGAADN-PKTZIBPZSA-N 2 0 408.030 3.736 20 0 HHADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000536857403 1012090926 /nfs/dbraw/zinc/09/09/26/1012090926.db2.gz LBNUFOJDVWHYEE-MRXNPFEDSA-N 2 0 407.480 3.718 20 0 HHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000536859285 1012093143 /nfs/dbraw/zinc/09/31/43/1012093143.db2.gz SZTUQVQVXKHWQN-ULQDDVLXSA-N 2 0 411.974 3.545 20 0 HHADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000536863138 1012099283 /nfs/dbraw/zinc/09/92/83/1012099283.db2.gz MEBRRRUTZZIKRM-QZTJIDSGSA-N 2 0 411.993 3.923 20 0 HHADRP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388566 1012111048 /nfs/dbraw/zinc/11/10/48/1012111048.db2.gz IYJIXXWCHDOOLV-HSZRJFAPSA-N 2 0 402.542 3.530 20 0 HHADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000523616083 1012188380 /nfs/dbraw/zinc/18/83/80/1012188380.db2.gz OKQKYBIYHPQMEU-RBBKRZOGSA-N 2 0 415.626 3.588 20 0 HHADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000541542391 1012326736 /nfs/dbraw/zinc/32/67/36/1012326736.db2.gz UWFCTFMKOHGVBC-URXFXBBRSA-N 2 0 413.631 3.932 20 0 HHADRP CC(=O)Nc1ccc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1 ZINC000537022831 1012329035 /nfs/dbraw/zinc/32/90/35/1012329035.db2.gz ZZXNTSXOTPBANX-BGYRXZFFSA-N 2 0 409.574 3.944 20 0 HHADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000537034651 1012349945 /nfs/dbraw/zinc/34/99/45/1012349945.db2.gz QMKMZFUMLNXPCM-UHFFFAOYSA-N 2 0 423.026 3.833 20 0 HHADRP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599469 1012392157 /nfs/dbraw/zinc/39/21/57/1012392157.db2.gz FVAOWGDOJIQWDY-MPGHIAIKSA-N 2 0 401.378 3.976 20 0 HHADRP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000552420892 1012437916 /nfs/dbraw/zinc/43/79/16/1012437916.db2.gz YAOFOFDUAIEQIW-DWLFOUALSA-N 2 0 419.560 3.913 20 0 HHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000552579021 1012584393 /nfs/dbraw/zinc/58/43/93/1012584393.db2.gz PNIVMQJYYBAWLK-PKTZIBPZSA-N 2 0 406.014 3.662 20 0 HHADRP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H](c3ccccc3)c3cncnc3)CC2)cc1 ZINC000541746652 1012604787 /nfs/dbraw/zinc/60/47/87/1012604787.db2.gz KRVMLWLDHZJSAH-SANMLTNESA-N 2 0 415.585 3.754 20 0 HHADRP CCOc1c(Cl)cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000541762104 1012624542 /nfs/dbraw/zinc/62/45/42/1012624542.db2.gz GDANVXWELDVBMD-UHFFFAOYSA-N 2 0 410.002 3.597 20 0 HHADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)c1ccco1 ZINC000523937546 1012670313 /nfs/dbraw/zinc/67/03/13/1012670313.db2.gz UEYDAWCXQBLVNB-RBUKOAKNSA-N 2 0 402.539 3.700 20 0 HHADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000537293386 1012751746 /nfs/dbraw/zinc/75/17/46/1012751746.db2.gz QECHETUXIGUJNH-IBGZPJMESA-N 2 0 400.380 3.903 20 0 HHADRP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000541918684 1012777497 /nfs/dbraw/zinc/77/74/97/1012777497.db2.gz JKABYYWDWKXXQO-YJBOKZPZSA-N 2 0 404.938 3.775 20 0 HHADRP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000524135680 1012920318 /nfs/dbraw/zinc/92/03/18/1012920318.db2.gz NXWIYMGSSHLPSO-XJUOHMSHSA-N 2 0 400.611 3.801 20 0 HHADRP CCc1ccc([C@@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)[NH+](C)C)cc1 ZINC000552923950 1012923730 /nfs/dbraw/zinc/92/37/30/1012923730.db2.gz SZZVPGZVFAGEOM-RUZDIDTESA-N 2 0 422.617 3.812 20 0 HHADRP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000524139951 1012925685 /nfs/dbraw/zinc/92/56/85/1012925685.db2.gz HKMIPAQMOAPMKM-SRUXOGRHSA-N 2 0 400.611 3.944 20 0 HHADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266288 1071831094 /nfs/dbraw/zinc/83/10/94/1071831094.db2.gz DICARIGBNRFAEE-ZEQRLZLVSA-N 2 0 421.585 3.561 20 0 HHADRP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001168271200 1072021893 /nfs/dbraw/zinc/02/18/93/1072021893.db2.gz GMDHWWUUQGIMDC-KYPHJKQUSA-N 2 0 410.602 3.623 20 0 HHADRP Cn1nccc1[C@@H]1CCC[NH+](CCCCCC[N@H+]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000729815092 1072129784 /nfs/dbraw/zinc/12/97/84/1072129784.db2.gz NUIIQKIVJOUFQN-FGZHOGPDSA-N 2 0 412.626 3.773 20 0 HHADRP CCOc1cc2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c2cc1OCC ZINC000488241532 1072156424 /nfs/dbraw/zinc/15/64/24/1072156424.db2.gz KUZSIATXNDLSRH-UHFFFAOYSA-N 2 0 413.562 3.971 20 0 HHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000586855805 1072477229 /nfs/dbraw/zinc/47/72/29/1072477229.db2.gz RSVLONAAAHZNHM-HXUWFJFHSA-N 2 0 400.611 3.708 20 0 HHADRP CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000729842453 1072482597 /nfs/dbraw/zinc/48/25/97/1072482597.db2.gz DULQNTQRIMJTCN-VFCOFNOGSA-N 2 0 422.573 3.601 20 0 HHADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000586870054 1072494082 /nfs/dbraw/zinc/49/40/82/1072494082.db2.gz GYMGDAZPARVBFL-HSZRJFAPSA-N 2 0 412.622 3.852 20 0 HHADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)CC1 ZINC001168321454 1072501670 /nfs/dbraw/zinc/50/16/70/1072501670.db2.gz HMCVCEUPPJYUHL-AHAKQSSWSA-N 2 0 418.585 3.777 20 0 HHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000537705064 1072618670 /nfs/dbraw/zinc/61/86/70/1072618670.db2.gz CHMOTNPYRQSHPV-SXLOBPIMSA-N 2 0 420.395 3.529 20 0 HHADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C(F)(F)C1 ZINC001168357930 1072642888 /nfs/dbraw/zinc/64/28/88/1072642888.db2.gz MANACCVPVQENKS-FQEVSTJZSA-N 2 0 401.542 3.733 20 0 HHADRP Cc1cc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cnc1Cl ZINC000760669145 1072655273 /nfs/dbraw/zinc/65/52/73/1072655273.db2.gz HXCIWDZGZWFJIV-UHFFFAOYSA-N 2 0 403.954 3.823 20 0 HHADRP CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870378 1072858165 /nfs/dbraw/zinc/85/81/65/1072858165.db2.gz RUADQYDYWCAYCI-LFRSYBKYSA-N 2 0 421.585 3.763 20 0 HHADRP Cc1cc2c(CC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)csc2s1 ZINC001142613688 1072998159 /nfs/dbraw/zinc/99/81/59/1072998159.db2.gz YJWWHQBUWPDWNY-UHFFFAOYSA-N 2 0 414.600 3.537 20 0 HHADRP [NH3+][C@@H](Cc1cncn1C1CC[NH+](CC2CC2)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001168364248 1073006031 /nfs/dbraw/zinc/00/60/31/1073006031.db2.gz AKTHJRJJMOGBLW-DEOSSOPVSA-N 2 0 417.557 3.592 20 0 HHADRP CCOc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(Cl)c1O ZINC000572196315 1073225203 /nfs/dbraw/zinc/22/52/03/1073225203.db2.gz RMMZTYVXALTVQI-OAQYLSRUSA-N 2 0 417.981 3.913 20 0 HHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2ccccc21 ZINC000555236486 1073269486 /nfs/dbraw/zinc/26/94/86/1073269486.db2.gz YISNDSGOLPGZBJ-UBFVSLLYSA-N 2 0 421.585 3.747 20 0 HHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228032 1073273922 /nfs/dbraw/zinc/27/39/22/1073273922.db2.gz TVQONZCHQHWFSI-OUFMZXHOSA-N 2 0 402.579 3.895 20 0 HHADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc(Br)c(Cl)s2)CC1 ZINC000555390563 1073401288 /nfs/dbraw/zinc/40/12/88/1073401288.db2.gz LXKYBISINUVFNW-UHFFFAOYSA-N 2 0 401.761 3.923 20 0 HHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000555592014 1073647365 /nfs/dbraw/zinc/64/73/65/1073647365.db2.gz IEYZRKLRVDVSRK-UHFFFAOYSA-N 2 0 412.887 3.838 20 0 HHADRP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612596 1073675358 /nfs/dbraw/zinc/67/53/58/1073675358.db2.gz VJRZRSLGIKRDBR-QHCPKHFHSA-N 2 0 417.553 3.959 20 0 HHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711887 1074501638 /nfs/dbraw/zinc/50/16/38/1074501638.db2.gz BKEYFARYTQHYQL-IBGZPJMESA-N 2 0 414.619 3.857 20 0 HHADRP CC[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000593500090 1075204830 /nfs/dbraw/zinc/20/48/30/1075204830.db2.gz LSINLJXYZBAQJB-QHCPKHFHSA-N 2 0 424.589 3.976 20 0 HHADRP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccccc1 ZINC000594193143 1075270719 /nfs/dbraw/zinc/27/07/19/1075270719.db2.gz FVBHEZOLNLMLKM-JOCHJYFZSA-N 2 0 401.595 3.609 20 0 HHADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597205393 1075634018 /nfs/dbraw/zinc/63/40/18/1075634018.db2.gz TYPCWQWUYFHPGG-LEWJYISDSA-N 2 0 402.583 3.760 20 0 HHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000602277250 1075725578 /nfs/dbraw/zinc/72/55/78/1075725578.db2.gz HBHZQOJYYPOYFC-SFHVURJKSA-N 2 0 418.379 3.967 20 0 HHADRP COc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000602277339 1075725845 /nfs/dbraw/zinc/72/58/45/1075725845.db2.gz KPQKEXVEBHUFSD-JOCHJYFZSA-N 2 0 409.574 3.532 20 0 HHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164619702 719011928 /nfs/dbraw/zinc/01/19/28/719011928.db2.gz WVAPIRVRPSVBTR-VGOFRKELSA-N 2 0 405.970 3.615 20 0 HHADRP Fc1cccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656431 719297294 /nfs/dbraw/zinc/29/72/94/719297294.db2.gz XHKLKXFRCRMWFF-UPVQGACJSA-N 2 0 410.537 3.866 20 0 HHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679614 719649269 /nfs/dbraw/zinc/64/92/69/719649269.db2.gz IRRLQSDUFKBNKX-JOCHJYFZSA-N 2 0 410.610 3.690 20 0 HHADRP Cc1cc(C)[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683367 719657303 /nfs/dbraw/zinc/65/73/03/719657303.db2.gz VDPXJRDTRVSDCT-NRFANRHFSA-N 2 0 420.601 3.792 20 0 HHADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164736151 720586770 /nfs/dbraw/zinc/58/67/70/720586770.db2.gz DYYKXPZLTZCQND-UHFFFAOYSA-N 2 0 416.573 3.690 20 0 HHADRP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001165019578 721802531 /nfs/dbraw/zinc/80/25/31/721802531.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 2 0 406.578 3.517 20 0 HHADRP